*HEADER    TOXIN                                   17-APR-17   5NPN              
*TITLE     REFINED STRUCTURE OF CYTOTOXIN I                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOTOXIN 1;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CYTOTOXIN I,CTI                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: NAJA OXIANA;                                    
*SOURCE   3 ORGANISM_COMMON: CENTRAL ASIAN COBRA;                                
*SOURCE   4 ORGANISM_TAXID: 8657                                                 
*KEYWDS    TOXIN, COBRA VENOM, CYTOLYTIC PEPTIDE, THRE-FINGER FOLDED PROTEIN     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.A.DUBINNYI,P.V.DUBOVSKII,A.S.ARSENIEV                               
*REVDAT   1   04-APR-18 5NPN    0                                                
# Restraints file 1: constr.tar.gz
constraints/  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LEU   1           H        LEU   1  -5.195  10.260  -4.552
    2    HA   LEU   1           HA       LEU   1  -6.931   8.568  -6.045
    3    HB2  LEU   1          1HB       LEU   1  -4.076   8.781  -5.421
    4    HB3  LEU   1          2HB       LEU   1  -4.644   7.127  -5.542
    5    HG   LEU   1           HG       LEU   1  -5.527   7.584  -7.798
    6   HD11  LEU   1          1HD1      LEU   1  -4.101  10.125  -8.159
    7   HD12  LEU   1          2HD1      LEU   1  -5.710   9.611  -8.726
    8   HD13  LEU   1          3HD1      LEU   1  -5.505  10.228  -7.070
    9   HD21  LEU   1          1HD2      LEU   1  -3.562   6.821  -8.478
   10   HD22  LEU   1          2HD2      LEU   1  -2.913   8.479  -8.454
   11   HD23  LEU   1          3HD2      LEU   1  -2.785   7.451  -7.006
   12    H    LYS   2           H        LYS   2  -7.047   6.135  -5.504
   13    HA   LYS   2           HA       LYS   2  -7.565   5.895  -2.620
   14    HB2  LYS   2          1HB       LYS   2  -9.065   4.693  -4.964
   15    HB3  LYS   2          2HB       LYS   2  -9.323   4.233  -3.295
   16    HG2  LYS   2          1HG       LYS   2 -10.731   5.991  -3.047
   17    HG3  LYS   2          2HG       LYS   2  -9.392   7.086  -3.329
   18    HD2  LYS   2          1HD       LYS   2 -10.342   7.713  -5.286
   19    HD3  LYS   2          2HD       LYS   2 -10.123   6.086  -5.899
   20    HE2  LYS   2          1HE       LYS   2 -12.307   5.392  -4.987
   21    HE3  LYS   2          2HE       LYS   2 -12.515   6.946  -4.204
   22    HZ1  LYS   2          1HZ       LYS   2 -13.683   6.879  -6.272
   23    HZ2  LYS   2          2HZ       LYS   2 -12.473   7.968  -6.392
   24    HZ3  LYS   2          3HZ       LYS   2 -12.328   6.506  -7.104
   25    H    CYS   3           H        CYS   3  -6.987   3.913  -1.592
   26    HA   CYS   3           HA       CYS   3  -5.313   2.176  -3.245
   27    HB2  CYS   3          1HB       CYS   3  -4.541   2.883  -0.410
   28    HB3  CYS   3          2HB       CYS   3  -3.575   2.100  -1.646
   29    H    ASN   4           H        ASN   4  -5.298  -0.069  -2.496
   30    HA   ASN   4           HA       ASN   4  -7.717  -0.680  -1.077
   31    HB2  ASN   4          1HB       ASN   4  -5.693  -2.696  -2.141
   32    HB3  ASN   4          2HB       ASN   4  -7.411  -2.932  -1.898
   33   HD21  ASN   4          1HD2      ASN   4  -6.141  -3.529  -4.271
   34   HD22  ASN   4          2HD2      ASN   4  -6.686  -2.474  -5.532
   35    H    LYS   5           H        LYS   5  -7.608  -2.437   0.694
   36    HA   LYS   5           HA       LYS   5  -5.325  -1.877   2.407
   37    HB2  LYS   5          1HB       LYS   5  -7.963  -3.258   2.990
   38    HB3  LYS   5          2HB       LYS   5  -6.723  -2.887   4.171
   39    HG2  LYS   5          1HG       LYS   5  -8.444  -0.946   2.588
   40    HG3  LYS   5          2HG       LYS   5  -8.302  -1.092   4.328
   41    HD2  LYS   5          1HD       LYS   5  -6.153  -0.070   2.416
   42    HD3  LYS   5          2HD       LYS   5  -7.061   0.889   3.567
   43    HE2  LYS   5          1HE       LYS   5  -5.184  -1.402   4.323
   44    HE3  LYS   5          2HE       LYS   5  -4.752   0.295   4.382
   45    HZ1  LYS   5          1HZ       LYS   5  -5.618  -0.788   6.478
   46    HZ2  LYS   5          2HZ       LYS   5  -6.245   0.667   6.085
   47    HZ3  LYS   5          3HZ       LYS   5  -7.104  -0.694   5.808
   48    H    LEU   6           H        LEU   6  -5.137  -4.148   3.957
   49    HA   LEU   6           HA       LEU   6  -3.412  -5.726   2.602
   50    HB2  LEU   6          1HB       LEU   6  -4.035  -5.579   5.100
   51    HB3  LEU   6          2HB       LEU   6  -5.206  -6.834   4.742
   52    HG   LEU   6           HG       LEU   6  -3.506  -8.395   4.137
   53   HD11  LEU   6          1HD1      LEU   6  -2.001  -7.104   2.840
   54   HD12  LEU   6          2HD1      LEU   6  -1.610  -6.040   4.214
   55   HD13  LEU   6          3HD1      LEU   6  -1.067  -7.735   4.217
   56   HD21  LEU   6          1HD2      LEU   6  -2.616  -8.816   6.206
   57   HD22  LEU   6          2HD2      LEU   6  -2.197  -7.113   6.503
   58   HD23  LEU   6          3HD2      LEU   6  -3.890  -7.651   6.636
   59    H    VAL   7           H        VAL   7  -6.960  -6.332   3.054
   60    HA   VAL   7           HA       VAL   7  -6.753  -8.407   1.007
   61    HB   VAL   7           HB       VAL   7  -8.648  -7.758   3.227
   62   HG11  VAL   7          1HG1      VAL   7  -9.355  -9.280   0.705
   63   HG12  VAL   7          2HG1      VAL   7 -10.227  -9.487   2.242
   64   HG13  VAL   7          3HG1      VAL   7 -10.208  -7.901   1.436
   65   HG21  VAL   7          1HG2      VAL   7  -7.861 -10.518   2.372
   66   HG22  VAL   7          2HG2      VAL   7  -6.636  -9.484   3.148
   67   HG23  VAL   7          3HG2      VAL   7  -8.151  -9.863   4.002
   68    H    PRO   8           H        PRO   8  -6.620  -7.952  -1.213
   69    HA   PRO   8           HA       PRO   8  -7.740  -5.128  -1.772
   70   1HB   PRO   8          1HB       PRO   8  -8.102  -7.480  -3.603
   71   2HB   PRO   8          2HB       PRO   8  -7.237  -6.011  -3.891
   72   1HG   PRO   8          1HG       PRO   8  -5.849  -8.224  -3.258
   73   2HG   PRO   8          2HG       PRO   8  -5.403  -6.731  -2.494
   74   1HD   PRO   8          1HD       PRO   8  -7.089  -8.943  -1.302
   75   2HD   PRO   8          2HD       PRO   8  -5.767  -8.078  -0.576
   76    H    ILE   9           H        ILE   9 -10.092  -7.269  -0.582
   77    HA   ILE   9           HA       ILE   9 -12.168  -6.411  -2.396
   78    HB   ILE   9           HB       ILE   9 -13.569  -7.918  -1.249
   79   HG12  ILE   9          1HG1      ILE   9 -11.883  -8.941   0.849
   80   HG13  ILE   9          2HG1      ILE   9 -12.047  -7.206   1.042
   81   HG21  ILE   9          1HG2      ILE   9 -12.523  -9.515  -2.384
   82   HG22  ILE   9          2HG2      ILE   9 -10.944  -8.726  -2.160
   83   HG23  ILE   9          3HG2      ILE   9 -11.563  -9.846  -0.922
   84   HD11  ILE   9          1HD1      ILE   9 -14.447  -9.009   0.520
   85   HD12  ILE   9          2HD1      ILE   9 -13.860  -8.638   2.160
   86   HD13  ILE   9          3HD1      ILE   9 -14.450  -7.329   1.107
   87    H    ALA  10           H        ALA  10 -10.460  -4.753  -0.216
   88    HA   ALA  10           HA       ALA  10 -12.677  -3.006   0.356
   89    HB1  ALA  10          1HB       ALA  10 -12.639  -3.141   2.689
   90    HB2  ALA  10          2HB       ALA  10 -12.456  -4.846   2.218
   91    HB3  ALA  10          3HB       ALA  10 -11.032  -3.903   2.721
   92    H    TYR  11           H        TYR  11 -11.962  -0.962   0.006
   93    HA   TYR  11           HA       TYR  11  -9.118  -0.438   0.510
   94    HB2  TYR  11          1HB       TYR  11  -9.040   0.679  -1.668
   95    HB3  TYR  11          2HB       TYR  11  -9.823  -0.860  -1.962
   96    HD1  TYR  11          1HD       TYR  11 -10.090   2.684  -2.298
   97    HD2  TYR  11          2HD       TYR  11 -12.422  -0.888  -1.962
   98    HE1  TYR  11          1HE       TYR  11 -12.091   3.887  -3.307
   99    HE2  TYR  11          2HE       TYR  11 -14.415   0.327  -2.972
  100    HH   TYR  11           HH       TYR  11 -15.058   3.012  -3.002
  101    H    LYS  12           H        LYS  12  -8.674   2.003   0.560
  102    HA   LYS  12           HA       LYS  12 -11.035   3.477   1.456
  103    HB2  LYS  12          1HB       LYS  12  -8.447   3.190   3.012
  104    HB3  LYS  12          2HB       LYS  12  -9.692   4.370   3.369
  105    HG2  LYS  12          1HG       LYS  12 -10.617   1.533   3.081
  106    HG3  LYS  12          2HG       LYS  12  -9.622   1.877   4.482
  107    HD2  LYS  12          1HD       LYS  12 -11.198   3.889   4.924
  108    HD3  LYS  12          2HD       LYS  12 -12.262   3.192   3.719
  109    HE2  LYS  12          1HE       LYS  12 -12.221   1.016   5.066
  110    HE3  LYS  12          2HE       LYS  12 -11.342   1.873   6.315
  111    HZ1  LYS  12          1HZ       LYS  12 -13.151   3.080   6.854
  112    HZ2  LYS  12          2HZ       LYS  12 -13.784   3.088   5.349
  113    HZ3  LYS  12          3HZ       LYS  12 -13.932   1.761   6.291
  114    H    THR  13           H        THR  13  -9.822   5.885   2.096
  115    HA   THR  13           HA       THR  13  -8.732   6.633  -0.522
  116    HB   THR  13           HB       THR  13  -9.735   8.567   1.586
  117    HG1  THR  13          1HG       THR  13 -11.416   7.016   1.494
  118   HG21  THR  13          1HG2      THR  13  -9.333   9.850  -0.307
  119   HG22  THR  13          2HG2      THR  13  -9.415   8.442  -1.393
  120   HG23  THR  13          3HG2      THR  13 -10.914   9.205  -0.809
  121    H    CYS  14           H        CYS  14  -6.784   7.667  -0.787
  122    HA   CYS  14           HA       CYS  14  -4.852   7.136   1.159
  123    HB2  CYS  14          1HB       CYS  14  -4.648   9.051  -1.185
  124    HB3  CYS  14          2HB       CYS  14  -3.314   8.339  -0.300
  125    H    PRO  15           H        PRO  15  -4.647   7.787   3.367
  126    HA   PRO  15           HA       PRO  15  -6.427  10.371   3.699
  127   1HB   PRO  15          1HB       PRO  15  -4.620  10.079   5.785
  128   2HB   PRO  15          2HB       PRO  15  -6.029   9.106   5.563
  129   1HG   PRO  15          1HG       PRO  15  -3.141   8.512   4.786
  130   2HG   PRO  15          2HG       PRO  15  -4.326   7.454   5.488
  131   1HD   PRO  15          1HD       PRO  15  -3.830   7.335   2.824
  132   2HD   PRO  15          2HD       PRO  15  -5.417   7.023   3.461
  133    H    GLU  16           H        GLU  16  -5.327  12.109   5.448
  134    HA   GLU  16           HA       GLU  16  -4.527  14.162   3.823
  135    HB2  GLU  16          1HB       GLU  16  -4.110  13.792   6.822
  136    HB3  GLU  16          2HB       GLU  16  -3.909  15.317   5.983
  137    HG2  GLU  16          1HG       GLU  16  -6.475  14.110   5.269
  138    HG3  GLU  16          2HG       GLU  16  -6.326  14.225   7.012
  139    H    GLY  17           H        GLY  17  -2.609  14.688   2.858
  140    HA2  GLY  17          1HA       GLY  17  -0.327  14.996   2.762
  141    HA3  GLY  17          2HA       GLY  17  -0.103  13.937   4.140
  142    H    LYS  18           H        LYS  18  -1.824  11.748   3.088
  143    HA   LYS  18           HA       LYS  18   0.152  10.636   1.274
  144    HB2  LYS  18          1HB       LYS  18  -2.130   9.400   2.839
  145    HB3  LYS  18          2HB       LYS  18  -1.100   8.504   1.740
  146    HG2  LYS  18          1HG       LYS  18  -0.003   8.172   3.790
  147    HG3  LYS  18          2HG       LYS  18   0.890   9.526   3.128
  148    HD2  LYS  18          1HD       LYS  18  -1.422  10.536   4.568
  149    HD3  LYS  18          2HD       LYS  18  -0.555   9.415   5.600
  150    HE2  LYS  18          1HE       LYS  18   1.199  11.300   4.098
  151    HE3  LYS  18          2HE       LYS  18   0.123  12.075   5.245
  152    HZ1  LYS  18          1HZ       LYS  18   1.562   9.716   6.123
  153    HZ2  LYS  18          2HZ       LYS  18   2.400  11.109   5.978
  154    HZ3  LYS  18          3HZ       LYS  18   1.111  11.033   6.976
  155    H    ASN  19           H        ASN  19  -0.297   9.913  -0.829
  156    HA   ASN  19           HA       ASN  19  -2.991  10.376  -1.768
  157    HB2  ASN  19          1HB       ASN  19  -1.881  12.477  -2.343
  158    HB3  ASN  19          2HB       ASN  19  -0.461  11.637  -2.932
  159   HD21  ASN  19          1HD2      ASN  19  -0.464  12.360  -4.979
  160   HD22  ASN  19          2HD2      ASN  19  -1.680  12.013  -6.163
  161    H    LEU  20           H        LEU  20   0.404   9.272  -2.355
  162    HA   LEU  20           HA       LEU  20  -0.373   7.572  -4.531
  163    HB2  LEU  20          1HB       LEU  20   2.204   7.986  -3.019
  164    HB3  LEU  20          2HB       LEU  20   2.028   6.816  -4.313
  165    HG   LEU  20           HG       LEU  20   1.062   9.326  -5.279
  166   HD11  LEU  20          1HD1      LEU  20   3.914   9.707  -4.492
  167   HD12  LEU  20          2HD1      LEU  20   2.637  10.906  -4.812
  168   HD13  LEU  20          3HD1      LEU  20   2.655  10.014  -3.272
  169   HD21  LEU  20          1HD2      LEU  20   2.896   7.208  -6.017
  170   HD22  LEU  20          2HD2      LEU  20   1.940   8.302  -7.044
  171   HD23  LEU  20          3HD2      LEU  20   3.542   8.807  -6.458
  172    H    CYS  21           H        CYS  21   0.001   5.188  -4.496
  173    HA   CYS  21           HA       CYS  21  -0.889   4.160  -1.914
  174    HB2  CYS  21          1HB       CYS  21  -1.051   2.839  -4.643
  175    HB3  CYS  21          2HB       CYS  21  -1.735   2.229  -3.149
  176    H    TYR  22           H        TYR  22   0.289   2.462  -0.892
  177    HA   TYR  22           HA       TYR  22   2.752   1.626  -2.247
  178    HB2  TYR  22          1HB       TYR  22   3.999   2.261  -0.291
  179    HB3  TYR  22          2HB       TYR  22   2.837   3.568  -0.418
  180    HD1  TYR  22          1HD       TYR  22   3.227   0.205   1.198
  181    HD2  TYR  22          2HD       TYR  22   1.573   4.142   1.453
  182    HE1  TYR  22          1HE       TYR  22   2.409  -0.284   3.555
  183    HE2  TYR  22          2HE       TYR  22   0.761   3.641   3.809
  184    HH   TYR  22           HH       TYR  22   0.134   1.232   5.023
  185    H    LYS  23           H        LYS  23   3.483  -0.481  -1.719
  186    HA   LYS  23           HA       LYS  23   1.677  -1.987   0.035
  187    HB2  LYS  23          1HB       LYS  23   1.760  -2.215  -2.750
  188    HB3  LYS  23          2HB       LYS  23   2.728  -3.561  -2.185
  189    HG2  LYS  23          1HG       LYS  23   0.854  -4.170  -0.585
  190    HG3  LYS  23          2HG       LYS  23  -0.116  -2.894  -1.294
  191    HD2  LYS  23          1HD       LYS  23   0.968  -5.369  -2.709
  192    HD3  LYS  23          2HD       LYS  23  -0.711  -5.006  -2.367
  193    HE2  LYS  23          1HE       LYS  23  -0.826  -4.037  -4.418
  194    HE3  LYS  23          2HE       LYS  23   0.170  -2.740  -3.785
  195    HZ1  LYS  23          1HZ       LYS  23   2.076  -4.332  -4.336
  196    HZ2  LYS  23          2HZ       LYS  23   1.000  -5.082  -5.308
  197    HZ3  LYS  23          3HZ       LYS  23   1.366  -3.511  -5.556
  198    H    MET  24           H        MET  24   2.815  -2.704   1.747
  199    HA   MET  24           HA       MET  24   5.666  -3.073   1.353
  200    HB2  MET  24          1HB       MET  24   3.829  -2.521   3.699
  201    HB3  MET  24          2HB       MET  24   5.339  -3.347   4.033
  202    HG2  MET  24          1HG       MET  24   6.637  -1.493   3.528
  203    HG3  MET  24          2HG       MET  24   5.558  -0.941   2.263
  204    HE1  MET  24          1HE       MET  24   6.216  -1.452   5.893
  205    HE2  MET  24          2HE       MET  24   5.246  -0.237   6.761
  206    HE3  MET  24          3HE       MET  24   4.483  -1.738   6.182
  207    H    PHE  25           H        PHE  25   6.746  -5.036   1.946
  208    HA   PHE  25           HA       PHE  25   4.931  -7.279   2.478
  209    HB2  PHE  25          1HB       PHE  25   7.298  -6.938   0.549
  210    HB3  PHE  25          2HB       PHE  25   6.711  -8.529   0.996
  211    HD1  PHE  25          1HD       PHE  25   5.035  -9.517  -0.266
  212    HD2  PHE  25          2HD       PHE  25   5.510  -5.303  -0.437
  213    HE1  PHE  25          1HE       PHE  25   3.319  -9.398  -2.094
  214    HE2  PHE  25          2HE       PHE  25   3.795  -5.184  -2.265
  215    HZ   PHE  25           HZ       PHE  25   2.719  -7.232  -3.072
  216    H    MET  26           H        MET  26   6.389  -9.316   3.115
  217    HA   MET  26           HA       MET  26   8.501  -8.326   4.863
  218    HB2  MET  26          1HB       MET  26   6.294 -10.374   5.441
  219    HB3  MET  26          2HB       MET  26   7.694 -10.178   6.478
  220    HG2  MET  26          1HG       MET  26   7.075  -7.713   6.723
  221    HG3  MET  26          2HG       MET  26   5.599  -8.046   5.839
  222    HE1  MET  26          1HE       MET  26   6.203  -8.290  10.159
  223    HE2  MET  26          2HE       MET  26   7.243  -7.614   8.882
  224    HE3  MET  26          3HE       MET  26   5.601  -6.972   9.126
  225    H    MET  27           H        MET  27  10.113 -10.042   5.501
  226    HA   MET  27           HA       MET  27  11.049 -11.345   3.276
  227    HB2  MET  27          1HB       MET  27  11.555 -11.468   6.262
  228    HB3  MET  27          2HB       MET  27  12.285 -12.717   5.272
  229    HG2  MET  27          1HG       MET  27  12.575  -9.833   4.405
  230    HG3  MET  27          2HG       MET  27  13.561 -10.410   5.733
  231    HE1  MET  27          1HE       MET  27  16.015 -11.668   5.114
  232    HE2  MET  27          2HE       MET  27  14.656 -12.655   5.708
  233    HE3  MET  27          3HE       MET  27  15.638 -13.225   4.337
  234    H    SER  28           H        SER  28   8.413 -12.195   5.312
  235    HA   SER  28           HA       SER  28   8.674 -14.961   5.310
  236    HB2  SER  28          1HB       SER  28   7.108 -14.120   6.844
  237    HB3  SER  28          2HB       SER  28   6.399 -13.017   5.681
  238    HG   SER  28           HG       SER  28   6.118 -15.902   5.696
  239    H    ASP  29           H        ASP  29   6.993 -12.647   3.088
  240    HA   ASP  29           HA       ASP  29   7.382 -14.437   0.936
  241    HB2  ASP  29          1HB       ASP  29   4.764 -14.278   0.437
  242    HB3  ASP  29          2HB       ASP  29   5.418 -15.580   1.413
  243    H    LEU  30           H        LEU  30   8.316 -12.667  -0.198
  244    HA   LEU  30           HA       LEU  30   7.099 -10.087  -0.136
  245    HB2  LEU  30          1HB       LEU  30   9.359 -11.248  -1.769
  246    HB3  LEU  30          2HB       LEU  30   8.865  -9.567  -1.822
  247    HG   LEU  30           HG       LEU  30   9.741 -10.919   0.737
  248   HD11  LEU  30          1HD1      LEU  30  11.951  -9.824   0.364
  249   HD12  LEU  30          2HD1      LEU  30  11.593 -11.152  -0.765
  250   HD13  LEU  30          3HD1      LEU  30  11.440  -9.462  -1.302
  251   HD21  LEU  30          1HD2      LEU  30   8.996  -9.018   1.622
  252   HD22  LEU  30          2HD2      LEU  30  10.365  -8.212   0.820
  253   HD23  LEU  30          3HD2      LEU  30   8.774  -8.269   0.023
  254    H    THR  31           H        THR  31   6.253 -12.976  -1.634
  255    HA   THR  31           HA       THR  31   5.453 -11.837  -4.164
  256    HB   THR  31           HB       THR  31   6.233 -14.162  -4.065
  257    HG1  THR  31          1HG       THR  31   4.081 -15.108  -4.790
  258   HG21  THR  31          1HG2      THR  31   5.748 -14.920  -1.828
  259   HG22  THR  31          2HG2      THR  31   4.044 -14.418  -1.952
  260   HG23  THR  31          3HG2      THR  31   4.627 -15.827  -2.870
  261    H    ILE  32           H        ILE  32   4.192 -11.974  -0.946
  262    HA   ILE  32           HA       ILE  32   1.683 -10.919  -1.986
  263    HB   ILE  32           HB       ILE  32   2.028 -13.414  -0.415
  264   HG12  ILE  32          1HG1      ILE  32  -0.455 -13.169  -1.818
  265   HG13  ILE  32          2HG1      ILE  32   0.821 -12.584  -2.866
  266   HG21  ILE  32          1HG2      ILE  32   0.940 -12.325   1.314
  267   HG22  ILE  32          2HG2      ILE  32  -0.016 -11.302   0.214
  268   HG23  ILE  32          3HG2      ILE  32  -0.410 -13.030   0.392
  269   HD11  ILE  32          1HD1      ILE  32   0.235 -15.181  -2.750
  270   HD12  ILE  32          2HD1      ILE  32   1.922 -14.642  -2.929
  271   HD13  ILE  32          3HD1      ILE  32   1.309 -15.134  -1.332
  272    H    PRO  33           H        PRO  33   0.996  -8.851  -1.396
  273    HA   PRO  33           HA       PRO  33   2.962  -7.908   0.907
  274   1HB   PRO  33          1HB       PRO  33   0.691  -6.338   0.776
  275   2HB   PRO  33          2HB       PRO  33   1.968  -6.299  -0.385
  276   1HG   PRO  33          1HG       PRO  33  -0.702  -7.761  -0.514
  277   2HG   PRO  33          2HG       PRO  33   0.129  -6.890  -1.764
  278   1HD   PRO  33          1HD       PRO  33   0.272  -9.616  -1.646
  279   2HD   PRO  33          2HD       PRO  33   1.564  -8.649  -2.297
  280    H    VAL  34           H        VAL  34   2.645  -6.935   3.000
  281    HA   VAL  34           HA       VAL  34   0.818  -8.536   4.654
  282    HB   VAL  34           HB       VAL  34   3.588  -8.094   4.814
  283   HG11  VAL  34          1HG1      VAL  34   3.967  -6.941   6.872
  284   HG12  VAL  34          2HG1      VAL  34   2.960  -5.878   5.860
  285   HG13  VAL  34          3HG1      VAL  34   2.223  -6.800   7.192
  286   HG21  VAL  34          1HG2      VAL  34   1.863  -9.124   7.075
  287   HG22  VAL  34          2HG2      VAL  34   2.104 -10.043   5.570
  288   HG23  VAL  34          3HG2      VAL  34   3.500  -9.637   6.596
  289    H    LYS  35           H        LYS  35   1.894  -5.303   3.647
  290    HA   LYS  35           HA       LYS  35  -0.353  -4.216   5.185
  291    HB2  LYS  35          1HB       LYS  35   1.625  -3.654   6.441
  292    HB3  LYS  35          2HB       LYS  35   2.454  -3.092   5.003
  293    HG2  LYS  35          1HG       LYS  35   1.157  -1.134   4.843
  294    HG3  LYS  35          2HG       LYS  35  -0.201  -1.833   5.702
  295    HD2  LYS  35          1HD       LYS  35   2.364  -1.581   7.243
  296    HD3  LYS  35          2HD       LYS  35   1.543  -0.083   6.850
  297    HE2  LYS  35          1HE       LYS  35  -0.523  -0.861   7.934
  298    HE3  LYS  35          2HE       LYS  35   0.157  -2.456   8.184
  299    HZ1  LYS  35          1HZ       LYS  35   1.855  -0.490   9.250
  300    HZ2  LYS  35          2HZ       LYS  35   0.352  -0.312   9.861
  301    HZ3  LYS  35          3HZ       LYS  35   1.128  -1.740  10.009
  302    H    ARG  36           H        ARG  36  -1.517  -2.540   4.150
  303    HA   ARG  36           HA       ARG  36  -0.570  -1.803   1.529
  304    HB2  ARG  36          1HB       ARG  36  -3.187  -3.248   2.105
  305    HB3  ARG  36          2HB       ARG  36  -3.038  -2.206   0.705
  306    HG2  ARG  36          1HG       ARG  36  -0.744  -3.684   0.433
  307    HG3  ARG  36          2HG       ARG  36  -1.760  -4.858   1.245
  308    HD2  ARG  36          1HD       ARG  36  -3.544  -3.943  -0.614
  309    HD3  ARG  36          2HD       ARG  36  -2.052  -3.664  -1.490
  310    HE   ARG  36           HE       ARG  36  -2.023  -6.299  -0.312
  311   HH11  ARG  36          1HH1      ARG  36  -3.031  -7.958  -3.212
  312   HH12  ARG  36          2HH1      ARG  36  -2.320  -8.133  -1.642
  313   HH21  ARG  36          1HH2      ARG  36  -3.679  -5.861  -3.965
  314   HH22  ARG  36          2HH2      ARG  36  -3.454  -4.471  -2.956
  315    H    GLY  37           H        GLY  37  -0.694   0.418   1.478
  316    HA2  GLY  37          1HA       GLY  37  -3.109   1.762   2.303
  317    HA3  GLY  37          2HA       GLY  37  -1.744   2.055   3.362
  318    H    CYS  38           H        CYS  38  -2.091   4.351   2.552
  319    HA   CYS  38           HA       CYS  38  -0.787   4.686  -0.051
  320    HB2  CYS  38          1HB       CYS  38  -2.826   6.445   1.347
  321    HB3  CYS  38          2HB       CYS  38  -1.902   6.961  -0.048
  322    H    ILE  39           H        ILE  39   0.563   6.796  -0.134
  323    HA   ILE  39           HA       ILE  39   1.474   7.775   2.408
  324    HB   ILE  39           HB       ILE  39   2.700   5.630   2.113
  325   HG12  ILE  39          1HG1      ILE  39   4.831   7.673   1.931
  326   HG13  ILE  39          2HG1      ILE  39   3.564   8.026   3.090
  327   HG21  ILE  39          1HG2      ILE  39   2.847   5.740  -0.372
  328   HG22  ILE  39          2HG2      ILE  39   4.071   7.023  -0.201
  329   HG23  ILE  39          3HG2      ILE  39   4.396   5.391   0.433
  330   HD11  ILE  39          1HD1      ILE  39   5.372   5.585   2.977
  331   HD12  ILE  39          2HD1      ILE  39   5.165   6.746   4.309
  332   HD13  ILE  39          3HD1      ILE  39   3.866   5.589   3.927
  333    H    ASP  40           H        ASP  40   3.076   9.588   2.085
  334    HA   ASP  40           HA       ASP  40   2.215  11.056  -0.210
  335    HB2  ASP  40          1HB       ASP  40   2.441  12.052   2.106
  336    HB3  ASP  40          2HB       ASP  40   4.174  11.814   2.009
  337    H    VAL  41           H        VAL  41   5.232   9.676   1.235
  338    HA   VAL  41           HA       VAL  41   6.529  10.042  -1.373
  339    HB   VAL  41           HB       VAL  41   7.617  10.506   1.402
  340   HG11  VAL  41          1HG1      VAL  41   9.598  10.997  -0.608
  341   HG12  VAL  41          2HG1      VAL  41   9.658   9.873   0.770
  342   HG13  VAL  41          3HG1      VAL  41   9.002   9.331  -0.792
  343   HG21  VAL  41          1HG2      VAL  41   7.561  12.261  -1.078
  344   HG22  VAL  41          2HG2      VAL  41   6.473  12.406   0.325
  345   HG23  VAL  41          3HG2      VAL  41   8.218  12.707   0.515
  346    H    CYS  42           H        CYS  42   7.619   8.254  -2.178
  347    HA   CYS  42           HA       CYS  42   6.875   5.772  -1.148
  348    HB2  CYS  42          1HB       CYS  42   7.482   6.329  -3.547
  349    HB3  CYS  42          2HB       CYS  42   9.165   6.299  -3.063
  350    H    PRO  43           H        PRO  43   7.229   4.714   0.895
  351    HA   PRO  43           HA       PRO  43  10.194   5.354   1.884
  352   1HB   PRO  43          1HB       PRO  43   8.795   2.762   2.293
  353   2HB   PRO  43          2HB       PRO  43   9.262   3.941   3.466
  354   1HG   PRO  43          1HG       PRO  43   6.661   3.721   2.761
  355   2HG   PRO  43          2HG       PRO  43   7.342   5.301   2.977
  356   1HD   PRO  43          1HD       PRO  43   6.962   3.851   0.338
  357   2HD   PRO  43          2HD       PRO  43   6.463   5.464   0.759
  358    H    LYS  44           H        LYS  44  12.097   4.102   2.213
  359    HA   LYS  44           HA       LYS  44  13.029   2.895  -0.201
  360    HB2  LYS  44          1HB       LYS  44  14.374   3.112   2.509
  361    HB3  LYS  44          2HB       LYS  44  15.151   2.717   0.988
  362    HG2  LYS  44          1HG       LYS  44  13.550   5.223   0.908
  363    HG3  LYS  44          2HG       LYS  44  14.899   5.278   2.027
  364    HD2  LYS  44          1HD       LYS  44  16.334   4.319   0.070
  365    HD3  LYS  44          2HD       LYS  44  14.981   4.727  -0.966
  366    HE2  LYS  44          1HE       LYS  44  15.721   6.943   0.848
  367    HE3  LYS  44          2HE       LYS  44  17.043   6.464  -0.198
  368    HZ1  LYS  44          1HZ       LYS  44  15.879   7.034  -2.041
  369    HZ2  LYS  44          2HZ       LYS  44  14.410   6.775  -1.378
  370    HZ3  LYS  44          3HZ       LYS  44  15.249   8.124  -1.001
  371    H    ASN  45           H        ASN  45  13.827   0.697  -0.424
  372    HA   ASN  45           HA       ASN  45  12.073  -1.107   0.924
  373    HB2  ASN  45          1HB       ASN  45  14.236  -1.512  -1.206
  374    HB3  ASN  45          2HB       ASN  45  13.237  -2.815  -0.599
  375   HD21  ASN  45          1HD2      ASN  45  13.273   0.236  -2.324
  376   HD22  ASN  45          2HD2      ASN  45  11.758   0.067  -3.147
  377    H    SER  46           H        SER  46  13.029  -3.210   1.885
  378    HA   SER  46           HA       SER  46  15.738  -2.844   2.839
  379    HB2  SER  46          1HB       SER  46  15.000  -3.546   5.155
  380    HB3  SER  46          2HB       SER  46  14.449  -1.952   4.673
  381    HG   SER  46           HG       SER  46  12.697  -3.085   5.608
  382    H    LEU  47           H        LEU  47  16.456  -4.992   4.037
  383    HA   LEU  47           HA       LEU  47  15.743  -7.142   2.263
  384    HB2  LEU  47          1HB       LEU  47  17.724  -6.960   4.537
  385    HB3  LEU  47          2HB       LEU  47  17.534  -8.344   3.478
  386    HG   LEU  47           HG       LEU  47  18.872  -5.749   3.004
  387   HD11  LEU  47          1HD1      LEU  47  20.138  -7.807   3.255
  388   HD12  LEU  47          2HD1      LEU  47  19.255  -8.544   1.896
  389   HD13  LEU  47          3HD1      LEU  47  20.332  -7.156   1.610
  390   HD21  LEU  47          1HD2      LEU  47  16.926  -5.601   1.466
  391   HD22  LEU  47          2HD2      LEU  47  18.493  -5.684   0.628
  392   HD23  LEU  47          3HD2      LEU  47  17.449  -7.123   0.708
  393    H    LEU  48           H        LEU  48  14.255  -5.812   4.900
  394    HA   LEU  48           HA       LEU  48  13.428  -8.434   5.928
  395    HB2  LEU  48          1HB       LEU  48  13.171  -5.732   7.251
  396    HB3  LEU  48          2HB       LEU  48  12.770  -7.289   7.949
  397    HG   LEU  48           HG       LEU  48  15.566  -7.002   7.005
  398   HD11  LEU  48          1HD1      LEU  48  15.905  -5.875   9.429
  399   HD12  LEU  48          2HD1      LEU  48  15.792  -4.948   7.914
  400   HD13  LEU  48          3HD1      LEU  48  14.361  -5.126   8.956
  401   HD21  LEU  48          1HD2      LEU  48  14.746  -9.024   8.132
  402   HD22  LEU  48          2HD2      LEU  48  16.046  -8.231   9.050
  403   HD23  LEU  48          3HD2      LEU  48  14.355  -8.058   9.575
  404    H    VAL  49           H        VAL  49  12.264  -5.158   4.920
  405    HA   VAL  49           HA       VAL  49   9.759  -6.470   4.144
  406    HB   VAL  49           HB       VAL  49   9.145  -5.407   6.120
  407   HG11  VAL  49          1HG1      VAL  49   9.832  -3.180   6.817
  408   HG12  VAL  49          2HG1      VAL  49  11.268  -4.170   6.461
  409   HG13  VAL  49          3HG1      VAL  49  10.719  -2.945   5.292
  410   HG21  VAL  49          1HG2      VAL  49   8.397  -2.984   4.736
  411   HG22  VAL  49          2HG2      VAL  49   8.223  -4.385   3.654
  412   HG23  VAL  49          3HG2      VAL  49   7.387  -4.366   5.226
  413    H    LYS  50           H        LYS  50   8.901  -5.791   2.168
  414    HA   LYS  50           HA       LYS  50  10.712  -4.086   0.634
  415    HB2  LYS  50          1HB       LYS  50  10.115  -6.461  -0.093
  416    HB3  LYS  50          2HB       LYS  50   8.505  -5.858  -0.434
  417    HG2  LYS  50          1HG       LYS  50   9.197  -4.618  -2.263
  418    HG3  LYS  50          2HG       LYS  50  10.746  -4.218  -1.547
  419    HD2  LYS  50          1HD       LYS  50  10.134  -7.063  -2.426
  420    HD3  LYS  50          2HD       LYS  50  10.691  -5.871  -3.584
  421    HE2  LYS  50          1HE       LYS  50  12.254  -6.072  -1.028
  422    HE3  LYS  50          2HE       LYS  50  12.384  -7.432  -2.125
  423    HZ1  LYS  50          1HZ       LYS  50  13.453  -6.192  -3.630
  424    HZ2  LYS  50          2HZ       LYS  50  12.602  -4.830  -3.335
  425    HZ3  LYS  50          3HZ       LYS  50  13.833  -5.252  -2.349
  426    H    TYR  51           H        TYR  51   9.694  -2.530  -0.931
  427    HA   TYR  51           HA       TYR  51   7.088  -1.575   0.004
  428    HB2  TYR  51          1HB       TYR  51   9.811  -0.185  -0.210
  429    HB3  TYR  51          2HB       TYR  51   8.348   0.767  -0.358
  430    HD1  TYR  51          1HD       TYR  51   6.964   1.256   1.566
  431    HD2  TYR  51          2HD       TYR  51  10.377  -1.294   1.938
  432    HE1  TYR  51          1HE       TYR  51   6.830   1.435   4.099
  433    HE2  TYR  51          2HE       TYR  51  10.233  -1.108   4.469
  434    HH   TYR  51           HH       TYR  51   9.106  -0.360   6.154
  435    H    VAL  52           H        VAL  52   5.733  -1.189  -1.678
  436    HA   VAL  52           HA       VAL  52   6.972  -0.538  -4.256
  437    HB   VAL  52           HB       VAL  52   4.529  -2.264  -4.077
  438   HG11  VAL  52          1HG1      VAL  52   5.230  -1.252  -6.237
  439   HG12  VAL  52          2HG1      VAL  52   6.779  -2.119  -6.112
  440   HG13  VAL  52          3HG1      VAL  52   5.257  -3.031  -6.261
  441   HG21  VAL  52          1HG2      VAL  52   7.301  -3.051  -3.362
  442   HG22  VAL  52          2HG2      VAL  52   5.742  -3.768  -2.889
  443   HG23  VAL  52          3HG2      VAL  52   6.443  -4.134  -4.483
  444    H    CYS  53           H        CYS  53   6.393   1.533  -4.663
  445    HA   CYS  53           HA       CYS  53   3.750   2.368  -3.748
  446    HB2  CYS  53          1HB       CYS  53   5.936   4.204  -4.743
  447    HB3  CYS  53          2HB       CYS  53   4.531   4.608  -3.779
  448    H    CYS  54           H        CYS  54   2.307   3.430  -5.274
  449    HA   CYS  54           HA       CYS  54   3.142   3.363  -8.052
  450    HB2  CYS  54          1HB       CYS  54   0.903   2.269  -8.640
  451    HB3  CYS  54          2HB       CYS  54   2.165   1.229  -8.009
  452    H    ASN  55           H        ASN  55   2.136   5.040  -9.247
  453    HA   ASN  55           HA       ASN  55   0.652   6.883  -7.603
  454    HB2  ASN  55          1HB       ASN  55   1.065   8.493  -9.446
  455    HB3  ASN  55          2HB       ASN  55   2.567   7.716  -8.984
  456   HD21  ASN  55          1HD2      ASN  55   0.511   8.505 -11.492
  457   HD22  ASN  55          2HD2      ASN  55   1.149   7.502 -12.751
  458    H    THR  56           H        THR  56  -0.543   4.309  -8.604
  459    HA   THR  56           HA       THR  56  -2.536   5.373 -10.492
  460    HB   THR  56           HB       THR  56  -2.815   2.639 -10.553
  461    HG1  THR  56          1HG       THR  56  -0.596   1.852 -10.322
  462   HG21  THR  56          1HG2      THR  56  -0.725   2.871 -12.298
  463   HG22  THR  56          2HG2      THR  56  -2.366   3.442 -12.688
  464   HG23  THR  56          3HG2      THR  56  -1.137   4.590 -12.103
  465    H    ASP  57           H        ASP  57  -4.745   4.162 -10.229
  466    HA   ASP  57           HA       ASP  57  -5.451   4.642  -7.481
  467    HB2  ASP  57          1HB       ASP  57  -6.891   4.453 -10.110
  468    HB3  ASP  57          2HB       ASP  57  -7.812   4.021  -8.684
  469    H    ARG  58           H        ARG  58  -6.153   2.970  -6.076
  470    HA   ARG  58           HA       ARG  58  -6.284   0.951  -5.297
  471    HB2  ARG  58          1HB       ARG  58  -7.874   0.658  -7.880
  472    HB3  ARG  58          2HB       ARG  58  -7.755  -0.671  -6.744
  473    HG2  ARG  58          1HG       ARG  58  -8.392   1.568  -5.137
  474    HG3  ARG  58          2HG       ARG  58  -9.368   1.777  -6.575
  475    HD2  ARG  58          1HD       ARG  58  -9.322  -1.010  -5.510
  476    HD3  ARG  58          2HD       ARG  58 -10.061   0.165  -4.440
  477    HE   ARG  58           HE       ARG  58 -11.145   0.708  -6.971
  478   HH11  ARG  58          1HH1      ARG  58 -13.756  -1.607  -6.994
  479   HH12  ARG  58          2HH1      ARG  58 -13.140  -0.145  -7.689
  480   HH21  ARG  58          1HH2      ARG  58 -12.557  -2.700  -5.334
  481   HH22  ARG  58          2HH2      ARG  58 -11.045  -2.053  -4.790
  482    H    CYS  59           H        CYS  59  -3.970   1.596  -7.184
  483    HA   CYS  59           HA       CYS  59  -3.398  -0.650  -8.736
  484    HB2  CYS  59          1HB       CYS  59  -1.005   0.220  -8.570
  485    HB3  CYS  59          2HB       CYS  59  -2.199   1.309  -9.250
  486    H    ASN  60           H        ASN  60  -2.916   0.210  -5.292
  487    HA   ASN  60           HA       ASN  60  -1.354  -2.161  -4.867
  488    HB2  ASN  60          1HB       ASN  60  -1.004  -1.308  -2.637
  489    HB3  ASN  60          2HB       ASN  60  -0.966   0.100  -3.679
  490   HD21  ASN  60          1HD2      ASN  60  -1.858  -0.689  -0.797
  491   HD22  ASN  60          2HD2      ASN  60  -3.349   0.162  -0.574
  492    H1   HOH 101          1H        HOH  61   4.784 -11.015   2.686
  493    H2   HOH 101          2H        HOH  61   3.708  -9.954   2.743
  Start of MODEL    2
    1    H1   LEU   1           H        LEU   1  -5.303  10.356  -4.787
    2    HA   LEU   1           HA       LEU   1  -6.956   8.561  -6.125
    3    HB2  LEU   1          1HB       LEU   1  -4.134   8.797  -5.383
    4    HB3  LEU   1          2HB       LEU   1  -4.687   7.137  -5.488
    5    HG   LEU   1           HG       LEU   1  -5.471   7.527  -7.790
    6   HD11  LEU   1          1HD1      LEU   1  -5.237  10.268  -7.063
    7   HD12  LEU   1          2HD1      LEU   1  -4.125   9.962  -8.420
    8   HD13  LEU   1          3HD1      LEU   1  -5.853   9.561  -8.576
    9   HD21  LEU   1          1HD2      LEU   1  -2.633   7.877  -6.970
   10   HD22  LEU   1          2HD2      LEU   1  -3.405   6.606  -7.950
   11   HD23  LEU   1          3HD2      LEU   1  -3.034   8.188  -8.676
   12    H    LYS   2           H        LYS   2  -6.736   6.034  -5.463
   13    HA   LYS   2           HA       LYS   2  -7.473   5.860  -2.630
   14    HB2  LYS   2          1HB       LYS   2  -8.929   4.556  -4.949
   15    HB3  LYS   2          2HB       LYS   2  -9.262   4.273  -3.254
   16    HG2  LYS   2          1HG       LYS   2  -9.497   6.919  -3.139
   17    HG3  LYS   2          2HG       LYS   2  -9.711   6.794  -4.873
   18    HD2  LYS   2          1HD       LYS   2 -11.621   5.275  -4.590
   19    HD3  LYS   2          2HD       LYS   2 -11.347   5.180  -2.863
   20    HE2  LYS   2          1HE       LYS   2 -11.571   7.874  -3.075
   21    HE3  LYS   2          2HE       LYS   2 -12.517   7.430  -4.482
   22    HZ1  LYS   2          1HZ       LYS   2 -13.190   5.814  -2.282
   23    HZ2  LYS   2          2HZ       LYS   2 -13.342   7.391  -1.886
   24    HZ3  LYS   2          3HZ       LYS   2 -14.150   6.789  -3.172
   25    H    CYS   3           H        CYS   3  -6.930   3.866  -1.592
   26    HA   CYS   3           HA       CYS   3  -5.252   2.110  -3.214
   27    HB2  CYS   3          1HB       CYS   3  -4.461   2.842  -0.394
   28    HB3  CYS   3          2HB       CYS   3  -3.503   2.058  -1.632
   29    H    ASN   4           H        ASN   4  -5.239  -0.123  -2.418
   30    HA   ASN   4           HA       ASN   4  -7.665  -0.701  -0.999
   31    HB2  ASN   4          1HB       ASN   4  -5.614  -2.719  -2.026
   32    HB3  ASN   4          2HB       ASN   4  -7.321  -2.989  -1.740
   33   HD21  ASN   4          1HD2      ASN   4  -6.169  -3.656  -4.116
   34   HD22  ASN   4          2HD2      ASN   4  -6.737  -2.633  -5.394
   35    H    LYS   5           H        LYS   5  -7.529  -2.506   0.766
   36    HA   LYS   5           HA       LYS   5  -5.280  -1.869   2.507
   37    HB2  LYS   5          1HB       LYS   5  -7.911  -3.259   3.099
   38    HB3  LYS   5          2HB       LYS   5  -6.685  -2.841   4.279
   39    HG2  LYS   5          1HG       LYS   5  -8.420  -0.965   2.634
   40    HG3  LYS   5          2HG       LYS   5  -8.285  -1.062   4.379
   41    HD2  LYS   5          1HD       LYS   5  -6.136  -0.070   2.450
   42    HD3  LYS   5          2HD       LYS   5  -7.068   0.914   3.559
   43    HE2  LYS   5          1HE       LYS   5  -5.155  -1.319   4.398
   44    HE3  LYS   5          2HE       LYS   5  -4.768   0.390   4.426
   45    HZ1  LYS   5          1HZ       LYS   5  -5.905   0.644   6.290
   46    HZ2  LYS   5          2HZ       LYS   5  -7.200  -0.199   5.764
   47    HZ3  LYS   5          3HZ       LYS   5  -5.928  -0.984   6.423
   48    H    LEU   6           H        LEU   6  -5.033  -4.079   4.091
   49    HA   LEU   6           HA       LEU   6  -3.322  -5.685   2.754
   50    HB2  LEU   6          1HB       LEU   6  -3.894  -5.470   5.257
   51    HB3  LEU   6          2HB       LEU   6  -5.071  -6.737   4.963
   52    HG   LEU   6           HG       LEU   6  -3.394  -8.321   4.400
   53   HD11  LEU   6          1HD1      LEU   6  -1.946  -7.102   2.973
   54   HD12  LEU   6          2HD1      LEU   6  -1.489  -5.976   4.275
   55   HD13  LEU   6          3HD1      LEU   6  -0.954  -7.673   4.336
   56   HD21  LEU   6          1HD2      LEU   6  -2.412  -8.633   6.448
   57   HD22  LEU   6          2HD2      LEU   6  -1.990  -6.915   6.638
   58   HD23  LEU   6          3HD2      LEU   6  -3.672  -7.448   6.869
   59    H    VAL   7           H        VAL   7  -6.872  -6.222   3.213
   60    HA   VAL   7           HA       VAL   7  -6.683  -8.399   1.268
   61    HB   VAL   7           HB       VAL   7  -8.561  -7.654   3.470
   62   HG11  VAL   7          1HG1      VAL   7 -10.336  -7.998   2.121
   63   HG12  VAL   7          2HG1      VAL   7  -9.356  -8.788   0.862
   64   HG13  VAL   7          3HG1      VAL   7  -9.902  -9.717   2.278
   65   HG21  VAL   7          1HG2      VAL   7  -7.408 -10.316   2.569
   66   HG22  VAL   7          2HG2      VAL   7  -6.717  -9.271   3.835
   67   HG23  VAL   7          3HG2      VAL   7  -8.325 -10.001   4.063
   68    H    PRO   8           H        PRO   8  -6.511  -7.985  -0.963
   69    HA   PRO   8           HA       PRO   8  -7.644  -5.176  -1.592
   70   1HB   PRO   8          1HB       PRO   8  -7.940  -7.560  -3.391
   71   2HB   PRO   8          2HB       PRO   8  -7.081  -6.089  -3.681
   72   1HG   PRO   8          1HG       PRO   8  -5.690  -8.280  -2.985
   73   2HG   PRO   8          2HG       PRO   8  -5.273  -6.773  -2.231
   74   1HD   PRO   8          1HD       PRO   8  -6.973  -8.980  -1.049
   75   2HD   PRO   8          2HD       PRO   8  -5.672  -8.099  -0.305
   76    H    ILE   9           H        ILE   9  -9.993  -7.312  -0.399
   77    HA   ILE   9           HA       ILE   9 -12.043  -6.520  -2.275
   78    HB   ILE   9           HB       ILE   9 -13.455  -8.011  -1.105
   79   HG12  ILE   9          1HG1      ILE   9 -11.759  -9.001   1.001
   80   HG13  ILE   9          2HG1      ILE   9 -11.938  -7.266   1.177
   81   HG21  ILE   9          1HG2      ILE   9 -10.726  -8.867  -1.825
   82   HG22  ILE   9          2HG2      ILE   9 -11.635 -10.011  -0.809
   83   HG23  ILE   9          3HG2      ILE   9 -12.309  -9.473  -2.366
   84   HD11  ILE   9          1HD1      ILE   9 -14.089  -9.399   1.160
   85   HD12  ILE   9          2HD1      ILE   9 -13.815  -8.091   2.336
   86   HD13  ILE   9          3HD1      ILE   9 -14.496  -7.719   0.734
   87    H    ALA  10           H        ALA  10 -10.398  -4.795  -0.100
   88    HA   ALA  10           HA       ALA  10 -12.650  -3.070   0.398
   89    HB1  ALA  10          1HB       ALA  10 -11.186  -4.548   2.602
   90    HB2  ALA  10          2HB       ALA  10 -11.980  -2.983   2.895
   91    HB3  ALA  10          3HB       ALA  10 -12.940  -4.379   2.348
   92    H    TYR  11           H        TYR  11 -11.955  -1.030  -0.008
   93    HA   TYR  11           HA       TYR  11  -9.142  -0.432   0.571
   94    HB2  TYR  11          1HB       TYR  11  -9.004   0.608  -1.653
   95    HB3  TYR  11          2HB       TYR  11  -9.694  -0.983  -1.902
   96    HD1  TYR  11          1HD       TYR  11 -12.326  -1.108  -1.924
   97    HD2  TYR  11          2HD       TYR  11 -10.083   2.483  -2.538
   98    HE1  TYR  11          1HE       TYR  11 -14.322  -0.052  -3.091
   99    HE2  TYR  11          2HE       TYR  11 -12.087   3.527  -3.701
  100    HH   TYR  11           HH       TYR  11 -14.331   3.330  -3.941
  101    H    LYS  12           H        LYS  12  -8.732   1.991   0.591
  102    HA   LYS  12           HA       LYS  12 -11.158   3.481   1.256
  103    HB2  LYS  12          1HB       LYS  12  -8.684   3.291   2.999
  104    HB3  LYS  12          2HB       LYS  12  -9.977   4.450   3.228
  105    HG2  LYS  12          1HG       LYS  12 -11.349   2.013   3.004
  106    HG3  LYS  12          2HG       LYS  12  -9.902   1.573   3.891
  107    HD2  LYS  12          1HD       LYS  12 -10.887   2.395   5.762
  108    HD3  LYS  12          2HD       LYS  12 -10.710   3.999   5.080
  109    HE2  LYS  12          1HE       LYS  12 -12.985   4.116   5.150
  110    HE3  LYS  12          2HE       LYS  12 -12.968   3.064   3.748
  111    HZ1  LYS  12          1HZ       LYS  12 -13.533   1.297   4.989
  112    HZ2  LYS  12          2HZ       LYS  12 -12.723   1.782   6.323
  113    HZ3  LYS  12          3HZ       LYS  12 -14.180   2.430   5.970
  114    H    THR  13           H        THR  13 -10.047   5.927   1.865
  115    HA   THR  13           HA       THR  13  -8.826   6.603  -0.704
  116    HB   THR  13           HB       THR  13  -9.983   8.608  -0.474
  117    HG1  THR  13          1HG       THR  13  -8.901   9.466   1.320
  118   HG21  THR  13          1HG2      THR  13 -12.110   8.287   0.466
  119   HG22  THR  13          2HG2      THR  13 -11.580   6.593   0.328
  120   HG23  THR  13          3HG2      THR  13 -11.460   7.440   1.889
  121    H    CYS  14           H        CYS  14  -6.880   7.690  -0.935
  122    HA   CYS  14           HA       CYS  14  -4.974   7.100   1.034
  123    HB2  CYS  14          1HB       CYS  14  -4.721   9.003  -1.319
  124    HB3  CYS  14          2HB       CYS  14  -3.401   8.300  -0.405
  125    H    PRO  15           H        PRO  15  -4.789   7.754   3.246
  126    HA   PRO  15           HA       PRO  15  -6.587  10.318   3.557
  127   1HB   PRO  15          1HB       PRO  15  -4.786  10.052   5.656
  128   2HB   PRO  15          2HB       PRO  15  -6.189   9.070   5.430
  129   1HG   PRO  15          1HG       PRO  15  -3.295   8.494   4.672
  130   2HG   PRO  15          2HG       PRO  15  -4.475   7.428   5.367
  131   1HD   PRO  15          1HD       PRO  15  -3.962   7.304   2.709
  132   2HD   PRO  15          2HD       PRO  15  -5.555   6.990   3.333
  133    H    GLU  16           H        GLU  16  -5.497  12.056   5.337
  134    HA   GLU  16           HA       GLU  16  -4.719  14.127   3.708
  135    HB2  GLU  16          1HB       GLU  16  -4.360  13.763   6.716
  136    HB3  GLU  16          2HB       GLU  16  -4.145  15.289   5.880
  137    HG2  GLU  16          1HG       GLU  16  -6.719  13.815   5.379
  138    HG3  GLU  16          2HG       GLU  16  -6.515  14.537   6.964
  139    H    GLY  17           H        GLY  17  -2.796  14.665   2.764
  140    HA2  GLY  17          1HA       GLY  17  -0.518  15.007   2.701
  141    HA3  GLY  17          2HA       GLY  17  -0.299  13.963   4.091
  142    H    LYS  18           H        LYS  18  -2.013  11.763   2.988
  143    HA   LYS  18           HA       LYS  18   0.027  10.643   1.248
  144    HB2  LYS  18          1HB       LYS  18  -2.296   9.424   2.763
  145    HB3  LYS  18          2HB       LYS  18  -1.271   8.516   1.672
  146    HG2  LYS  18          1HG       LYS  18  -0.124   8.151   3.661
  147    HG3  LYS  18          2HG       LYS  18   0.702   9.597   3.115
  148    HD2  LYS  18          1HD       LYS  18  -1.078  10.930   4.461
  149    HD3  LYS  18          2HD       LYS  18  -1.517   9.397   5.190
  150    HE2  LYS  18          1HE       LYS  18   1.396  10.235   5.154
  151    HE3  LYS  18          2HE       LYS  18   0.317  10.950   6.334
  152    HZ1  LYS  18          1HZ       LYS  18   1.504   8.489   6.464
  153    HZ2  LYS  18          2HZ       LYS  18   0.394   9.099   7.494
  154    HZ3  LYS  18          3HZ       LYS  18  -0.083   8.179   6.231
  155    H    ASN  19           H        ASN  19  -0.357   9.905  -0.863
  156    HA   ASN  19           HA       ASN  19  -3.015  10.379  -1.894
  157    HB2  ASN  19          1HB       ASN  19  -1.834  12.467  -2.427
  158    HB3  ASN  19          2HB       ASN  19  -0.440  11.589  -3.021
  159   HD21  ASN  19          1HD2      ASN  19  -0.442  12.369  -5.057
  160   HD22  ASN  19          2HD2      ASN  19  -1.664  12.046  -6.242
  161    H    LEU  20           H        LEU  20   0.396   9.274  -2.403
  162    HA   LEU  20           HA       LEU  20  -0.344   7.541  -4.565
  163    HB2  LEU  20          1HB       LEU  20   2.204   8.047  -3.040
  164    HB3  LEU  20          2HB       LEU  20   2.073   6.789  -4.253
  165    HG   LEU  20           HG       LEU  20   1.088   9.273  -5.341
  166   HD11  LEU  20          1HD1      LEU  20   3.978   9.630  -4.827
  167   HD12  LEU  20          2HD1      LEU  20   2.662  10.826  -4.917
  168   HD13  LEU  20          3HD1      LEU  20   2.908   9.884  -3.427
  169   HD21  LEU  20          1HD2      LEU  20   2.191   7.062  -6.335
  170   HD22  LEU  20          2HD2      LEU  20   2.262   8.628  -7.178
  171   HD23  LEU  20          3HD2      LEU  20   3.661   8.061  -6.233
  172    H    CYS  21           H        CYS  21   0.012   5.164  -4.499
  173    HA   CYS  21           HA       CYS  21  -0.875   4.163  -1.906
  174    HB2  CYS  21          1HB       CYS  21  -1.050   2.828  -4.626
  175    HB3  CYS  21          2HB       CYS  21  -1.716   2.215  -3.127
  176    H    TYR  22           H        TYR  22   0.342   2.558  -0.826
  177    HA   TYR  22           HA       TYR  22   2.790   1.678  -2.189
  178    HB2  TYR  22          1HB       TYR  22   4.017   2.268  -0.178
  179    HB3  TYR  22          2HB       TYR  22   2.944   3.630  -0.427
  180    HD1  TYR  22          1HD       TYR  22   3.143   0.374   1.415
  181    HD2  TYR  22          2HD       TYR  22   1.546   4.342   1.310
  182    HE1  TYR  22          1HE       TYR  22   2.193   0.061   3.752
  183    HE2  TYR  22          2HE       TYR  22   0.602   4.016   3.648
  184    HH   TYR  22           HH       TYR  22   0.549   0.911   5.152
  185    H    LYS  23           H        LYS  23   3.504  -0.430  -1.675
  186    HA   LYS  23           HA       LYS  23   1.697  -1.928   0.088
  187    HB2  LYS  23          1HB       LYS  23   1.835  -2.182  -2.694
  188    HB3  LYS  23          2HB       LYS  23   2.798  -3.517  -2.095
  189    HG2  LYS  23          1HG       LYS  23   0.888  -4.102  -0.516
  190    HG3  LYS  23          2HG       LYS  23  -0.073  -2.855  -1.287
  191    HD2  LYS  23          1HD       LYS  23   0.995  -5.425  -2.511
  192    HD3  LYS  23          2HD       LYS  23  -0.672  -4.897  -2.395
  193    HE2  LYS  23          1HE       LYS  23   0.341  -2.817  -3.846
  194    HE3  LYS  23          2HE       LYS  23   1.449  -4.077  -4.351
  195    HZ1  LYS  23          1HZ       LYS  23  -0.685  -3.823  -5.629
  196    HZ2  LYS  23          2HZ       LYS  23  -0.292  -5.341  -5.174
  197    HZ3  LYS  23          3HZ       LYS  23  -1.443  -4.517  -4.360
  198    H    MET  24           H        MET  24   2.741  -2.888   1.745
  199    HA   MET  24           HA       MET  24   5.627  -3.124   1.455
  200    HB2  MET  24          1HB       MET  24   3.717  -2.660   3.763
  201    HB3  MET  24          2HB       MET  24   5.232  -3.466   4.116
  202    HG2  MET  24          1HG       MET  24   6.499  -1.569   3.714
  203    HG3  MET  24          2HG       MET  24   5.468  -1.021   2.408
  204    HE1  MET  24          1HE       MET  24   5.760  -1.221   6.427
  205    HE2  MET  24          2HE       MET  24   4.063  -0.821   6.786
  206    HE3  MET  24          3HE       MET  24   4.454  -2.285   5.852
  207    H    PHE  25           H        PHE  25   6.710  -5.090   1.971
  208    HA   PHE  25           HA       PHE  25   4.925  -7.364   2.460
  209    HB2  PHE  25          1HB       PHE  25   7.242  -6.942   0.491
  210    HB3  PHE  25          2HB       PHE  25   6.701  -8.554   0.917
  211    HD1  PHE  25          1HD       PHE  25   4.948  -9.542  -0.258
  212    HD2  PHE  25          2HD       PHE  25   5.465  -5.336  -0.486
  213    HE1  PHE  25          1HE       PHE  25   3.187  -9.424  -2.043
  214    HE2  PHE  25          2HE       PHE  25   3.704  -5.218  -2.271
  215    HZ   PHE  25           HZ       PHE  25   2.586  -7.262  -3.027
  216    H    MET  26           H        MET  26   6.450  -9.409   2.976
  217    HA   MET  26           HA       MET  26   8.619  -8.462   4.671
  218    HB2  MET  26          1HB       MET  26   6.379 -10.432   5.389
  219    HB3  MET  26          2HB       MET  26   7.822 -10.237   6.364
  220    HG2  MET  26          1HG       MET  26   7.283  -7.806   6.671
  221    HG3  MET  26          2HG       MET  26   5.836  -8.006   5.702
  222    HE1  MET  26          1HE       MET  26   3.580 -10.261   7.533
  223    HE2  MET  26          2HE       MET  26   4.507 -10.147   6.018
  224    HE3  MET  26          3HE       MET  26   5.001 -11.303   7.279
  225    H    MET  27           H        MET  27  10.162 -10.267   5.299
  226    HA   MET  27           HA       MET  27  10.972 -11.619   3.052
  227    HB2  MET  27          1HB       MET  27  11.555 -11.765   6.025
  228    HB3  MET  27          2HB       MET  27  12.210 -13.035   5.009
  229    HG2  MET  27          1HG       MET  27  12.589 -10.139   4.190
  230    HG3  MET  27          2HG       MET  27  13.616 -10.821   5.436
  231    HE1  MET  27          1HE       MET  27  15.263 -12.051   5.327
  232    HE2  MET  27          2HE       MET  27  15.765 -13.247   4.107
  233    HE3  MET  27          3HE       MET  27  16.267 -11.546   3.946
  234    H    SER  28           H        SER  28   8.364 -12.336   5.175
  235    HA   SER  28           HA       SER  28   8.491 -15.109   5.189
  236    HB2  SER  28          1HB       SER  28   7.031 -13.995   6.739
  237    HB3  SER  28          2HB       SER  28   6.202 -13.129   5.461
  238    HG   SER  28           HG       SER  28   5.208 -15.058   4.768
  239    H    ASP  29           H        ASP  29   6.887 -12.737   2.973
  240    HA   ASP  29           HA       ASP  29   7.126 -14.580   0.843
  241    HB2  ASP  29          1HB       ASP  29   4.429 -14.058   0.520
  242    HB3  ASP  29          2HB       ASP  29   5.089 -15.568   1.119
  243    H    LEU  30           H        LEU  30   8.099 -12.938  -0.416
  244    HA   LEU  30           HA       LEU  30   7.155 -10.256  -0.330
  245    HB2  LEU  30          1HB       LEU  30   9.168 -11.727  -2.022
  246    HB3  LEU  30          2HB       LEU  30   8.777 -10.038  -2.283
  247    HG   LEU  30           HG       LEU  30   9.710 -11.056   0.404
  248   HD11  LEU  30          1HD1      LEU  30  11.472 -10.007  -1.830
  249   HD12  LEU  30          2HD1      LEU  30  11.986 -10.446  -0.182
  250   HD13  LEU  30          3HD1      LEU  30  11.379 -11.701  -1.289
  251   HD21  LEU  30          1HD2      LEU  30   8.713  -8.592  -0.446
  252   HD22  LEU  30          2HD2      LEU  30   9.581  -8.939   1.068
  253   HD23  LEU  30          3HD2      LEU  30  10.476  -8.362  -0.358
  254    H    THR  31           H        THR  31   6.052 -13.124  -1.841
  255    HA   THR  31           HA       THR  31   5.065 -11.882  -4.236
  256    HB   THR  31           HB       THR  31   5.384 -14.545  -3.073
  257    HG1  THR  31          1HG       THR  31   6.115 -14.371  -5.162
  258   HG21  THR  31          1HG2      THR  31   2.665 -13.765  -4.207
  259   HG22  THR  31          2HG2      THR  31   3.324 -15.400  -4.455
  260   HG23  THR  31          3HG2      THR  31   3.018 -14.805  -2.806
  261    H    ILE  32           H        ILE  32   4.033 -12.127  -0.911
  262    HA   ILE  32           HA       ILE  32   1.487 -10.933  -1.738
  263    HB   ILE  32           HB       ILE  32   1.500 -12.650   0.677
  264   HG12  ILE  32          1HG1      ILE  32   1.442 -13.836  -2.114
  265   HG13  ILE  32          2HG1      ILE  32   2.751 -14.019  -0.962
  266   HG21  ILE  32          1HG2      ILE  32  -0.619 -11.977   0.467
  267   HG22  ILE  32          2HG2      ILE  32  -0.400 -11.501  -1.235
  268   HG23  ILE  32          3HG2      ILE  32  -0.737 -13.199  -0.822
  269   HD11  ILE  32          1HD1      ILE  32   1.673 -15.785  -0.050
  270   HD12  ILE  32          2HD1      ILE  32   0.343 -14.703   0.431
  271   HD13  ILE  32          3HD1      ILE  32   0.294 -15.528  -1.146
  272    H    PRO  33           H        PRO  33   0.912  -8.813  -1.211
  273    HA   PRO  33           HA       PRO  33   3.012  -7.801   0.952
  274   1HB   PRO  33          1HB       PRO  33   0.736  -6.240   0.906
  275   2HB   PRO  33          2HB       PRO  33   1.945  -6.228  -0.328
  276   1HG   PRO  33          1HG       PRO  33  -0.727  -7.693  -0.267
  277   2HG   PRO  33          2HG       PRO  33   0.032  -6.856  -1.585
  278   1HD   PRO  33          1HD       PRO  33   0.183  -9.581  -1.393
  279   2HD   PRO  33          2HD       PRO  33   1.425  -8.633  -2.156
  280    H    VAL  34           H        VAL  34   2.811  -6.799   3.041
  281    HA   VAL  34           HA       VAL  34   1.150  -8.418   4.833
  282    HB   VAL  34           HB       VAL  34   3.504  -8.605   5.253
  283   HG11  VAL  34          1HG1      VAL  34   4.684  -6.402   6.065
  284   HG12  VAL  34          2HG1      VAL  34   4.586  -6.781   4.330
  285   HG13  VAL  34          3HG1      VAL  34   3.458  -5.608   5.049
  286   HG21  VAL  34          1HG2      VAL  34   2.342  -8.716   7.274
  287   HG22  VAL  34          2HG2      VAL  34   3.586  -7.484   7.595
  288   HG23  VAL  34          3HG2      VAL  34   1.913  -6.989   7.240
  289    H    LYS  35           H        LYS  35   2.045  -5.097   3.820
  290    HA   LYS  35           HA       LYS  35  -0.327  -4.174   5.277
  291    HB2  LYS  35          1HB       LYS  35   2.234  -2.578   5.060
  292    HB3  LYS  35          2HB       LYS  35   0.807  -2.195   5.999
  293    HG2  LYS  35          1HG       LYS  35   1.948  -4.869   6.609
  294    HG3  LYS  35          2HG       LYS  35   3.042  -3.545   6.956
  295    HD2  LYS  35          1HD       LYS  35   1.911  -3.280   8.911
  296    HD3  LYS  35          2HD       LYS  35   0.604  -2.604   7.960
  297    HE2  LYS  35          1HE       LYS  35  -0.685  -4.522   8.100
  298    HE3  LYS  35          2HE       LYS  35   0.703  -5.593   8.051
  299    HZ1  LYS  35          1HZ       LYS  35  -0.116  -5.708  10.202
  300    HZ2  LYS  35          2HZ       LYS  35   1.185  -4.732  10.345
  301    HZ3  LYS  35          3HZ       LYS  35  -0.317  -4.094  10.348
  302    H    ARG  36           H        ARG  36  -1.492  -2.448   4.253
  303    HA   ARG  36           HA       ARG  36  -0.540  -1.734   1.629
  304    HB2  ARG  36          1HB       ARG  36  -3.131  -3.209   2.218
  305    HB3  ARG  36          2HB       ARG  36  -3.032  -2.142   0.833
  306    HG2  ARG  36          1HG       ARG  36  -0.725  -3.549   0.458
  307    HG3  ARG  36          2HG       ARG  36  -1.656  -4.763   1.313
  308    HD2  ARG  36          1HD       ARG  36  -3.554  -3.895  -0.469
  309    HD3  ARG  36          2HD       ARG  36  -2.104  -3.596  -1.408
  310    HE   ARG  36           HE       ARG  36  -1.957  -6.216  -0.218
  311   HH11  ARG  36          1HH1      ARG  36  -3.103  -7.931  -3.033
  312   HH12  ARG  36          2HH1      ARG  36  -2.292  -8.071  -1.508
  313   HH21  ARG  36          1HH2      ARG  36  -3.850  -5.859  -3.763
  314   HH22  ARG  36          2HH2      ARG  36  -3.597  -4.452  -2.784
  315    H    GLY  37           H        GLY  37  -0.701   0.484   1.509
  316    HA2  GLY  37          1HA       GLY  37  -3.108   1.831   2.327
  317    HA3  GLY  37          2HA       GLY  37  -1.751   2.139   3.393
  318    H    CYS  38           H        CYS  38  -2.173   4.425   2.514
  319    HA   CYS  38           HA       CYS  38  -0.797   4.736  -0.054
  320    HB2  CYS  38          1HB       CYS  38  -2.922   6.464   1.243
  321    HB3  CYS  38          2HB       CYS  38  -1.968   6.983  -0.131
  322    H    ILE  39           H        ILE  39   0.608   6.748  -0.167
  323    HA   ILE  39           HA       ILE  39   1.389   7.852   2.385
  324    HB   ILE  39           HB       ILE  39   2.660   5.731   2.183
  325   HG12  ILE  39          1HG1      ILE  39   4.749   7.826   1.970
  326   HG13  ILE  39          2HG1      ILE  39   3.464   8.153   3.116
  327   HG21  ILE  39          1HG2      ILE  39   2.879   6.273  -0.459
  328   HG22  ILE  39          2HG2      ILE  39   4.461   6.850   0.118
  329   HG23  ILE  39          3HG2      ILE  39   3.959   5.171   0.429
  330   HD11  ILE  39          1HD1      ILE  39   5.087   5.568   3.019
  331   HD12  ILE  39          2HD1      ILE  39   5.358   6.908   4.160
  332   HD13  ILE  39          3HD1      ILE  39   3.841   5.977   4.224
  333    H    ASP  40           H        ASP  40   2.949   9.694   2.072
  334    HA   ASP  40           HA       ASP  40   2.108  11.123  -0.241
  335    HB2  ASP  40          1HB       ASP  40   2.374  12.140   2.060
  336    HB3  ASP  40          2HB       ASP  40   4.104  11.892   1.939
  337    H    VAL  41           H        VAL  41   5.134   9.729   1.168
  338    HA   VAL  41           HA       VAL  41   6.391  10.054  -1.466
  339    HB   VAL  41           HB       VAL  41   7.604  10.486   1.270
  340   HG11  VAL  41          1HG1      VAL  41   9.388  11.187  -0.861
  341   HG12  VAL  41          2HG1      VAL  41   9.610   9.988   0.436
  342   HG13  VAL  41          3HG1      VAL  41   8.849   9.507  -1.099
  343   HG21  VAL  41          1HG2      VAL  41   7.566  12.447  -1.026
  344   HG22  VAL  41          2HG2      VAL  41   6.204  12.326   0.111
  345   HG23  VAL  41          3HG2      VAL  41   7.826  12.750   0.708
  346    H    CYS  42           H        CYS  42   7.616   8.284  -2.194
  347    HA   CYS  42           HA       CYS  42   6.822   5.803  -1.191
  348    HB2  CYS  42          1HB       CYS  42   7.544   6.341  -3.559
  349    HB3  CYS  42          2HB       CYS  42   9.203   6.335  -2.993
  350    H    PRO  43           H        PRO  43   7.114   4.648   0.797
  351    HA   PRO  43           HA       PRO  43   9.940   5.428   2.040
  352   1HB   PRO  43          1HB       PRO  43   8.671   2.743   2.253
  353   2HB   PRO  43          2HB       PRO  43   8.981   3.900   3.499
  354   1HG   PRO  43          1HG       PRO  43   6.458   3.575   2.591
  355   2HG   PRO  43          2HG       PRO  43   7.035   5.181   2.902
  356   1HD   PRO  43          1HD       PRO  43   6.921   3.800   0.203
  357   2HD   PRO  43          2HD       PRO  43   6.323   5.375   0.630
  358    H    LYS  44           H        LYS  44  11.659   3.810   2.723
  359    HA   LYS  44           HA       LYS  44  13.131   3.103   0.383
  360    HB2  LYS  44          1HB       LYS  44  13.699   2.783   3.343
  361    HB3  LYS  44          2HB       LYS  44  14.829   2.352   2.075
  362    HG2  LYS  44          1HG       LYS  44  14.335   4.834   1.212
  363    HG3  LYS  44          2HG       LYS  44  13.823   5.092   2.869
  364    HD2  LYS  44          1HD       LYS  44  16.035   5.511   3.271
  365    HD3  LYS  44          2HD       LYS  44  16.200   3.768   3.287
  366    HE2  LYS  44          1HE       LYS  44  17.731   4.088   1.620
  367    HE3  LYS  44          2HE       LYS  44  16.338   4.273   0.573
  368    HZ1  LYS  44          1HZ       LYS  44  17.022   6.320   0.225
  369    HZ2  LYS  44          2HZ       LYS  44  16.714   6.702   1.782
  370    HZ3  LYS  44          3HZ       LYS  44  18.207   6.207   1.342
  371    H    ASN  45           H        ASN  45  14.435   0.722   1.177
  372    HA   ASN  45           HA       ASN  45  12.337  -1.195   1.588
  373    HB2  ASN  45          1HB       ASN  45  14.149  -1.422  -0.865
  374    HB3  ASN  45          2HB       ASN  45  12.788  -2.452  -0.462
  375   HD21  ASN  45          1HD2      ASN  45  13.618   0.964  -1.010
  376   HD22  ASN  45          2HD2      ASN  45  12.178   1.409  -1.864
  377    H    SER  46           H        SER  46  13.207  -3.088   2.591
  378    HA   SER  46           HA       SER  46  16.119  -3.150   2.743
  379    HB2  SER  46          1HB       SER  46  15.882  -4.028   5.061
  380    HB3  SER  46          2HB       SER  46  15.218  -2.416   4.896
  381    HG   SER  46           HG       SER  46  13.084  -3.611   4.497
  382    H    LEU  47           H        LEU  47  16.665  -5.556   3.827
  383    HA   LEU  47           HA       LEU  47  15.629  -7.374   1.839
  384    HB2  LEU  47          1HB       LEU  47  17.696  -7.843   3.987
  385    HB3  LEU  47          2HB       LEU  47  17.370  -8.858   2.596
  386    HG   LEU  47           HG       LEU  47  17.960  -6.227   1.641
  387   HD11  LEU  47          1HD1      LEU  47  20.274  -7.236   3.269
  388   HD12  LEU  47          2HD1      LEU  47  19.982  -5.619   2.583
  389   HD13  LEU  47          3HD1      LEU  47  19.056  -6.165   4.003
  390   HD21  LEU  47          1HD2      LEU  47  19.445  -7.326   0.251
  391   HD22  LEU  47          2HD2      LEU  47  19.860  -8.548   1.477
  392   HD23  LEU  47          3HD2      LEU  47  18.282  -8.613   0.654
  393    H    LEU  48           H        LEU  48  14.377  -6.218   4.630
  394    HA   LEU  48           HA       LEU  48  13.403  -8.852   5.483
  395    HB2  LEU  48          1HB       LEU  48  13.376  -6.261   7.030
  396    HB3  LEU  48          2HB       LEU  48  12.919  -7.847   7.616
  397    HG   LEU  48           HG       LEU  48  15.379  -8.508   7.035
  398   HD11  LEU  48          1HD1      LEU  48  16.522  -6.030   7.734
  399   HD12  LEU  48          2HD1      LEU  48  16.678  -6.918   6.199
  400   HD13  LEU  48          3HD1      LEU  48  15.393  -5.701   6.399
  401   HD21  LEU  48          1HD2      LEU  48  15.714  -6.868   9.358
  402   HD22  LEU  48          2HD2      LEU  48  14.072  -7.556   9.363
  403   HD23  LEU  48          3HD2      LEU  48  15.487  -8.629   9.245
  404    H    VAL  49           H        VAL  49  12.447  -5.433   4.774
  405    HA   VAL  49           HA       VAL  49   9.791  -6.496   4.104
  406    HB   VAL  49           HB       VAL  49   9.468  -5.370   6.130
  407   HG11  VAL  49          1HG1      VAL  49  10.348  -3.115   6.626
  408   HG12  VAL  49          2HG1      VAL  49  11.649  -4.295   6.336
  409   HG13  VAL  49          3HG1      VAL  49  11.214  -3.122   5.071
  410   HG21  VAL  49          1HG2      VAL  49   7.708  -4.640   4.836
  411   HG22  VAL  49          2HG2      VAL  49   8.422  -3.084   5.317
  412   HG23  VAL  49          3HG2      VAL  49   8.758  -3.755   3.704
  413    H    LYS  50           H        LYS  50   8.818  -5.637   2.229
  414    HA   LYS  50           HA       LYS  50  10.668  -4.034   0.605
  415    HB2  LYS  50          1HB       LYS  50  10.097  -6.437  -0.089
  416    HB3  LYS  50          2HB       LYS  50   8.488  -5.843  -0.450
  417    HG2  LYS  50          1HG       LYS  50   9.185  -4.870  -2.384
  418    HG3  LYS  50          2HG       LYS  50  10.508  -4.051  -1.578
  419    HD2  LYS  50          1HD       LYS  50  11.497  -6.598  -1.574
  420    HD3  LYS  50          2HD       LYS  50  10.491  -6.686  -3.007
  421    HE2  LYS  50          1HE       LYS  50  11.637  -4.428  -3.701
  422    HE3  LYS  50          2HE       LYS  50  12.821  -4.807  -2.467
  423    HZ1  LYS  50          1HZ       LYS  50  13.501  -5.672  -4.569
  424    HZ2  LYS  50          2HZ       LYS  50  13.179  -6.927  -3.575
  425    HZ3  LYS  50          3HZ       LYS  50  12.117  -6.521  -4.747
  426    H    TYR  51           H        TYR  51   9.630  -2.472  -0.910
  427    HA   TYR  51           HA       TYR  51   6.992  -1.600   0.016
  428    HB2  TYR  51          1HB       TYR  51   9.687  -0.157  -0.143
  429    HB3  TYR  51          2HB       TYR  51   8.217   0.775  -0.343
  430    HD1  TYR  51          1HD       TYR  51   6.754   1.237   1.537
  431    HD2  TYR  51          2HD       TYR  51  10.218  -1.227   2.025
  432    HE1  TYR  51          1HE       TYR  51   6.542   1.427   4.064
  433    HE2  TYR  51          2HE       TYR  51   9.994  -1.029   4.550
  434    HH   TYR  51           HH       TYR  51   7.229   0.637   5.990
  435    H    VAL  52           H        VAL  52   5.634  -1.254  -1.671
  436    HA   VAL  52           HA       VAL  52   6.880  -0.599  -4.250
  437    HB   VAL  52           HB       VAL  52   4.380  -2.239  -4.044
  438   HG11  VAL  52          1HG1      VAL  52   5.207  -3.119  -6.214
  439   HG12  VAL  52          2HG1      VAL  52   4.975  -1.355  -6.228
  440   HG13  VAL  52          3HG1      VAL  52   6.614  -2.035  -6.091
  441   HG21  VAL  52          1HG2      VAL  52   7.192  -3.383  -3.952
  442   HG22  VAL  52          2HG2      VAL  52   6.032  -3.376  -2.602
  443   HG23  VAL  52          3HG2      VAL  52   5.677  -4.307  -4.076
  444    H    CYS  53           H        CYS  53   6.385   1.502  -4.627
  445    HA   CYS  53           HA       CYS  53   3.773   2.428  -3.721
  446    HB2  CYS  53          1HB       CYS  53   6.016   4.181  -4.741
  447    HB3  CYS  53          2HB       CYS  53   4.632   4.640  -3.768
  448    H    CYS  54           H        CYS  54   2.328   3.461  -5.238
  449    HA   CYS  54           HA       CYS  54   3.152   3.417  -8.019
  450    HB2  CYS  54          1HB       CYS  54   0.912   2.317  -8.604
  451    HB3  CYS  54          2HB       CYS  54   2.188   1.280  -7.999
  452    H    ASN  55           H        ASN  55   2.036   5.032  -9.245
  453    HA   ASN  55           HA       ASN  55   0.626   6.906  -7.569
  454    HB2  ASN  55          1HB       ASN  55   0.972   8.495  -9.418
  455    HB3  ASN  55          2HB       ASN  55   2.487   7.672  -9.096
  456   HD21  ASN  55          1HD2      ASN  55   3.528   7.300 -10.888
  457   HD22  ASN  55          2HD2      ASN  55   2.879   6.723 -12.387
  458    H    THR  56           H        THR  56  -0.366   4.194  -8.879
  459    HA   THR  56           HA       THR  56  -2.524   5.240 -10.555
  460    HB   THR  56           HB       THR  56  -2.774   2.506 -10.551
  461    HG1  THR  56          1HG       THR  56  -0.339   1.940 -10.562
  462   HG21  THR  56          1HG2      THR  56  -0.443   3.175 -12.179
  463   HG22  THR  56          2HG2      THR  56  -2.092   2.774 -12.715
  464   HG23  THR  56          3HG2      THR  56  -1.669   4.457 -12.318
  465    H    ASP  57           H        ASP  57  -4.717   4.053 -10.212
  466    HA   ASP  57           HA       ASP  57  -5.344   4.543  -7.443
  467    HB2  ASP  57          1HB       ASP  57  -6.875   4.360 -10.031
  468    HB3  ASP  57          2HB       ASP  57  -7.750   3.987  -8.559
  469    H    ARG  58           H        ARG  58  -6.048   2.875  -6.032
  470    HA   ARG  58           HA       ARG  58  -6.233   0.862  -5.257
  471    HB2  ARG  58          1HB       ARG  58  -7.759   0.539  -7.879
  472    HB3  ARG  58          2HB       ARG  58  -7.691  -0.756  -6.700
  473    HG2  ARG  58          1HG       ARG  58  -9.212   0.261  -5.346
  474    HG3  ARG  58          2HG       ARG  58  -8.361   1.791  -5.410
  475    HD2  ARG  58          1HD       ARG  58  -9.784   1.046  -7.928
  476    HD3  ARG  58          2HD       ARG  58 -10.829   1.343  -6.554
  477    HE   ARG  58           HE       ARG  58  -8.778   3.400  -6.858
  478   HH11  ARG  58          1HH1      ARG  58 -11.020   5.748  -8.136
  479   HH12  ARG  58          2HH1      ARG  58  -9.440   5.498  -7.472
  480   HH21  ARG  58          1HH2      ARG  58 -12.466   3.950  -8.398
  481   HH22  ARG  58          2HH2      ARG  58 -11.963   2.360  -7.932
  482    H    CYS  59           H        CYS  59  -3.910   1.513  -7.173
  483    HA   CYS  59           HA       CYS  59  -3.311  -0.755  -8.673
  484    HB2  CYS  59          1HB       CYS  59  -0.922   0.135  -8.498
  485    HB3  CYS  59          2HB       CYS  59  -2.118   1.196  -9.217
  486    H    ASN  60           H        ASN  60  -2.894   0.145  -5.236
  487    HA   ASN  60           HA       ASN  60  -1.301  -2.199  -4.765
  488    HB2  ASN  60          1HB       ASN  60  -0.984  -1.314  -2.542
  489    HB3  ASN  60          2HB       ASN  60  -0.944   0.079  -3.603
  490   HD21  ASN  60          1HD2      ASN  60  -1.816  -0.588  -0.718
  491   HD22  ASN  60          2HD2      ASN  60  -3.333   0.225  -0.526
  492    H1   HOH 101          1H        HOH  61   4.792 -11.190   2.705
  493    H2   HOH 101          2H        HOH  61   3.781 -10.094   2.971
  Start of MODEL    3
    1    H1   LEU   1           H        LEU   1  -5.290  10.463  -4.446
    2    HA   LEU   1           HA       LEU   1  -6.677   8.557  -5.972
    3    HB2  LEU   1          1HB       LEU   1  -3.986   9.189  -5.244
    4    HB3  LEU   1          2HB       LEU   1  -4.247   7.479  -4.965
    5    HG   LEU   1           HG       LEU   1  -5.146   7.330  -7.333
    6   HD11  LEU   1          1HD1      LEU   1  -5.339   9.105  -8.658
    7   HD12  LEU   1          2HD1      LEU   1  -5.078  10.104  -7.208
    8   HD13  LEU   1          3HD1      LEU   1  -3.703   9.682  -8.256
    9   HD21  LEU   1          1HD2      LEU   1  -2.375   8.223  -7.711
   10   HD22  LEU   1          2HD2      LEU   1  -2.601   7.106  -6.344
   11   HD23  LEU   1          3HD2      LEU   1  -3.121   6.631  -7.978
   12    H    LYS   2           H        LYS   2  -6.876   6.205  -5.462
   13    HA   LYS   2           HA       LYS   2  -7.511   5.871  -2.612
   14    HB2  LYS   2          1HB       LYS   2  -8.917   4.854  -5.087
   15    HB3  LYS   2          2HB       LYS   2  -9.173   4.139  -3.508
   16    HG2  LYS   2          1HG       LYS   2 -10.011   6.218  -2.592
   17    HG3  LYS   2          2HG       LYS   2  -9.460   7.135  -3.979
   18    HD2  LYS   2          1HD       LYS   2 -11.150   5.084  -5.025
   19    HD3  LYS   2          2HD       LYS   2 -11.976   5.709  -3.613
   20    HE2  LYS   2          1HE       LYS   2 -10.773   7.635  -5.626
   21    HE3  LYS   2          2HE       LYS   2 -12.323   6.887  -5.955
   22    HZ1  LYS   2          1HZ       LYS   2 -11.888   9.062  -4.397
   23    HZ2  LYS   2          2HZ       LYS   2 -13.280   8.213  -4.496
   24    HZ3  LYS   2          3HZ       LYS   2 -12.201   7.877  -3.316
   25    H    CYS   3           H        CYS   3  -7.005   3.829  -1.636
   26    HA   CYS   3           HA       CYS   3  -5.258   2.144  -3.259
   27    HB2  CYS   3          1HB       CYS   3  -4.526   2.814  -0.409
   28    HB3  CYS   3          2HB       CYS   3  -3.538   2.067  -1.647
   29    H    ASN   4           H        ASN   4  -5.292  -0.107  -2.578
   30    HA   ASN   4           HA       ASN   4  -7.721  -0.740  -1.206
   31    HB2  ASN   4          1HB       ASN   4  -5.629  -2.717  -2.224
   32    HB3  ASN   4          2HB       ASN   4  -7.343  -3.003  -1.995
   33   HD21  ASN   4          1HD2      ASN   4  -6.119  -3.607  -4.350
   34   HD22  ASN   4          2HD2      ASN   4  -6.653  -2.557  -5.620
   35    H    LYS   5           H        LYS   5  -7.630  -2.555   0.535
   36    HA   LYS   5           HA       LYS   5  -5.431  -1.947   2.345
   37    HB2  LYS   5          1HB       LYS   5  -8.077  -3.357   2.807
   38    HB3  LYS   5          2HB       LYS   5  -6.881  -3.024   4.042
   39    HG2  LYS   5          1HG       LYS   5  -8.473  -1.001   2.411
   40    HG3  LYS   5          2HG       LYS   5  -8.525  -1.248   4.145
   41    HD2  LYS   5          1HD       LYS   5  -6.200  -0.117   2.528
   42    HD3  LYS   5          2HD       LYS   5  -7.191   0.744   3.689
   43    HE2  LYS   5          1HE       LYS   5  -6.326  -1.259   5.307
   44    HE3  LYS   5          2HE       LYS   5  -4.991  -1.250   4.172
   45    HZ1  LYS   5          1HZ       LYS   5  -4.442   0.880   4.733
   46    HZ2  LYS   5          2HZ       LYS   5  -5.928   1.273   5.284
   47    HZ3  LYS   5          3HZ       LYS   5  -4.954   0.315   6.178
   48    H    LEU   6           H        LEU   6  -5.229  -4.209   3.884
   49    HA   LEU   6           HA       LEU   6  -3.444  -5.754   2.564
   50    HB2  LEU   6          1HB       LEU   6  -4.144  -5.612   5.054
   51    HB3  LEU   6          2HB       LEU   6  -5.244  -6.918   4.665
   52    HG   LEU   6           HG       LEU   6  -3.490  -8.419   4.172
   53   HD11  LEU   6          1HD1      LEU   6  -1.693  -5.992   4.071
   54   HD12  LEU   6          2HD1      LEU   6  -1.071  -7.657   4.181
   55   HD13  LEU   6          3HD1      LEU   6  -2.052  -7.164   2.779
   56   HD21  LEU   6          1HD2      LEU   6  -2.070  -7.089   6.403
   57   HD22  LEU   6          2HD2      LEU   6  -3.805  -7.401   6.653
   58   HD23  LEU   6          3HD2      LEU   6  -2.706  -8.745   6.260
   59    H    VAL   7           H        VAL   7  -7.009  -6.286   2.829
   60    HA   VAL   7           HA       VAL   7  -6.717  -8.396   0.813
   61    HB   VAL   7           HB       VAL   7  -9.219  -7.869   2.370
   62   HG11  VAL   7          1HG1      VAL   7  -8.709  -9.637   0.426
   63   HG12  VAL   7          2HG1      VAL   7  -8.130 -10.591   1.813
   64   HG13  VAL   7          3HG1      VAL   7  -9.807  -9.996   1.781
   65   HG21  VAL   7          1HG2      VAL   7  -6.752  -9.283   3.432
   66   HG22  VAL   7          2HG2      VAL   7  -7.566  -7.858   4.120
   67   HG23  VAL   7          3HG2      VAL   7  -8.380  -9.440   4.136
   68    H    PRO   8           H        PRO   8  -6.645  -7.963  -1.407
   69    HA   PRO   8           HA       PRO   8  -7.825  -5.164  -1.969
   70   1HB   PRO   8          1HB       PRO   8  -8.183  -7.542  -3.768
   71   2HB   PRO   8          2HB       PRO   8  -7.351  -6.061  -4.090
   72   1HG   PRO   8          1HG       PRO   8  -5.910  -8.242  -3.465
   73   2HG   PRO   8          2HG       PRO   8  -5.475  -6.733  -2.726
   74   1HD   PRO   8          1HD       PRO   8  -7.094  -8.964  -1.476
   75   2HD   PRO   8          2HD       PRO   8  -5.774  -8.066  -0.787
   76    H    ILE   9           H        ILE   9 -10.111  -7.296  -0.673
   77    HA   ILE   9           HA       ILE   9 -12.244  -6.547  -2.466
   78    HB   ILE   9           HB       ILE   9 -12.294  -8.760  -1.652
   79   HG12  ILE   9          1HG1      ILE   9 -14.474  -8.896  -0.653
   80   HG13  ILE   9          2HG1      ILE   9 -14.359  -7.270  -0.012
   81   HG21  ILE   9          1HG2      ILE   9 -11.005  -8.966   0.222
   82   HG22  ILE   9          2HG2      ILE   9 -11.678  -7.506   0.987
   83   HG23  ILE   9          3HG2      ILE   9 -12.624  -9.013   0.962
   84   HD11  ILE   9          1HD1      ILE   9 -15.626  -7.809  -2.331
   85   HD12  ILE   9          2HD1      ILE   9 -14.773  -6.270  -2.060
   86   HD13  ILE   9          3HD1      ILE   9 -13.984  -7.576  -2.976
   87    H    ALA  10           H        ALA  10 -10.502  -4.798  -0.351
   88    HA   ALA  10           HA       ALA  10 -12.711  -3.019   0.142
   89    HB1  ALA  10          1HB       ALA  10 -12.131  -2.899   2.614
   90    HB2  ALA  10          2HB       ALA  10 -12.956  -4.390   2.100
   91    HB3  ALA  10          3HB       ALA  10 -11.200  -4.398   2.391
   92    H    TYR  11           H        TYR  11 -12.012  -0.880   0.214
   93    HA   TYR  11           HA       TYR  11  -9.164  -0.395   0.559
   94    HB2  TYR  11          1HB       TYR  11  -9.037   0.687  -1.639
   95    HB3  TYR  11          2HB       TYR  11  -9.794  -0.869  -1.920
   96    HD1  TYR  11          1HD       TYR  11 -12.491  -0.797  -1.668
   97    HD2  TYR  11          2HD       TYR  11  -9.995   2.532  -2.664
   98    HE1  TYR  11          1HE       TYR  11 -14.470   0.370  -2.760
   99    HE2  TYR  11          2HE       TYR  11 -11.982   3.687  -3.752
  100    HH   TYR  11           HH       TYR  11 -14.753   2.102  -4.583
  101    H    LYS  12           H        LYS  12  -8.706   2.022   0.625
  102    HA   LYS  12           HA       LYS  12 -11.090   3.533   1.394
  103    HB2  LYS  12          1HB       LYS  12  -8.564   3.271   3.053
  104    HB3  LYS  12          2HB       LYS  12  -9.838   4.436   3.352
  105    HG2  LYS  12          1HG       LYS  12 -10.803   1.639   3.036
  106    HG3  LYS  12          2HG       LYS  12  -9.751   1.881   4.417
  107    HD2  LYS  12          1HD       LYS  12 -11.288   3.175   5.533
  108    HD3  LYS  12          2HD       LYS  12 -11.796   4.014   4.079
  109    HE2  LYS  12          1HE       LYS  12 -12.559   1.108   4.585
  110    HE3  LYS  12          2HE       LYS  12 -13.519   2.429   5.220
  111    HZ1  LYS  12          1HZ       LYS  12 -13.600   3.271   2.897
  112    HZ2  LYS  12          2HZ       LYS  12 -12.935   1.864   2.403
  113    HZ3  LYS  12          3HZ       LYS  12 -14.391   1.864   3.139
  114    H    THR  13           H        THR  13  -9.926   5.947   2.024
  115    HA   THR  13           HA       THR  13  -8.758   6.662  -0.562
  116    HB   THR  13           HB       THR  13  -9.894   8.671  -0.279
  117    HG1  THR  13          1HG       THR  13  -9.997   9.577   1.936
  118   HG21  THR  13          1HG2      THR  13 -11.537   6.712   0.421
  119   HG22  THR  13          2HG2      THR  13 -11.317   7.359   2.065
  120   HG23  THR  13          3HG2      THR  13 -12.000   8.391   0.785
  121    H    CYS  14           H        CYS  14  -6.788   7.665  -0.822
  122    HA   CYS  14           HA       CYS  14  -4.869   7.064   1.123
  123    HB2  CYS  14          1HB       CYS  14  -4.622   8.966  -1.231
  124    HB3  CYS  14          2HB       CYS  14  -3.300   8.246  -0.335
  125    H    PRO  15           H        PRO  15  -4.645   7.714   3.336
  126    HA   PRO  15           HA       PRO  15  -6.441  10.263   3.682
  127   1HB   PRO  15          1HB       PRO  15  -4.583  10.018   5.740
  128   2HB   PRO  15          2HB       PRO  15  -5.990   9.033   5.554
  129   1HG   PRO  15          1HG       PRO  15  -3.115   8.457   4.721
  130   2HG   PRO  15          2HG       PRO  15  -4.279   7.391   5.446
  131   1HD   PRO  15          1HD       PRO  15  -3.833   7.257   2.780
  132   2HD   PRO  15          2HD       PRO  15  -5.415   6.959   3.440
  133    H    GLU  16           H        GLU  16  -5.372  12.030   5.423
  134    HA   GLU  16           HA       GLU  16  -4.660  14.112   3.796
  135    HB2  GLU  16          1HB       GLU  16  -4.188  13.730   6.785
  136    HB3  GLU  16          2HB       GLU  16  -4.018  15.265   5.958
  137    HG2  GLU  16          1HG       GLU  16  -6.582  13.605   5.944
  138    HG3  GLU  16          2HG       GLU  16  -6.277  14.916   7.066
  139    H    GLY  17           H        GLY  17  -2.781  14.700   2.794
  140    HA2  GLY  17          1HA       GLY  17  -0.515  15.071   2.637
  141    HA3  GLY  17          2HA       GLY  17  -0.226  14.034   4.019
  142    H    LYS  18           H        LYS  18  -1.887  11.774   3.035
  143    HA   LYS  18           HA       LYS  18   0.099  10.675   1.243
  144    HB2  LYS  18          1HB       LYS  18  -2.225   9.462   2.762
  145    HB3  LYS  18          2HB       LYS  18  -1.205   8.551   1.666
  146    HG2  LYS  18          1HG       LYS  18  -0.060   8.180   3.656
  147    HG3  LYS  18          2HG       LYS  18   0.777   9.617   3.104
  148    HD2  LYS  18          1HD       LYS  18  -1.574  10.472   4.542
  149    HD3  LYS  18          2HD       LYS  18  -0.763   9.264   5.518
  150    HE2  LYS  18          1HE       LYS  18   1.341  10.874   4.535
  151    HE3  LYS  18          2HE       LYS  18   0.065  12.018   4.903
  152    HZ1  LYS  18          1HZ       LYS  18  -0.110  10.888   7.087
  153    HZ2  LYS  18          2HZ       LYS  18   1.241  10.043   6.727
  154    HZ3  LYS  18          3HZ       LYS  18   1.303  11.671   6.849
  155    H    ASN  19           H        ASN  19  -0.288   9.945  -0.870
  156    HA   ASN  19           HA       ASN  19  -2.948  10.429  -1.895
  157    HB2  ASN  19          1HB       ASN  19  -1.756  12.513  -2.425
  158    HB3  ASN  19          2HB       ASN  19  -0.369  11.627  -3.028
  159   HD21  ASN  19          1HD2      ASN  19  -0.279  12.114  -5.102
  160   HD22  ASN  19          2HD2      ASN  19  -1.542  11.905  -6.269
  161    H    LEU  20           H        LEU  20   0.456   9.304  -2.401
  162    HA   LEU  20           HA       LEU  20  -0.288   7.583  -4.572
  163    HB2  LEU  20          1HB       LEU  20   2.246   8.125  -3.048
  164    HB3  LEU  20          2HB       LEU  20   2.135   6.798  -4.186
  165    HG   LEU  20           HG       LEU  20   1.182   9.308  -5.339
  166   HD11  LEU  20          1HD1      LEU  20   2.679  10.591  -4.178
  167   HD12  LEU  20          2HD1      LEU  20   3.842   9.259  -3.974
  168   HD13  LEU  20          3HD1      LEU  20   3.695  10.080  -5.546
  169   HD21  LEU  20          1HD2      LEU  20   3.560   8.013  -6.475
  170   HD22  LEU  20          2HD2      LEU  20   2.173   6.920  -6.248
  171   HD23  LEU  20          3HD2      LEU  20   1.989   8.401  -7.218
  172    H    CYS  21           H        CYS  21   0.040   5.204  -4.514
  173    HA   CYS  21           HA       CYS  21  -0.867   4.203  -1.927
  174    HB2  CYS  21          1HB       CYS  21  -1.056   2.906  -4.666
  175    HB3  CYS  21          2HB       CYS  21  -1.701   2.252  -3.174
  176    H    TYR  22           H        TYR  22   0.304   2.530  -0.875
  177    HA   TYR  22           HA       TYR  22   2.755   1.644  -2.226
  178    HB2  TYR  22          1HB       TYR  22   4.005   2.286  -0.279
  179    HB3  TYR  22          2HB       TYR  22   2.846   3.596  -0.403
  180    HD1  TYR  22          1HD       TYR  22   1.607   4.182   1.480
  181    HD2  TYR  22          2HD       TYR  22   3.215   0.226   1.206
  182    HE1  TYR  22          1HE       TYR  22   0.801   3.683   3.839
  183    HE2  TYR  22          2HE       TYR  22   2.404  -0.259   3.567
  184    HH   TYR  22           HH       TYR  22   0.757   2.259   5.459
  185    H    LYS  23           H        LYS  23   3.524  -0.446  -1.585
  186    HA   LYS  23           HA       LYS  23   1.688  -1.928   0.150
  187    HB2  LYS  23          1HB       LYS  23   1.734  -2.180  -2.632
  188    HB3  LYS  23          2HB       LYS  23   2.696  -3.532  -2.068
  189    HG2  LYS  23          1HG       LYS  23   0.818  -4.062  -0.410
  190    HG3  LYS  23          2HG       LYS  23  -0.146  -2.832  -1.204
  191    HD2  LYS  23          1HD       LYS  23   1.054  -5.278  -2.586
  192    HD3  LYS  23          2HD       LYS  23  -0.617  -5.131  -2.082
  193    HE2  LYS  23          1HE       LYS  23  -1.167  -3.866  -3.901
  194    HE3  LYS  23          2HE       LYS  23   0.227  -2.821  -3.703
  195    HZ1  LYS  23          1HZ       LYS  23   1.509  -4.183  -4.982
  196    HZ2  LYS  23          2HZ       LYS  23   0.625  -5.526  -4.699
  197    HZ3  LYS  23          3HZ       LYS  23   0.066  -4.380  -5.719
  198    H    MET  24           H        MET  24   2.818  -2.706   1.840
  199    HA   MET  24           HA       MET  24   5.671  -3.039   1.454
  200    HB2  MET  24          1HB       MET  24   3.804  -2.605   3.802
  201    HB3  MET  24          2HB       MET  24   5.322  -3.420   4.119
  202    HG2  MET  24          1HG       MET  24   6.596  -1.526   3.700
  203    HG3  MET  24          2HG       MET  24   5.521  -0.946   2.444
  204    HE1  MET  24          1HE       MET  24   6.484  -1.228   5.971
  205    HE2  MET  24          2HE       MET  24   5.418  -0.146   6.901
  206    HE3  MET  24          3HE       MET  24   4.864  -1.779   6.461
  207    H    PHE  25           H        PHE  25   6.775  -5.005   1.997
  208    HA   PHE  25           HA       PHE  25   4.990  -7.295   2.421
  209    HB2  PHE  25          1HB       PHE  25   7.354  -6.832   0.519
  210    HB3  PHE  25          2HB       PHE  25   6.822  -8.453   0.915
  211    HD1  PHE  25          1HD       PHE  25   5.543  -5.233  -0.453
  212    HD2  PHE  25          2HD       PHE  25   5.150  -9.458  -0.348
  213    HE1  PHE  25          1HE       PHE  25   3.826  -5.119  -2.280
  214    HE2  PHE  25          2HE       PHE  25   3.432  -9.343  -2.175
  215    HZ   PHE  25           HZ       PHE  25   2.792  -7.175  -3.119
  216    H    MET  26           H        MET  26   6.498  -9.336   2.968
  217    HA   MET  26           HA       MET  26   8.543  -8.371   4.811
  218    HB2  MET  26          1HB       MET  26   6.424 -10.551   5.209
  219    HB3  MET  26          2HB       MET  26   7.785 -10.346   6.294
  220    HG2  MET  26          1HG       MET  26   7.044  -7.969   6.726
  221    HG3  MET  26          2HG       MET  26   5.651  -8.237   5.698
  222    HE1  MET  26          1HE       MET  26   6.855  -8.003   9.033
  223    HE2  MET  26          2HE       MET  26   6.136  -9.292  10.027
  224    HE3  MET  26          3HE       MET  26   7.515  -9.654   8.961
  225    H    MET  27           H        MET  27  10.230 -10.030   5.360
  226    HA   MET  27           HA       MET  27  11.238 -11.171   3.075
  227    HB2  MET  27          1HB       MET  27  11.753 -11.400   6.051
  228    HB3  MET  27          2HB       MET  27  12.550 -12.561   5.008
  229    HG2  MET  27          1HG       MET  27  12.702  -9.536   4.602
  230    HG3  MET  27          2HG       MET  27  13.910 -10.463   5.466
  231    HE1  MET  27          1HE       MET  27  14.385  -8.694   2.491
  232    HE2  MET  27          2HE       MET  27  13.727  -9.650   1.141
  233    HE3  MET  27          3HE       MET  27  12.647  -9.073   2.434
  234    H    SER  28           H        SER  28   8.655 -12.252   5.067
  235    HA   SER  28           HA       SER  28   9.064 -14.998   4.946
  236    HB2  SER  28          1HB       SER  28   7.450 -14.311   6.506
  237    HB3  SER  28          2HB       SER  28   6.690 -13.194   5.392
  238    HG   SER  28           HG       SER  28   6.104 -15.847   5.871
  239    H    ASP  29           H        ASP  29   7.235 -12.693   2.827
  240    HA   ASP  29           HA       ASP  29   7.746 -14.339   0.592
  241    HB2  ASP  29          1HB       ASP  29   5.252 -14.568   0.014
  242    HB3  ASP  29          2HB       ASP  29   5.857 -15.635   1.265
  243    H    LEU  30           H        LEU  30   8.518 -12.465  -0.485
  244    HA   LEU  30           HA       LEU  30   7.157  -9.976  -0.267
  245    HB2  LEU  30          1HB       LEU  30   9.368 -10.900  -2.109
  246    HB3  LEU  30          2HB       LEU  30   8.814  -9.245  -1.946
  247    HG   LEU  30           HG       LEU  30   9.932 -10.841   0.369
  248   HD11  LEU  30          1HD1      LEU  30  11.688 -10.761  -1.247
  249   HD12  LEU  30          2HD1      LEU  30  11.379  -9.042  -1.590
  250   HD13  LEU  30          3HD1      LEU  30  12.035  -9.530  -0.010
  251   HD21  LEU  30          1HD2      LEU  30   9.158  -9.122   1.551
  252   HD22  LEU  30          2HD2      LEU  30  10.398  -8.123   0.755
  253   HD23  LEU  30          3HD2      LEU  30   8.751  -8.200   0.085
  254    H    THR  31           H        THR  31   6.483 -12.850  -1.934
  255    HA   THR  31           HA       THR  31   5.524 -11.694  -4.368
  256    HB   THR  31           HB       THR  31   5.962 -14.318  -3.161
  257    HG1  THR  31          1HG       THR  31   6.336 -14.632  -5.384
  258   HG21  THR  31          1HG2      THR  31   3.399 -13.967  -4.799
  259   HG22  THR  31          2HG2      THR  31   4.092 -15.505  -4.232
  260   HG23  THR  31          3HG2      THR  31   3.421 -14.344  -3.061
  261    H    ILE  32           H        ILE  32   4.315 -11.969  -1.109
  262    HA   ILE  32           HA       ILE  32   1.786 -10.874  -2.077
  263    HB   ILE  32           HB       ILE  32   2.195 -13.383  -0.551
  264   HG12  ILE  32          1HG1      ILE  32  -0.316 -12.838  -2.005
  265   HG13  ILE  32          2HG1      ILE  32   1.130 -12.741  -2.993
  266   HG21  ILE  32          1HG2      ILE  32  -0.258 -12.974   0.307
  267   HG22  ILE  32          2HG2      ILE  32   1.148 -12.408   1.242
  268   HG23  ILE  32          3HG2      ILE  32   0.230 -11.263   0.232
  269   HD11  ILE  32          1HD1      ILE  32   0.087 -15.100  -1.401
  270   HD12  ILE  32          2HD1      ILE  32   0.553 -15.029  -3.117
  271   HD13  ILE  32          3HD1      ILE  32   1.806 -15.006  -1.853
  272    H    PRO  33           H        PRO  33   1.096  -8.817  -1.450
  273    HA   PRO  33           HA       PRO  33   3.086  -7.871   0.825
  274   1HB   PRO  33          1HB       PRO  33   0.766  -6.360   0.775
  275   2HB   PRO  33          2HB       PRO  33   2.024  -6.258  -0.404
  276   1HG   PRO  33          1HG       PRO  33  -0.609  -7.783  -0.528
  277   2HG   PRO  33          2HG       PRO  33   0.191  -6.878  -1.775
  278   1HD   PRO  33          1HD       PRO  33   0.390  -9.603  -1.690
  279   2HD   PRO  33          2HD       PRO  33   1.650  -8.601  -2.351
  280    H    VAL  34           H        VAL  34   2.683  -6.836   2.918
  281    HA   VAL  34           HA       VAL  34   1.000  -8.558   4.603
  282    HB   VAL  34           HB       VAL  34   3.744  -7.990   4.717
  283   HG11  VAL  34          1HG1      VAL  34   2.982  -5.796   5.773
  284   HG12  VAL  34          2HG1      VAL  34   2.406  -6.774   7.146
  285   HG13  VAL  34          3HG1      VAL  34   4.133  -6.775   6.715
  286   HG21  VAL  34          1HG2      VAL  34   2.717  -9.005   7.229
  287   HG22  VAL  34          2HG2      VAL  34   1.866  -9.751   5.856
  288   HG23  VAL  34          3HG2      VAL  34   3.641  -9.843   5.959
  289    H    LYS  35           H        LYS  35   1.922  -5.265   3.621
  290    HA   LYS  35           HA       LYS  35  -0.382  -4.304   5.157
  291    HB2  LYS  35          1HB       LYS  35   1.500  -3.658   6.477
  292    HB3  LYS  35          2HB       LYS  35   2.397  -3.111   5.076
  293    HG2  LYS  35          1HG       LYS  35   1.308  -1.093   5.001
  294    HG3  LYS  35          2HG       LYS  35  -0.254  -1.810   5.344
  295    HD2  LYS  35          1HD       LYS  35   0.891  -2.173   7.777
  296    HD3  LYS  35          2HD       LYS  35   1.830  -0.789   7.256
  297    HE2  LYS  35          1HE       LYS  35  -0.510   0.252   6.607
  298    HE3  LYS  35          2HE       LYS  35  -1.172  -0.982   7.660
  299    HZ1  LYS  35          1HZ       LYS  35  -0.673   1.113   8.786
  300    HZ2  LYS  35          2HZ       LYS  35   0.129  -0.148   9.444
  301    HZ3  LYS  35          3HZ       LYS  35   0.920   0.908   8.481
  302    H    ARG  36           H        ARG  36  -1.558  -2.587   4.159
  303    HA   ARG  36           HA       ARG  36  -0.624  -1.843   1.533
  304    HB2  ARG  36          1HB       ARG  36  -3.265  -3.231   2.147
  305    HB3  ARG  36          2HB       ARG  36  -3.103  -2.204   0.737
  306    HG2  ARG  36          1HG       ARG  36  -0.832  -3.764   0.510
  307    HG3  ARG  36          2HG       ARG  36  -1.937  -4.896   1.264
  308    HD2  ARG  36          1HD       ARG  36  -3.597  -3.835  -0.645
  309    HD3  ARG  36          2HD       ARG  36  -2.055  -3.655  -1.461
  310    HE   ARG  36           HE       ARG  36  -2.173  -6.287  -0.349
  311   HH11  ARG  36          1HH1      ARG  36  -3.439  -7.873  -3.188
  312   HH12  ARG  36          2HH1      ARG  36  -2.641  -8.095  -1.667
  313   HH21  ARG  36          1HH2      ARG  36  -4.035  -5.741  -3.886
  314   HH22  ARG  36          2HH2      ARG  36  -3.680  -4.371  -2.887
  315    H    GLY  37           H        GLY  37  -0.701   0.381   1.497
  316    HA2  GLY  37          1HA       GLY  37  -3.082   1.765   2.364
  317    HA3  GLY  37          2HA       GLY  37  -1.688   2.036   3.393
  318    H    CYS  38           H        CYS  38  -2.048   4.339   2.571
  319    HA   CYS  38           HA       CYS  38  -0.742   4.646  -0.034
  320    HB2  CYS  38          1HB       CYS  38  -2.820   6.400   1.310
  321    HB3  CYS  38          2HB       CYS  38  -1.885   6.907  -0.083
  322    H    ILE  39           H        ILE  39   0.573   6.784  -0.133
  323    HA   ILE  39           HA       ILE  39   1.443   7.812   2.401
  324    HB   ILE  39           HB       ILE  39   2.702   5.681   2.164
  325   HG12  ILE  39          1HG1      ILE  39   4.804   7.757   1.959
  326   HG13  ILE  39          2HG1      ILE  39   3.524   8.102   3.105
  327   HG21  ILE  39          1HG2      ILE  39   2.856   6.021  -0.418
  328   HG22  ILE  39          2HG2      ILE  39   4.321   6.950  -0.022
  329   HG23  ILE  39          3HG2      ILE  39   4.194   5.241   0.460
  330   HD11  ILE  39          1HD1      ILE  39   3.855   5.771   4.074
  331   HD12  ILE  39          2HD1      ILE  39   5.280   5.611   3.019
  332   HD13  ILE  39          3HD1      ILE  39   5.245   6.865   4.283
  333    H    ASP  40           H        ASP  40   3.031   9.639   2.067
  334    HA   ASP  40           HA       ASP  40   2.169  11.067  -0.249
  335    HB2  ASP  40          1HB       ASP  40   2.320  12.220   1.919
  336    HB3  ASP  40          2HB       ASP  40   4.007  11.777   2.082
  337    H    VAL  41           H        VAL  41   5.177   9.671   1.184
  338    HA   VAL  41           HA       VAL  41   6.477  10.048  -1.423
  339    HB   VAL  41           HB       VAL  41   7.606  10.434   1.352
  340   HG11  VAL  41          1HG1      VAL  41   9.492  11.025  -0.751
  341   HG12  VAL  41          2HG1      VAL  41   9.656   9.923   0.637
  342   HG13  VAL  41          3HG1      VAL  41   8.942   9.337  -0.886
  343   HG21  VAL  41          1HG2      VAL  41   7.926  12.682   0.780
  344   HG22  VAL  41          2HG2      VAL  41   7.759  12.364  -0.964
  345   HG23  VAL  41          3HG2      VAL  41   6.329  12.302   0.094
  346    H    CYS  42           H        CYS  42   7.545   8.255  -2.245
  347    HA   CYS  42           HA       CYS  42   6.782   5.771  -1.228
  348    HB2  CYS  42          1HB       CYS  42   7.301   6.225  -3.616
  349    HB3  CYS  42          2HB       CYS  42   8.996   6.398  -3.208
  350    H    PRO  43           H        PRO  43   7.146   4.691   0.803
  351    HA   PRO  43           HA       PRO  43  10.142   5.279   1.745
  352   1HB   PRO  43          1HB       PRO  43   8.711   2.711   2.179
  353   2HB   PRO  43          2HB       PRO  43   9.208   3.888   3.342
  354   1HG   PRO  43          1HG       PRO  43   6.594   3.694   2.670
  355   2HG   PRO  43          2HG       PRO  43   7.295   5.266   2.885
  356   1HD   PRO  43          1HD       PRO  43   6.868   3.832   0.245
  357   2HD   PRO  43          2HD       PRO  43   6.389   5.446   0.680
  358    H    LYS  44           H        LYS  44  12.077   4.112   1.934
  359    HA   LYS  44           HA       LYS  44  12.859   2.795  -0.476
  360    HB2  LYS  44          1HB       LYS  44  14.260   3.477   2.113
  361    HB3  LYS  44          2HB       LYS  44  15.038   2.538   0.854
  362    HG2  LYS  44          1HG       LYS  44  15.614   4.518  -0.101
  363    HG3  LYS  44          2HG       LYS  44  13.934   4.677  -0.572
  364    HD2  LYS  44          1HD       LYS  44  13.451   5.824   1.620
  365    HD3  LYS  44          2HD       LYS  44  15.150   5.709   2.034
  366    HE2  LYS  44          1HE       LYS  44  15.778   7.123   0.129
  367    HE3  LYS  44          2HE       LYS  44  14.137   7.106  -0.485
  368    HZ1  LYS  44          1HZ       LYS  44  14.866   8.184   2.146
  369    HZ2  LYS  44          2HZ       LYS  44  14.716   9.096   0.799
  370    HZ3  LYS  44          3HZ       LYS  44  13.417   8.311   1.404
  371    H    ASN  45           H        ASN  45  13.832   0.604  -0.538
  372    HA   ASN  45           HA       ASN  45  12.117  -1.171   0.900
  373    HB2  ASN  45          1HB       ASN  45  14.317  -1.611  -1.185
  374    HB3  ASN  45          2HB       ASN  45  13.400  -2.931  -0.484
  375   HD21  ASN  45          1HD2      ASN  45  13.278  -2.731  -3.096
  376   HD22  ASN  45          2HD2      ASN  45  11.769  -2.102  -3.667
  377    H    SER  46           H        SER  46  13.189  -3.223   1.931
  378    HA   SER  46           HA       SER  46  15.831  -2.631   2.962
  379    HB2  SER  46          1HB       SER  46  15.067  -3.334   5.267
  380    HB3  SER  46          2HB       SER  46  14.414  -1.800   4.728
  381    HG   SER  46           HG       SER  46  12.868  -3.401   5.732
  382    H    LEU  47           H        LEU  47  16.588  -4.709   4.327
  383    HA   LEU  47           HA       LEU  47  16.123  -6.948   2.558
  384    HB2  LEU  47          1HB       LEU  47  18.015  -6.583   4.884
  385    HB3  LEU  47          2HB       LEU  47  17.968  -7.977   3.825
  386    HG   LEU  47           HG       LEU  47  19.080  -5.266   3.363
  387   HD11  LEU  47          1HD1      LEU  47  19.823  -7.998   2.281
  388   HD12  LEU  47          2HD1      LEU  47  20.786  -6.506   2.166
  389   HD13  LEU  47          3HD1      LEU  47  20.487  -7.252   3.754
  390   HD21  LEU  47          1HD2      LEU  47  17.973  -6.843   1.028
  391   HD22  LEU  47          2HD2      LEU  47  17.187  -5.409   1.731
  392   HD23  LEU  47          3HD2      LEU  47  18.799  -5.266   0.990
  393    H    LEU  48           H        LEU  48  14.205  -5.729   4.782
  394    HA   LEU  48           HA       LEU  48  13.596  -8.360   5.935
  395    HB2  LEU  48          1HB       LEU  48  13.228  -5.685   7.286
  396    HB3  LEU  48          2HB       LEU  48  12.837  -7.259   7.953
  397    HG   LEU  48           HG       LEU  48  15.643  -6.405   7.198
  398   HD11  LEU  48          1HD1      LEU  48  14.185  -5.294   9.232
  399   HD12  LEU  48          2HD1      LEU  48  15.001  -6.644  10.056
  400   HD13  LEU  48          3HD1      LEU  48  15.961  -5.424   9.184
  401   HD21  LEU  48          1HD2      LEU  48  16.358  -8.435   7.808
  402   HD22  LEU  48          2HD2      LEU  48  15.265  -8.506   9.211
  403   HD23  LEU  48          3HD2      LEU  48  14.663  -8.936   7.592
  404    H    VAL  49           H        VAL  49  12.338  -5.110   4.951
  405    HA   VAL  49           HA       VAL  49   9.890  -6.497   4.119
  406    HB   VAL  49           HB       VAL  49   8.523  -4.901   5.062
  407   HG11  VAL  49          1HG1      VAL  49  10.288  -6.217   6.712
  408   HG12  VAL  49          2HG1      VAL  49  10.434  -4.532   7.269
  409   HG13  VAL  49          3HG1      VAL  49   8.842  -5.328   7.248
  410   HG21  VAL  49          1HG2      VAL  49   9.721  -2.933   4.155
  411   HG22  VAL  49          2HG2      VAL  49   9.206  -2.696   5.843
  412   HG23  VAL  49          3HG2      VAL  49  10.908  -3.066   5.475
  413    H    LYS  50           H        LYS  50   8.831  -5.556   2.253
  414    HA   LYS  50           HA       LYS  50  10.695  -3.906   0.693
  415    HB2  LYS  50          1HB       LYS  50  10.178  -6.308  -0.045
  416    HB3  LYS  50          2HB       LYS  50   8.568  -5.736  -0.435
  417    HG2  LYS  50          1HG       LYS  50   9.281  -4.626  -2.302
  418    HG3  LYS  50          2HG       LYS  50  10.674  -3.947  -1.481
  419    HD2  LYS  50          1HD       LYS  50  10.949  -6.855  -1.856
  420    HD3  LYS  50          2HD       LYS  50  10.698  -6.030  -3.381
  421    HE2  LYS  50          1HE       LYS  50  12.567  -4.475  -1.807
  422    HE3  LYS  50          2HE       LYS  50  13.102  -6.144  -1.803
  423    HZ1  LYS  50          1HZ       LYS  50  12.371  -4.673  -4.239
  424    HZ2  LYS  50          2HZ       LYS  50  13.902  -4.851  -3.701
  425    HZ3  LYS  50          3HZ       LYS  50  13.042  -6.160  -4.164
  426    H    TYR  51           H        TYR  51   9.568  -2.450  -0.951
  427    HA   TYR  51           HA       TYR  51   6.958  -1.558   0.037
  428    HB2  TYR  51          1HB       TYR  51   9.621  -0.082  -0.311
  429    HB3  TYR  51          2HB       TYR  51   8.121   0.813  -0.449
  430    HD1  TYR  51          1HD       TYR  51  10.381  -0.952   1.842
  431    HD2  TYR  51          2HD       TYR  51   6.689   1.184   1.512
  432    HE1  TYR  51          1HE       TYR  51  10.304  -0.679   4.368
  433    HE2  TYR  51          2HE       TYR  51   6.625   1.451   4.039
  434    HH   TYR  51           HH       TYR  51   9.275   0.955   5.970
  435    H    VAL  52           H        VAL  52   5.537  -1.297  -1.613
  436    HA   VAL  52           HA       VAL  52   6.692  -0.809  -4.272
  437    HB   VAL  52           HB       VAL  52   4.620  -2.753  -3.328
  438   HG11  VAL  52          1HG1      VAL  52   3.800  -3.002  -5.655
  439   HG12  VAL  52          2HG1      VAL  52   3.402  -1.415  -4.955
  440   HG13  VAL  52          3HG1      VAL  52   4.739  -1.563  -6.121
  441   HG21  VAL  52          1HG2      VAL  52   7.233  -2.830  -4.588
  442   HG22  VAL  52          2HG2      VAL  52   6.288  -4.144  -3.848
  443   HG23  VAL  52          3HG2      VAL  52   6.034  -3.717  -5.557
  444    H    CYS  53           H        CYS  53   6.337   1.354  -4.571
  445    HA   CYS  53           HA       CYS  53   3.754   2.397  -3.719
  446    HB2  CYS  53          1HB       CYS  53   6.038   4.058  -4.788
  447    HB3  CYS  53          2HB       CYS  53   4.705   4.555  -3.766
  448    H    CYS  54           H        CYS  54   2.342   3.428  -5.257
  449    HA   CYS  54           HA       CYS  54   3.168   3.322  -8.035
  450    HB2  CYS  54          1HB       CYS  54   0.890   2.278  -8.599
  451    HB3  CYS  54          2HB       CYS  54   2.149   1.216  -8.000
  452    H    ASN  55           H        ASN  55   2.108   4.954  -9.283
  453    HA   ASN  55           HA       ASN  55   0.740   6.886  -7.638
  454    HB2  ASN  55          1HB       ASN  55   1.141   8.441  -9.504
  455    HB3  ASN  55          2HB       ASN  55   2.628   7.579  -9.170
  456   HD21  ASN  55          1HD2      ASN  55   3.662   7.159 -10.954
  457   HD22  ASN  55          2HD2      ASN  55   2.999   6.580 -12.447
  458    H    THR  56           H        THR  56  -0.312   4.182  -8.931
  459    HA   THR  56           HA       THR  56  -2.442   5.270 -10.614
  460    HB   THR  56           HB       THR  56  -2.745   2.534 -10.585
  461    HG1  THR  56          1HG       THR  56  -0.415   1.830 -10.536
  462   HG21  THR  56          1HG2      THR  56  -2.287   3.946 -12.634
  463   HG22  THR  56          2HG2      THR  56  -0.571   4.008 -12.165
  464   HG23  THR  56          3HG2      THR  56  -1.320   2.453 -12.605
  465    H    ASP  57           H        ASP  57  -4.668   4.183 -10.274
  466    HA   ASP  57           HA       ASP  57  -5.278   4.666  -7.501
  467    HB2  ASP  57          1HB       ASP  57  -6.793   4.586 -10.094
  468    HB3  ASP  57          2HB       ASP  57  -7.698   4.171  -8.651
  469    H    ARG  58           H        ARG  58  -6.004   3.006  -6.097
  470    HA   ARG  58           HA       ARG  58  -6.285   1.000  -5.339
  471    HB2  ARG  58          1HB       ARG  58  -7.769   0.710  -7.989
  472    HB3  ARG  58          2HB       ARG  58  -7.766  -0.572  -6.795
  473    HG2  ARG  58          1HG       ARG  58  -9.002   0.681  -5.232
  474    HG3  ARG  58          2HG       ARG  58  -8.485   2.220  -5.891
  475    HD2  ARG  58          1HD       ARG  58 -10.593   2.220  -6.823
  476    HD3  ARG  58          2HD       ARG  58  -9.819   1.257  -8.066
  477    HE   ARG  58           HE       ARG  58 -10.828  -0.317  -5.797
  478   HH11  ARG  58          1HH1      ARG  58 -13.416  -1.685  -7.696
  479   HH12  ARG  58          2HH1      ARG  58 -12.530  -1.784  -6.212
  480   HH21  ARG  58          1HH2      ARG  58 -12.875  -0.062  -9.265
  481   HH22  ARG  58          2HH2      ARG  58 -11.585   1.049  -8.951
  482    H    CYS  59           H        CYS  59  -3.928   1.602  -7.248
  483    HA   CYS  59           HA       CYS  59  -3.358  -0.673  -8.737
  484    HB2  CYS  59          1HB       CYS  59  -0.945   0.150  -8.503
  485    HB3  CYS  59          2HB       CYS  59  -2.098   1.240  -9.249
  486    H    ASN  60           H        ASN  60  -2.703   0.281  -5.316
  487    HA   ASN  60           HA       ASN  60  -1.249  -2.108  -4.823
  488    HB2  ASN  60          1HB       ASN  60  -1.002  -1.256  -2.578
  489    HB3  ASN  60          2HB       ASN  60  -0.945   0.153  -3.617
  490   HD21  ASN  60          1HD2      ASN  60  -1.899  -0.581  -0.768
  491   HD22  ASN  60          2HD2      ASN  60  -3.425   0.221  -0.605
  492    H1   HOH 101          1H        HOH  61   4.918 -11.175   2.522
  493    H2   HOH 101          2H        HOH  61   3.867 -10.107   2.730
  Start of MODEL    4
    1    H1   LEU   1           H        LEU   1  -5.257  10.263  -4.702
    2    HA   LEU   1           HA       LEU   1  -6.998   8.529  -6.065
    3    HB2  LEU   1          1HB       LEU   1  -4.151   8.791  -5.521
    4    HB3  LEU   1          2HB       LEU   1  -4.668   7.116  -5.515
    5    HG   LEU   1           HG       LEU   1  -5.613   7.375  -7.768
    6   HD11  LEU   1          1HD1      LEU   1  -4.646   9.635  -8.892
    7   HD12  LEU   1          2HD1      LEU   1  -6.296   9.468  -8.246
    8   HD13  LEU   1          3HD1      LEU   1  -5.027  10.229  -7.257
    9   HD21  LEU   1          1HD2      LEU   1  -3.633   6.686  -8.483
   10   HD22  LEU   1          2HD2      LEU   1  -3.052   8.367  -8.533
   11   HD23  LEU   1          3HD2      LEU   1  -2.859   7.402  -7.049
   12    H    LYS   2           H        LYS   2  -7.101   6.090  -5.526
   13    HA   LYS   2           HA       LYS   2  -7.625   5.852  -2.644
   14    HB2  LYS   2          1HB       LYS   2  -9.098   4.652  -5.005
   15    HB3  LYS   2          2HB       LYS   2  -9.344   4.142  -3.349
   16    HG2  LYS   2          1HG       LYS   2 -10.634   5.956  -2.883
   17    HG3  LYS   2          2HG       LYS   2  -9.440   7.060  -3.537
   18    HD2  LYS   2          1HD       LYS   2 -10.364   6.026  -5.874
   19    HD3  LYS   2          2HD       LYS   2 -11.797   5.785  -4.895
   20    HE2  LYS   2          1HE       LYS   2 -10.349   8.467  -5.028
   21    HE3  LYS   2          2HE       LYS   2 -11.627   8.037  -6.146
   22    HZ1  LYS   2          1HZ       LYS   2 -11.831   8.839  -3.449
   23    HZ2  LYS   2          2HZ       LYS   2 -12.995   8.755  -4.591
   24    HZ3  LYS   2          3HZ       LYS   2 -12.629   7.436  -3.699
   25    H    CYS   3           H        CYS   3  -7.082   3.837  -1.621
   26    HA   CYS   3           HA       CYS   3  -5.367   2.122  -3.247
   27    HB2  CYS   3          1HB       CYS   3  -4.589   2.849  -0.422
   28    HB3  CYS   3          2HB       CYS   3  -3.618   2.090  -1.668
   29    H    ASN   4           H        ASN   4  -5.396  -0.115  -2.542
   30    HA   ASN   4           HA       ASN   4  -7.787  -0.732  -1.102
   31    HB2  ASN   4          1HB       ASN   4  -5.732  -2.753  -2.091
   32    HB3  ASN   4          2HB       ASN   4  -7.459  -2.982  -1.897
   33   HD21  ASN   4          1HD2      ASN   4  -6.007  -3.565  -4.220
   34   HD22  ASN   4          2HD2      ASN   4  -6.546  -2.548  -5.514
   35    H    LYS   5           H        LYS   5  -7.693  -2.427   0.714
   36    HA   LYS   5           HA       LYS   5  -5.422  -1.832   2.431
   37    HB2  LYS   5          1HB       LYS   5  -8.093  -3.149   3.007
   38    HB3  LYS   5          2HB       LYS   5  -6.852  -2.831   4.201
   39    HG2  LYS   5          1HG       LYS   5  -8.437  -0.799   2.580
   40    HG3  LYS   5          2HG       LYS   5  -8.412  -0.992   4.321
   41    HD2  LYS   5          1HD       LYS   5  -6.137   0.019   2.555
   42    HD3  LYS   5          2HD       LYS   5  -7.038   0.941   3.743
   43    HE2  LYS   5          1HE       LYS   5  -6.130  -1.123   5.319
   44    HE3  LYS   5          2HE       LYS   5  -4.829  -1.034   4.148
   45    HZ1  LYS   5          1HZ       LYS   5  -5.002   0.527   6.265
   46    HZ2  LYS   5          2HZ       LYS   5  -4.212   0.959   4.902
   47    HZ3  LYS   5          3HZ       LYS   5  -5.732   1.494   5.170
   48    H    LEU   6           H        LEU   6  -5.097  -3.985   4.014
   49    HA   LEU   6           HA       LEU   6  -3.463  -5.642   2.641
   50    HB2  LEU   6          1HB       LEU   6  -3.849  -5.349   5.150
   51    HB3  LEU   6          2HB       LEU   6  -5.106  -6.559   4.992
   52    HG   LEU   6           HG       LEU   6  -3.580  -8.265   4.444
   53   HD11  LEU   6          1HD1      LEU   6  -1.582  -6.065   3.893
   54   HD12  LEU   6          2HD1      LEU   6  -1.128  -7.778   4.059
   55   HD13  LEU   6          3HD1      LEU   6  -2.239  -7.274   2.764
   56   HD21  LEU   6          1HD2      LEU   6  -2.556  -6.455   6.619
   57   HD22  LEU   6          2HD2      LEU   6  -3.451  -7.988   6.750
   58   HD23  LEU   6          3HD2      LEU   6  -1.745  -7.993   6.242
   59    H    VAL   7           H        VAL   7  -6.992  -6.117   3.281
   60    HA   VAL   7           HA       VAL   7  -6.919  -8.392   1.448
   61    HB   VAL   7           HB       VAL   7  -8.716  -7.464   3.649
   62   HG11  VAL   7          1HG1      VAL   7 -10.435  -9.117   2.921
   63   HG12  VAL   7          2HG1      VAL   7 -10.283  -7.724   1.824
   64   HG13  VAL   7          3HG1      VAL   7  -9.566  -9.292   1.379
   65   HG21  VAL   7          1HG2      VAL   7  -7.024  -9.068   4.235
   66   HG22  VAL   7          2HG2      VAL   7  -8.594  -9.904   4.226
   67   HG23  VAL   7          3HG2      VAL   7  -7.466 -10.116   2.867
   68    H    PRO   8           H        PRO   8  -6.794  -8.104  -0.813
   69    HA   PRO   8           HA       PRO   8  -7.746  -5.246  -1.506
   70   1HB   PRO   8          1HB       PRO   8  -8.201  -7.645  -3.249
   71   2HB   PRO   8          2HB       PRO   8  -7.250  -6.242  -3.575
   72   1HG   PRO   8          1HG       PRO   8  -6.001  -8.500  -2.830
   73   2HG   PRO   8          2HG       PRO   8  -5.487  -7.005  -2.111
   74   1HD   PRO   8          1HD       PRO   8  -7.321  -9.072  -0.876
   75   2HD   PRO   8          2HD       PRO   8  -5.965  -8.260  -0.154
   76    H    ILE   9           H        ILE   9 -10.229  -7.191  -0.263
   77    HA   ILE   9           HA       ILE   9 -12.217  -6.205  -2.139
   78    HB   ILE   9           HB       ILE   9 -13.727  -7.688  -1.069
   79   HG12  ILE   9          1HG1      ILE   9 -11.824  -8.733   0.950
   80   HG13  ILE   9          2HG1      ILE   9 -12.461  -7.132   1.268
   81   HG21  ILE   9          1HG2      ILE   9 -12.258  -9.863  -1.080
   82   HG22  ILE   9          2HG2      ILE   9 -12.542  -8.948  -2.579
   83   HG23  ILE   9          3HG2      ILE   9 -11.005  -8.764  -1.702
   84   HD11  ILE   9          1HD1      ILE   9 -13.770  -9.647   1.647
   85   HD12  ILE   9          2HD1      ILE   9 -14.436  -8.019   1.925
   86   HD13  ILE   9          3HD1      ILE   9 -14.632  -8.802   0.338
   87    H    ALA  10           H        ALA  10 -10.497  -4.644   0.017
   88    HA   ALA  10           HA       ALA  10 -12.693  -2.926   0.741
   89    HB1  ALA  10          1HB       ALA  10 -12.017  -2.959   3.175
   90    HB2  ALA  10          2HB       ALA  10 -12.793  -4.457   2.609
   91    HB3  ALA  10          3HB       ALA  10 -11.028  -4.395   2.821
   92    H    TYR  11           H        TYR  11 -11.967  -0.956   0.134
   93    HA   TYR  11           HA       TYR  11  -9.132  -0.371   0.654
   94    HB2  TYR  11          1HB       TYR  11  -9.086   0.678  -1.553
   95    HB3  TYR  11          2HB       TYR  11  -9.895  -0.858  -1.800
   96    HD1  TYR  11          1HD       TYR  11 -12.507  -0.836  -1.709
   97    HD2  TYR  11          2HD       TYR  11 -10.110   2.668  -2.248
   98    HE1  TYR  11          1HE       TYR  11 -14.501   0.384  -2.708
   99    HE2  TYR  11          2HE       TYR  11 -12.113   3.876  -3.245
  100    HH   TYR  11           HH       TYR  11 -14.135   3.543  -4.167
  101    H    LYS  12           H        LYS  12  -8.693   2.047   0.708
  102    HA   LYS  12           HA       LYS  12 -11.058   3.545   1.554
  103    HB2  LYS  12          1HB       LYS  12  -8.497   3.232   3.146
  104    HB3  LYS  12          2HB       LYS  12  -9.703   4.463   3.464
  105    HG2  LYS  12          1HG       LYS  12 -11.099   1.960   3.230
  106    HG3  LYS  12          2HG       LYS  12  -9.713   1.679   4.265
  107    HD2  LYS  12          1HD       LYS  12 -10.804   2.686   5.977
  108    HD3  LYS  12          2HD       LYS  12 -10.801   4.192   5.079
  109    HE2  LYS  12          1HE       LYS  12 -12.881   3.173   3.815
  110    HE3  LYS  12          2HE       LYS  12 -12.957   2.054   5.163
  111    HZ1  LYS  12          1HZ       LYS  12 -12.836   4.957   5.558
  112    HZ2  LYS  12          2HZ       LYS  12 -14.249   4.155   5.394
  113    HZ3  LYS  12          3HZ       LYS  12 -13.258   3.815   6.647
  114    H    THR  13           H        THR  13  -9.917   5.967   2.141
  115    HA   THR  13           HA       THR  13  -8.827   6.694  -0.472
  116    HB   THR  13           HB       THR  13  -9.947   8.702  -0.130
  117    HG1  THR  13          1HG       THR  13  -8.873   9.588   1.625
  118   HG21  THR  13          1HG2      THR  13 -11.317   7.511   2.282
  119   HG22  THR  13          2HG2      THR  13 -12.029   8.358   0.887
  120   HG23  THR  13          3HG2      THR  13 -11.506   6.665   0.728
  121    H    CYS  14           H        CYS  14  -6.855   7.652  -0.808
  122    HA   CYS  14           HA       CYS  14  -4.870   7.053   1.065
  123    HB2  CYS  14          1HB       CYS  14  -4.720   8.933  -1.315
  124    HB3  CYS  14          2HB       CYS  14  -3.356   8.254  -0.452
  125    H    PRO  15           H        PRO  15  -4.590   7.699   3.276
  126    HA   PRO  15           HA       PRO  15  -6.362  10.263   3.656
  127   1HB   PRO  15          1HB       PRO  15  -4.480   9.995   5.686
  128   2HB   PRO  15          2HB       PRO  15  -5.896   9.019   5.515
  129   1HG   PRO  15          1HG       PRO  15  -3.036   8.425   4.645
  130   2HG   PRO  15          2HG       PRO  15  -4.199   7.367   5.380
  131   1HD   PRO  15          1HD       PRO  15  -3.788   7.243   2.706
  132   2HD   PRO  15          2HD       PRO  15  -5.360   6.945   3.388
  133    H    GLU  16           H        GLU  16  -5.273  12.027   5.371
  134    HA   GLU  16           HA       GLU  16  -4.527  14.086   3.722
  135    HB2  GLU  16          1HB       GLU  16  -4.108  13.739   6.721
  136    HB3  GLU  16          2HB       GLU  16  -3.909  15.262   5.876
  137    HG2  GLU  16          1HG       GLU  16  -6.470  14.005   5.184
  138    HG3  GLU  16          2HG       GLU  16  -6.318  14.203   6.919
  139    H    GLY  17           H        GLY  17  -2.621  14.657   2.755
  140    HA2  GLY  17          1HA       GLY  17  -0.344  15.011   2.660
  141    HA3  GLY  17          2HA       GLY  17  -0.098  13.941   4.025
  142    H    LYS  18           H        LYS  18  -1.781  11.732   2.961
  143    HA   LYS  18           HA       LYS  18   0.205  10.676   1.124
  144    HB2  LYS  18          1HB       LYS  18  -2.096   9.075   2.185
  145    HB3  LYS  18          2HB       LYS  18  -0.462   8.570   1.806
  146    HG2  LYS  18          1HG       LYS  18  -1.324  10.286   4.180
  147    HG3  LYS  18          2HG       LYS  18  -0.760   8.629   4.246
  148    HD2  LYS  18          1HD       LYS  18   1.473   9.214   3.836
  149    HD3  LYS  18          2HD       LYS  18   1.045  10.662   2.946
  150    HE2  LYS  18          1HE       LYS  18   1.539  11.810   4.851
  151    HE3  LYS  18          2HE       LYS  18   0.017  11.210   5.479
  152    HZ1  LYS  18          1HZ       LYS  18   1.782   9.170   5.825
  153    HZ2  LYS  18          2HZ       LYS  18   2.634  10.502   6.229
  154    HZ3  LYS  18          3HZ       LYS  18   1.224  10.176   6.984
  155    H    ASN  19           H        ASN  19  -0.261   9.918  -0.972
  156    HA   ASN  19           HA       ASN  19  -2.960  10.395  -1.895
  157    HB2  ASN  19          1HB       ASN  19  -1.862  12.473  -2.519
  158    HB3  ASN  19          2HB       ASN  19  -0.423  11.634  -3.060
  159   HD21  ASN  19          1HD2      ASN  19  -0.350  12.228  -5.131
  160   HD22  ASN  19          2HD2      ASN  19  -1.552  11.878  -6.329
  161    H    LEU  20           H        LEU  20   0.418   9.255  -2.513
  162    HA   LEU  20           HA       LEU  20  -0.402   7.534  -4.656
  163    HB2  LEU  20          1HB       LEU  20   2.187   8.035  -3.204
  164    HB3  LEU  20          2HB       LEU  20   2.019   6.742  -4.374
  165    HG   LEU  20           HG       LEU  20   1.040   9.246  -5.471
  166   HD11  LEU  20          1HD1      LEU  20   3.084  10.511  -5.544
  167   HD12  LEU  20          2HD1      LEU  20   2.662  10.200  -3.843
  168   HD13  LEU  20          3HD1      LEU  20   3.949   9.254  -4.628
  169   HD21  LEU  20          1HD2      LEU  20   2.189   6.898  -6.373
  170   HD22  LEU  20          2HD2      LEU  20   1.846   8.349  -7.346
  171   HD23  LEU  20          3HD2      LEU  20   3.464   8.113  -6.642
  172    H    CYS  21           H        CYS  21  -0.127   5.161  -4.608
  173    HA   CYS  21           HA       CYS  21  -0.927   4.166  -1.985
  174    HB2  CYS  21          1HB       CYS  21  -1.242   2.846  -4.700
  175    HB3  CYS  21          2HB       CYS  21  -1.869   2.249  -3.176
  176    H    TYR  22           H        TYR  22   0.286   2.513  -0.968
  177    HA   TYR  22           HA       TYR  22   2.663   1.594  -2.429
  178    HB2  TYR  22          1HB       TYR  22   3.972   2.125  -0.453
  179    HB3  TYR  22          2HB       TYR  22   2.929   3.520  -0.652
  180    HD1  TYR  22          1HD       TYR  22   3.024   0.214   1.118
  181    HD2  TYR  22          2HD       TYR  22   1.686   4.277   1.168
  182    HE1  TYR  22          1HE       TYR  22   2.142  -0.097   3.483
  183    HE2  TYR  22          2HE       TYR  22   0.809   3.953   3.532
  184    HH   TYR  22           HH       TYR  22   0.994   0.776   5.102
  185    H    LYS  23           H        LYS  23   3.493  -0.487  -1.744
  186    HA   LYS  23           HA       LYS  23   1.688  -1.974   0.012
  187    HB2  LYS  23          1HB       LYS  23   1.742  -2.238  -2.811
  188    HB3  LYS  23          2HB       LYS  23   2.550  -3.653  -2.167
  189    HG2  LYS  23          1HG       LYS  23   0.645  -4.211  -0.760
  190    HG3  LYS  23          2HG       LYS  23  -0.124  -2.668  -1.082
  191    HD2  LYS  23          1HD       LYS  23  -1.006  -4.710  -2.402
  192    HD3  LYS  23          2HD       LYS  23  -0.668  -3.259  -3.325
  193    HE2  LYS  23          1HE       LYS  23   1.617  -5.178  -3.001
  194    HE3  LYS  23          2HE       LYS  23   0.290  -5.724  -4.007
  195    HZ1  LYS  23          1HZ       LYS  23   0.510  -3.475  -5.109
  196    HZ2  LYS  23          2HZ       LYS  23   1.963  -3.358  -4.374
  197    HZ3  LYS  23          3HZ       LYS  23   1.676  -4.574  -5.424
  198    H    MET  24           H        MET  24   2.887  -2.731   1.663
  199    HA   MET  24           HA       MET  24   5.712  -3.146   1.133
  200    HB2  MET  24          1HB       MET  24   4.006  -2.626   3.597
  201    HB3  MET  24          2HB       MET  24   5.576  -3.376   3.807
  202    HG2  MET  24          1HG       MET  24   6.671  -1.407   3.451
  203    HG3  MET  24          2HG       MET  24   5.757  -1.075   1.993
  204    HE1  MET  24          1HE       MET  24   4.745   0.122   6.287
  205    HE2  MET  24          2HE       MET  24   4.302  -1.535   5.811
  206    HE3  MET  24          3HE       MET  24   6.000  -1.005   5.721
  207    H    PHE  25           H        PHE  25   6.792  -5.118   1.759
  208    HA   PHE  25           HA       PHE  25   4.948  -7.334   2.302
  209    HB2  PHE  25          1HB       PHE  25   7.370  -7.084   0.424
  210    HB3  PHE  25          2HB       PHE  25   6.647  -8.631   0.818
  211    HD1  PHE  25          1HD       PHE  25   5.044  -9.480  -0.607
  212    HD2  PHE  25          2HD       PHE  25   5.646  -5.281  -0.496
  213    HE1  PHE  25          1HE       PHE  25   3.406  -9.196  -2.486
  214    HE2  PHE  25          2HE       PHE  25   4.008  -4.996  -2.376
  215    HZ   PHE  25           HZ       PHE  25   2.907  -6.957  -3.348
  216    H    MET  26           H        MET  26   6.689  -9.406   2.667
  217    HA   MET  26           HA       MET  26   8.764  -8.461   4.438
  218    HB2  MET  26          1HB       MET  26   6.431 -10.276   5.251
  219    HB3  MET  26          2HB       MET  26   7.899 -10.154   6.199
  220    HG2  MET  26          1HG       MET  26   7.525  -7.800   6.652
  221    HG3  MET  26          2HG       MET  26   6.260  -7.696   5.446
  222    HE1  MET  26          1HE       MET  26   6.444  -7.024   8.690
  223    HE2  MET  26          2HE       MET  26   5.038  -6.489   7.739
  224    HE3  MET  26          3HE       MET  26   4.798  -7.428   9.232
  225    H    MET  27           H        MET  27  10.079 -10.455   5.303
  226    HA   MET  27           HA       MET  27  10.994 -11.838   3.116
  227    HB2  MET  27          1HB       MET  27  11.262 -12.064   6.126
  228    HB3  MET  27          2HB       MET  27  11.884 -13.392   5.166
  229    HG2  MET  27          1HG       MET  27  12.673 -10.731   4.117
  230    HG3  MET  27          2HG       MET  27  13.258 -11.031   5.741
  231    HE1  MET  27          1HE       MET  27  16.328 -11.871   4.892
  232    HE2  MET  27          2HE       MET  27  15.096 -11.634   6.156
  233    HE3  MET  27          3HE       MET  27  15.743 -13.261   5.837
  234    H    SER  28           H        SER  28   8.108 -12.335   4.894
  235    HA   SER  28           HA       SER  28   7.984 -15.104   4.904
  236    HB2  SER  28          1HB       SER  28   6.451 -13.785   6.243
  237    HB3  SER  28          2HB       SER  28   5.825 -12.958   4.830
  238    HG   SER  28           HG       SER  28   5.581 -15.704   4.558
  239    H    ASP  29           H        ASP  29   6.679 -12.645   2.565
  240    HA   ASP  29           HA       ASP  29   7.196 -14.392   0.412
  241    HB2  ASP  29          1HB       ASP  29   4.726 -14.351  -0.360
  242    HB3  ASP  29          2HB       ASP  29   5.150 -15.491   0.901
  243    H    LEU  30           H        LEU  30   8.154 -12.713  -0.782
  244    HA   LEU  30           HA       LEU  30   7.159 -10.052  -0.645
  245    HB2  LEU  30          1HB       LEU  30   9.218 -11.370  -2.416
  246    HB3  LEU  30          2HB       LEU  30   8.876  -9.653  -2.409
  247    HG   LEU  30           HG       LEU  30   9.733 -11.116   0.091
  248   HD11  LEU  30          1HD1      LEU  30  11.515  -9.816  -1.986
  249   HD12  LEU  30          2HD1      LEU  30  12.033 -10.351  -0.370
  250   HD13  LEU  30          3HD1      LEU  30  11.454 -11.543  -1.558
  251   HD21  LEU  30          1HD2      LEU  30   8.743  -8.572  -0.276
  252   HD22  LEU  30          2HD2      LEU  30   9.724  -9.125   1.102
  253   HD23  LEU  30          3HD2      LEU  30  10.504  -8.316  -0.279
  254    H    THR  31           H        THR  31   6.253 -12.895  -2.375
  255    HA   THR  31           HA       THR  31   5.326 -11.578  -4.739
  256    HB   THR  31           HB       THR  31   6.023 -13.963  -4.699
  257    HG1  THR  31          1HG       THR  31   3.114 -13.646  -4.901
  258   HG21  THR  31          1HG2      THR  31   5.038 -14.344  -2.291
  259   HG22  THR  31          2HG2      THR  31   3.478 -14.541  -3.126
  260   HG23  THR  31          3HG2      THR  31   4.827 -15.644  -3.489
  261    H    ILE  32           H        ILE  32   4.166 -11.877  -1.479
  262    HA   ILE  32           HA       ILE  32   1.663 -10.662  -2.372
  263    HB   ILE  32           HB       ILE  32   2.001 -13.203  -0.873
  264   HG12  ILE  32          1HG1      ILE  32  -0.457 -12.447  -2.380
  265   HG13  ILE  32          2HG1      ILE  32   1.019 -12.625  -3.307
  266   HG21  ILE  32          1HG2      ILE  32   0.978 -12.275   0.934
  267   HG22  ILE  32          2HG2      ILE  32   0.190 -10.994  -0.020
  268   HG23  ILE  32          3HG2      ILE  32  -0.466 -12.650  -0.036
  269   HD11  ILE  32          1HD1      ILE  32   0.497 -14.848  -3.322
  270   HD12  ILE  32          2HD1      ILE  32   1.147 -14.850  -1.664
  271   HD13  ILE  32          3HD1      ILE  32  -0.606 -14.690  -1.933
  272    H    PRO  33           H        PRO  33   1.095  -8.578  -1.711
  273    HA   PRO  33           HA       PRO  33   3.052  -7.826   0.693
  274   1HB   PRO  33          1HB       PRO  33   0.867  -6.152   0.571
  275   2HB   PRO  33          2HB       PRO  33   2.174  -6.116  -0.559
  276   1HG   PRO  33          1HG       PRO  33  -0.561  -7.433  -0.822
  277   2HG   PRO  33          2HG       PRO  33   0.346  -6.552  -2.008
  278   1HD   PRO  33          1HD       PRO  33   0.344  -9.296  -1.981
  279   2HD   PRO  33          2HD       PRO  33   1.672  -8.366  -2.609
  280    H    VAL  34           H        VAL  34   2.666  -6.951   2.824
  281    HA   VAL  34           HA       VAL  34   0.708  -8.569   4.300
  282    HB   VAL  34           HB       VAL  34   2.641  -7.456   6.037
  283   HG11  VAL  34          1HG1      VAL  34   2.832  -9.619   6.792
  284   HG12  VAL  34          2HG1      VAL  34   1.288  -9.732   5.915
  285   HG13  VAL  34          3HG1      VAL  34   2.787 -10.315   5.154
  286   HG21  VAL  34          1HG2      VAL  34   4.661  -8.737   4.986
  287   HG22  VAL  34          2HG2      VAL  34   3.796  -8.479   3.452
  288   HG23  VAL  34          3HG2      VAL  34   4.288  -7.084   4.442
  289    H    LYS  35           H        LYS  35   1.941  -5.349   3.496
  290    HA   LYS  35           HA       LYS  35  -0.244  -4.241   5.111
  291    HB2  LYS  35          1HB       LYS  35   2.422  -2.867   4.718
  292    HB3  LYS  35          2HB       LYS  35   1.114  -2.400   5.785
  293    HG2  LYS  35          1HG       LYS  35   2.359  -5.140   6.107
  294    HG3  LYS  35          2HG       LYS  35   3.215  -3.742   6.727
  295    HD2  LYS  35          1HD       LYS  35   0.318  -4.418   7.423
  296    HD3  LYS  35          2HD       LYS  35   1.692  -4.851   8.422
  297    HE2  LYS  35          1HE       LYS  35   2.288  -2.288   8.329
  298    HE3  LYS  35          2HE       LYS  35   0.637  -2.073   7.785
  299    HZ1  LYS  35          1HZ       LYS  35   0.412  -3.728   9.904
  300    HZ2  LYS  35          2HZ       LYS  35   1.591  -2.701  10.374
  301    HZ3  LYS  35          3HZ       LYS  35   0.135  -2.118   9.921
  302    H    ARG  36           H        ARG  36  -1.418  -2.537   4.153
  303    HA   ARG  36           HA       ARG  36  -0.551  -1.769   1.510
  304    HB2  ARG  36          1HB       ARG  36  -3.213  -3.089   2.189
  305    HB3  ARG  36          2HB       ARG  36  -3.054  -2.058   0.781
  306    HG2  ARG  36          1HG       ARG  36  -0.852  -3.666   0.448
  307    HG3  ARG  36          2HG       ARG  36  -1.920  -4.779   1.278
  308    HD2  ARG  36          1HD       ARG  36  -3.702  -3.798  -0.517
  309    HD3  ARG  36          2HD       ARG  36  -2.237  -3.504  -1.431
  310    HE   ARG  36           HE       ARG  36  -2.079  -6.157  -0.418
  311   HH11  ARG  36          1HH1      ARG  36  -3.573  -7.771  -3.126
  312   HH12  ARG  36          2HH1      ARG  36  -2.577  -7.966  -1.722
  313   HH21  ARG  36          1HH2      ARG  36  -4.400  -5.675  -3.682
  314   HH22  ARG  36          2HH2      ARG  36  -4.021  -4.304  -2.692
  315    H    GLY  37           H        GLY  37  -0.795   0.443   1.264
  316    HA2  GLY  37          1HA       GLY  37  -3.034   1.863   2.316
  317    HA3  GLY  37          2HA       GLY  37  -1.605   2.113   3.298
  318    H    CYS  38           H        CYS  38  -1.974   4.422   2.488
  319    HA   CYS  38           HA       CYS  38  -0.700   4.717  -0.136
  320    HB2  CYS  38          1HB       CYS  38  -2.789   6.483   1.175
  321    HB3  CYS  38          2HB       CYS  38  -1.886   6.935  -0.256
  322    H    ILE  39           H        ILE  39   0.698   6.729  -0.285
  323    HA   ILE  39           HA       ILE  39   1.502   7.869   2.242
  324    HB   ILE  39           HB       ILE  39   2.771   5.740   2.054
  325   HG12  ILE  39          1HG1      ILE  39   4.876   7.804   1.821
  326   HG13  ILE  39          2HG1      ILE  39   3.583   8.196   2.938
  327   HG21  ILE  39          1HG2      ILE  39   3.042   6.417  -0.614
  328   HG22  ILE  39          2HG2      ILE  39   4.657   6.732   0.060
  329   HG23  ILE  39          3HG2      ILE  39   3.915   5.126   0.243
  330   HD11  ILE  39          1HD1      ILE  39   5.193   5.601   2.950
  331   HD12  ILE  39          2HD1      ILE  39   5.398   6.958   4.082
  332   HD13  ILE  39          3HD1      ILE  39   3.890   6.013   4.091
  333    H    ASP  40           H        ASP  40   3.074   9.700   1.882
  334    HA   ASP  40           HA       ASP  40   2.214  11.087  -0.454
  335    HB2  ASP  40          1HB       ASP  40   3.251  13.016   0.547
  336    HB3  ASP  40          2HB       ASP  40   2.497  12.125   1.855
  337    H    VAL  41           H        VAL  41   5.259   9.766   0.994
  338    HA   VAL  41           HA       VAL  41   6.504  10.017  -1.653
  339    HB   VAL  41           HB       VAL  41   7.680  10.607   1.067
  340   HG11  VAL  41          1HG1      VAL  41   9.507  11.107  -1.108
  341   HG12  VAL  41          2HG1      VAL  41   9.725  10.097   0.341
  342   HG13  VAL  41          3HG1      VAL  41   8.995   9.402  -1.125
  343   HG21  VAL  41          1HG2      VAL  41   7.674  12.371  -1.391
  344   HG22  VAL  41          2HG2      VAL  41   6.341  12.377  -0.212
  345   HG23  VAL  41          3HG2      VAL  41   7.985  12.821   0.303
  346    H    CYS  42           H        CYS  42   7.654   8.213  -2.360
  347    HA   CYS  42           HA       CYS  42   6.943   5.774  -1.204
  348    HB2  CYS  42          1HB       CYS  42   7.565   6.248  -3.634
  349    HB3  CYS  42          2HB       CYS  42   9.243   6.205  -3.130
  350    H    PRO  43           H        PRO  43   7.281   4.875   0.891
  351    HA   PRO  43           HA       PRO  43  10.090   5.869   1.998
  352   1HB   PRO  43          1HB       PRO  43   8.850   3.233   2.621
  353   2HB   PRO  43          2HB       PRO  43   9.150   4.568   3.675
  354   1HG   PRO  43          1HG       PRO  43   6.630   4.093   2.835
  355   2HG   PRO  43          2HG       PRO  43   7.197   5.733   2.882
  356   1HD   PRO  43          1HD       PRO  43   7.092   3.934   0.440
  357   2HD   PRO  43          2HD       PRO  43   6.476   5.551   0.611
  358    H    LYS  44           H        LYS  44  11.617   4.060   3.062
  359    HA   LYS  44           HA       LYS  44  13.361   3.317   0.951
  360    HB2  LYS  44          1HB       LYS  44  13.379   3.027   3.950
  361    HB3  LYS  44          2HB       LYS  44  14.584   2.216   2.969
  362    HG2  LYS  44          1HG       LYS  44  15.505   4.243   2.169
  363    HG3  LYS  44          2HG       LYS  44  14.041   5.153   2.485
  364    HD2  LYS  44          1HD       LYS  44  15.002   4.035   4.986
  365    HD3  LYS  44          2HD       LYS  44  16.329   4.853   4.187
  366    HE2  LYS  44          1HE       LYS  44  14.531   6.781   3.795
  367    HE3  LYS  44          2HE       LYS  44  13.689   6.003   5.122
  368    HZ1  LYS  44          1HZ       LYS  44  16.183   7.434   5.142
  369    HZ2  LYS  44          2HZ       LYS  44  15.036   7.320   6.300
  370    HZ3  LYS  44          3HZ       LYS  44  16.123   6.117   6.106
  371    H    ASN  45           H        ASN  45  14.386   0.836   1.600
  372    HA   ASN  45           HA       ASN  45  12.179  -0.986   1.732
  373    HB2  ASN  45          1HB       ASN  45  13.989  -0.764  -0.729
  374    HB3  ASN  45          2HB       ASN  45  12.979  -2.161  -0.409
  375   HD21  ASN  45          1HD2      ASN  45  12.895   1.371  -0.729
  376   HD22  ASN  45          2HD2      ASN  45  11.319   1.498  -1.437
  377    H    SER  46           H        SER  46  12.906  -2.970   2.645
  378    HA   SER  46           HA       SER  46  15.804  -3.262   2.807
  379    HB2  SER  46          1HB       SER  46  15.474  -4.232   5.092
  380    HB3  SER  46          2HB       SER  46  15.010  -2.545   4.994
  381    HG   SER  46           HG       SER  46  12.768  -3.750   4.413
  382    H    LEU  47           H        LEU  47  16.238  -5.719   3.680
  383    HA   LEU  47           HA       LEU  47  15.027  -7.371   1.669
  384    HB2  LEU  47          1HB       LEU  47  17.055  -8.049   3.802
  385    HB3  LEU  47          2HB       LEU  47  16.622  -9.043   2.426
  386    HG   LEU  47           HG       LEU  47  17.414  -6.486   1.426
  387   HD11  LEU  47          1HD1      LEU  47  19.711  -7.619   2.969
  388   HD12  LEU  47          2HD1      LEU  47  19.427  -5.964   2.377
  389   HD13  LEU  47          3HD1      LEU  47  18.553  -6.560   3.809
  390   HD21  LEU  47          1HD2      LEU  47  18.576  -7.737  -0.050
  391   HD22  LEU  47          2HD2      LEU  47  19.271  -8.787   1.208
  392   HD23  LEU  47          3HD2      LEU  47  17.604  -9.058   0.643
  393    H    LEU  48           H        LEU  48  14.564  -6.619   5.065
  394    HA   LEU  48           HA       LEU  48  13.174  -9.066   5.628
  395    HB2  LEU  48          1HB       LEU  48  13.284  -6.507   7.225
  396    HB3  LEU  48          2HB       LEU  48  12.773  -8.085   7.792
  397    HG   LEU  48           HG       LEU  48  15.341  -8.559   6.846
  398   HD11  LEU  48          1HD1      LEU  48  16.796  -6.873   7.642
  399   HD12  LEU  48          2HD1      LEU  48  15.565  -6.042   6.659
  400   HD13  LEU  48          3HD1      LEU  48  15.468  -5.991   8.436
  401   HD21  LEU  48          1HD2      LEU  48  14.672  -7.864   9.711
  402   HD22  LEU  48          2HD2      LEU  48  14.152  -9.375   8.928
  403   HD23  LEU  48          3HD2      LEU  48  15.887  -9.015   9.102
  404    H    VAL  49           H        VAL  49  12.313  -5.593   5.063
  405    HA   VAL  49           HA       VAL  49   9.634  -6.551   4.343
  406    HB   VAL  49           HB       VAL  49   9.274  -5.611   6.438
  407   HG11  VAL  49          1HG1      VAL  49  10.248  -3.494   7.225
  408   HG12  VAL  49          2HG1      VAL  49  11.512  -4.669   6.790
  409   HG13  VAL  49          3HG1      VAL  49  11.130  -3.325   5.688
  410   HG21  VAL  49          1HG2      VAL  49   8.218  -3.331   5.962
  411   HG22  VAL  49          2HG2      VAL  49   8.798  -3.532   4.290
  412   HG23  VAL  49          3HG2      VAL  49   7.648  -4.703   4.981
  413    H    LYS  50           H        LYS  50   8.962  -5.896   2.350
  414    HA   LYS  50           HA       LYS  50  10.731  -4.035   0.962
  415    HB2  LYS  50          1HB       LYS  50  10.123  -6.411   0.120
  416    HB3  LYS  50          2HB       LYS  50   8.573  -5.715  -0.310
  417    HG2  LYS  50          1HG       LYS  50   9.463  -4.780  -2.173
  418    HG3  LYS  50          2HG       LYS  50  10.637  -3.904  -1.210
  419    HD2  LYS  50          1HD       LYS  50  12.318  -5.429  -1.614
  420    HD3  LYS  50          2HD       LYS  50  11.235  -6.805  -1.536
  421    HE2  LYS  50          1HE       LYS  50  10.702  -5.056  -3.866
  422    HE3  LYS  50          2HE       LYS  50  12.324  -5.720  -3.872
  423    HZ1  LYS  50          1HZ       LYS  50  11.438  -7.892  -3.711
  424    HZ2  LYS  50          2HZ       LYS  50   9.916  -7.352  -3.467
  425    HZ3  LYS  50          3HZ       LYS  50  10.635  -7.142  -4.918
  426    H    TYR  51           H        TYR  51   9.724  -2.380  -0.478
  427    HA   TYR  51           HA       TYR  51   7.067  -1.565   0.455
  428    HB2  TYR  51          1HB       TYR  51   9.777  -0.169   0.504
  429    HB3  TYR  51          2HB       TYR  51   8.367   0.823   0.196
  430    HD1  TYR  51          1HD       TYR  51   9.659  -1.704   2.642
  431    HD2  TYR  51          2HD       TYR  51   7.175   1.718   1.994
  432    HE1  TYR  51          1HE       TYR  51   9.221  -1.541   5.140
  433    HE2  TYR  51          2HE       TYR  51   6.746   1.871   4.496
  434    HH   TYR  51           HH       TYR  51   7.420   1.174   6.480
  435    H    VAL  52           H        VAL  52   5.737  -1.104  -1.228
  436    HA   VAL  52           HA       VAL  52   7.040  -0.449  -3.780
  437    HB   VAL  52           HB       VAL  52   4.759  -2.249  -3.067
  438   HG11  VAL  52          1HG1      VAL  52   3.929  -2.215  -5.364
  439   HG12  VAL  52          2HG1      VAL  52   3.800  -0.596  -4.633
  440   HG13  VAL  52          3HG1      VAL  52   5.106  -0.949  -5.791
  441   HG21  VAL  52          1HG2      VAL  52   6.201  -3.114  -5.347
  442   HG22  VAL  52          2HG2      VAL  52   7.402  -2.503  -4.182
  443   HG23  VAL  52          3HG2      VAL  52   6.258  -3.775  -3.697
  444    H    CYS  53           H        CYS  53   5.778   1.006  -5.208
  445    HA   CYS  53           HA       CYS  53   3.709   2.510  -3.853
  446    HB2  CYS  53          1HB       CYS  53   6.124   3.959  -4.977
  447    HB3  CYS  53          2HB       CYS  53   4.752   4.659  -4.139
  448    H    CYS  54           H        CYS  54   2.255   3.457  -5.378
  449    HA   CYS  54           HA       CYS  54   3.017   3.319  -8.172
  450    HB2  CYS  54          1HB       CYS  54   0.774   2.212  -8.693
  451    HB3  CYS  54          2HB       CYS  54   2.042   1.184  -8.056
  452    H    ASN  55           H        ASN  55   1.989   4.975  -9.374
  453    HA   ASN  55           HA       ASN  55   0.535   6.845  -7.730
  454    HB2  ASN  55          1HB       ASN  55   0.919   8.430  -9.599
  455    HB3  ASN  55          2HB       ASN  55   2.428   7.655  -9.156
  456   HD21  ASN  55          1HD2      ASN  55   0.310   8.402 -11.632
  457   HD22  ASN  55          2HD2      ASN  55   0.928   7.385 -12.891
  458    H    THR  56           H        THR  56  -0.657   4.244  -8.703
  459    HA   THR  56           HA       THR  56  -2.713   5.307 -10.525
  460    HB   THR  56           HB       THR  56  -2.923   2.555 -10.624
  461    HG1  THR  56          1HG       THR  56  -0.780   1.772 -10.348
  462   HG21  THR  56          1HG2      THR  56  -0.906   4.265 -12.175
  463   HG22  THR  56          2HG2      THR  56  -1.462   2.645 -12.655
  464   HG23  THR  56          3HG2      THR  56  -2.606   4.007 -12.634
  465    H    ASP  57           H        ASP  57  -4.907   4.168 -10.229
  466    HA   ASP  57           HA       ASP  57  -5.546   4.544  -7.463
  467    HB2  ASP  57          1HB       ASP  57  -7.045   4.311 -10.058
  468    HB3  ASP  57          2HB       ASP  57  -7.916   3.844  -8.611
  469    H    ARG  58           H        ARG  58  -6.336   2.860  -6.074
  470    HA   ARG  58           HA       ARG  58  -6.325   0.831  -5.285
  471    HB2  ARG  58          1HB       ARG  58  -7.930   0.442  -7.853
  472    HB3  ARG  58          2HB       ARG  58  -7.808  -0.815  -6.638
  473    HG2  ARG  58          1HG       ARG  58  -9.368   0.197  -5.335
  474    HG3  ARG  58          2HG       ARG  58  -8.470   1.703  -5.341
  475    HD2  ARG  58          1HD       ARG  58 -10.113   2.592  -6.636
  476    HD3  ARG  58          2HD       ARG  58  -9.570   1.555  -7.940
  477    HE   ARG  58           HE       ARG  58 -11.920   1.132  -6.226
  478   HH11  ARG  58          1HH1      ARG  58 -12.807  -1.798  -7.902
  479   HH12  ARG  58          2HH1      ARG  58 -13.319  -0.590  -6.771
  480   HH21  ARG  58          1HH2      ARG  58 -10.700  -1.666  -8.864
  481   HH22  ARG  58          2HH2      ARG  58  -9.638  -0.362  -8.450
  482    H    CYS  59           H        CYS  59  -4.015   1.509  -7.083
  483    HA   CYS  59           HA       CYS  59  -3.437  -0.734  -8.683
  484    HB2  CYS  59          1HB       CYS  59  -1.080   0.221  -8.620
  485    HB3  CYS  59          2HB       CYS  59  -2.331   1.267  -9.261
  486    H    ASN  60           H        ASN  60  -3.112   0.113  -5.254
  487    HA   ASN  60           HA       ASN  60  -1.370  -2.147  -4.819
  488    HB2  ASN  60          1HB       ASN  60  -1.044  -1.254  -2.596
  489    HB3  ASN  60          2HB       ASN  60  -1.049   0.135  -3.665
  490   HD21  ASN  60          1HD2      ASN  60  -1.904  -0.611  -0.766
  491   HD22  ASN  60          2HD2      ASN  60  -3.421   0.195  -0.554
  492    H1   HOH 101          1H        HOH  61   4.807 -11.120   2.292
  493    H2   HOH 101          2H        HOH  61   3.998  -9.841   2.306
  Start of MODEL    5
    1    H1   LEU   1           H        LEU   1  -5.349  10.377  -4.981
    2    HA   LEU   1           HA       LEU   1  -6.889   8.476  -6.104
    3    HB2  LEU   1          1HB       LEU   1  -4.086   8.810  -5.422
    4    HB3  LEU   1          2HB       LEU   1  -4.560   7.123  -5.384
    5    HG   LEU   1           HG       LEU   1  -5.385   7.272  -7.688
    6   HD11  LEU   1          1HD1      LEU   1  -4.194   9.814  -8.414
    7   HD12  LEU   1          2HD1      LEU   1  -5.825   9.179  -8.741
    8   HD13  LEU   1          3HD1      LEU   1  -5.490  10.022  -7.210
    9   HD21  LEU   1          1HD2      LEU   1  -2.786   8.387  -8.265
   10   HD22  LEU   1          2HD2      LEU   1  -2.707   7.330  -6.836
   11   HD23  LEU   1          3HD2      LEU   1  -3.352   6.701  -8.372
   12    H    LYS   2           H        LYS   2  -6.850   6.000  -5.515
   13    HA   LYS   2           HA       LYS   2  -7.539   5.786  -2.667
   14    HB2  LYS   2          1HB       LYS   2  -8.936   4.515  -5.040
   15    HB3  LYS   2          2HB       LYS   2  -9.274   4.138  -3.362
   16    HG2  LYS   2          1HG       LYS   2  -9.313   7.010  -3.634
   17    HG3  LYS   2          2HG       LYS   2 -10.270   6.344  -4.940
   18    HD2  LYS   2          1HD       LYS   2 -11.380   4.841  -3.107
   19    HD3  LYS   2          2HD       LYS   2 -10.651   5.937  -1.950
   20    HE2  LYS   2          1HE       LYS   2 -12.587   7.137  -2.230
   21    HE3  LYS   2          2HE       LYS   2 -11.781   7.760  -3.657
   22    HZ1  LYS   2          1HZ       LYS   2 -13.914   6.934  -4.237
   23    HZ2  LYS   2          2HZ       LYS   2 -12.803   5.940  -4.904
   24    HZ3  LYS   2          3HZ       LYS   2 -13.622   5.472  -3.570
   25    H    CYS   3           H        CYS   3  -7.009   3.784  -1.628
   26    HA   CYS   3           HA       CYS   3  -5.275   2.051  -3.216
   27    HB2  CYS   3          1HB       CYS   3  -4.523   2.784  -0.389
   28    HB3  CYS   3          2HB       CYS   3  -3.538   2.038  -1.632
   29    H    ASN   4           H        ASN   4  -5.254  -0.178  -2.417
   30    HA   ASN   4           HA       ASN   4  -7.682  -0.769  -1.005
   31    HB2  ASN   4          1HB       ASN   4  -5.649  -2.812  -1.999
   32    HB3  ASN   4          2HB       ASN   4  -7.376  -3.027  -1.793
   33   HD21  ASN   4          1HD2      ASN   4  -5.981  -3.649  -4.122
   34   HD22  ASN   4          2HD2      ASN   4  -6.508  -2.626  -5.416
   35    H    LYS   5           H        LYS   5  -7.587  -2.469   0.812
   36    HA   LYS   5           HA       LYS   5  -5.341  -1.851   2.542
   37    HB2  LYS   5          1HB       LYS   5  -7.948  -3.303   3.084
   38    HB3  LYS   5          2HB       LYS   5  -6.738  -2.906   4.288
   39    HG2  LYS   5          1HG       LYS   5  -8.440  -0.985   2.653
   40    HG3  LYS   5          2HG       LYS   5  -8.396  -1.162   4.396
   41    HD2  LYS   5          1HD       LYS   5  -6.173  -0.052   2.623
   42    HD3  LYS   5          2HD       LYS   5  -7.150   0.852   3.763
   43    HE2  LYS   5          1HE       LYS   5  -6.162  -1.078   5.439
   44    HE3  LYS   5          2HE       LYS   5  -4.851  -0.999   4.279
   45    HZ1  LYS   5          1HZ       LYS   5  -5.391   1.581   4.719
   46    HZ2  LYS   5          2HZ       LYS   5  -5.674   0.941   6.195
   47    HZ3  LYS   5          3HZ       LYS   5  -4.220   0.736   5.481
   48    H    LEU   6           H        LEU   6  -5.094  -4.095   4.116
   49    HA   LEU   6           HA       LEU   6  -3.299  -5.628   2.800
   50    HB2  LEU   6          1HB       LEU   6  -3.961  -5.478   5.289
   51    HB3  LEU   6          2HB       LEU   6  -5.082  -6.774   4.931
   52    HG   LEU   6           HG       LEU   6  -3.321  -8.281   4.364
   53   HD11  LEU   6          1HD1      LEU   6  -0.907  -7.538   4.471
   54   HD12  LEU   6          2HD1      LEU   6  -1.843  -6.950   3.075
   55   HD13  LEU   6          3HD1      LEU   6  -1.509  -5.863   4.444
   56   HD21  LEU   6          1HD2      LEU   6  -2.007  -7.016   6.707
   57   HD22  LEU   6          2HD2      LEU   6  -3.736  -7.410   6.867
   58   HD23  LEU   6          3HD2      LEU   6  -2.567  -8.686   6.458
   59    H    VAL   7           H        VAL   7  -6.856  -6.194   3.073
   60    HA   VAL   7           HA       VAL   7  -6.542  -8.314   1.070
   61    HB   VAL   7           HB       VAL   7  -8.447  -7.796   3.313
   62   HG11  VAL   7          1HG1      VAL   7 -10.205  -8.131   1.930
   63   HG12  VAL   7          2HG1      VAL   7  -9.195  -8.832   0.643
   64   HG13  VAL   7          3HG1      VAL   7  -9.706  -9.838   2.019
   65   HG21  VAL   7          1HG2      VAL   7  -7.357 -10.427   2.291
   66   HG22  VAL   7          2HG2      VAL   7  -6.434  -9.374   3.388
   67   HG23  VAL   7          3HG2      VAL   7  -8.001 -10.040   3.905
   68    H    PRO   8           H        PRO   8  -6.556  -7.940  -1.159
   69    HA   PRO   8           HA       PRO   8  -7.758  -5.153  -1.738
   70   1HB   PRO   8          1HB       PRO   8  -8.162  -7.561  -3.482
   71   2HB   PRO   8          2HB       PRO   8  -7.341  -6.087  -3.853
   72   1HG   PRO   8          1HG       PRO   8  -5.879  -8.253  -3.232
   73   2HG   PRO   8          2HG       PRO   8  -5.426  -6.732  -2.530
   74   1HD   PRO   8          1HD       PRO   8  -7.008  -8.942  -1.197
   75   2HD   PRO   8          2HD       PRO   8  -5.668  -8.034  -0.562
   76    H    ILE   9           H        ILE   9 -10.001  -7.312  -0.374
   77    HA   ILE   9           HA       ILE   9 -12.183  -6.544  -2.102
   78    HB   ILE   9           HB       ILE   9 -13.465  -8.090  -0.932
   79   HG12  ILE   9          1HG1      ILE   9 -11.906  -8.972   1.271
   80   HG13  ILE   9          2HG1      ILE   9 -11.942  -7.221   1.353
   81   HG21  ILE   9          1HG2      ILE   9 -11.810  -9.188  -2.290
   82   HG22  ILE   9          2HG2      ILE   9 -10.608  -9.097  -0.980
   83   HG23  ILE   9          3HG2      ILE   9 -12.047 -10.128  -0.796
   84   HD11  ILE   9          1HD1      ILE   9 -14.543  -8.549   0.690
   85   HD12  ILE   9          2HD1      ILE   9 -13.929  -8.783   2.345
   86   HD13  ILE   9          3HD1      ILE   9 -14.218  -7.139   1.727
   87    H    ALA  10           H        ALA  10 -10.405  -4.791  -0.058
   88    HA   ALA  10           HA       ALA  10 -12.630  -3.079   0.584
   89    HB1  ALA  10          1HB       ALA  10 -10.843  -3.871   2.882
   90    HB2  ALA  10          2HB       ALA  10 -12.468  -3.149   2.913
   91    HB3  ALA  10          3HB       ALA  10 -12.265  -4.863   2.478
   92    H    TYR  11           H        TYR  11 -11.995  -0.983   0.311
   93    HA   TYR  11           HA       TYR  11  -9.185  -0.335   0.715
   94    HB2  TYR  11          1HB       TYR  11  -9.042   0.565  -1.569
   95    HB3  TYR  11          2HB       TYR  11  -9.702  -1.051  -1.727
   96    HD1  TYR  11          1HD       TYR  11 -12.393  -1.135  -1.597
   97    HD2  TYR  11          2HD       TYR  11 -10.078   2.274  -2.745
   98    HE1  TYR  11          1HE       TYR  11 -14.394  -0.188  -2.847
   99    HE2  TYR  11          2HE       TYR  11 -12.088   3.209  -3.990
  100    HH   TYR  11           HH       TYR  11 -15.038   2.440  -3.482
  101    H    LYS  12           H        LYS  12  -8.820   2.072   0.668
  102    HA   LYS  12           HA       LYS  12 -11.285   3.568   1.141
  103    HB2  LYS  12          1HB       LYS  12  -8.907   3.498   3.021
  104    HB3  LYS  12          2HB       LYS  12 -10.245   4.623   3.135
  105    HG2  LYS  12          1HG       LYS  12 -11.388   2.000   2.899
  106    HG3  LYS  12          2HG       LYS  12 -10.099   1.885   4.080
  107    HD2  LYS  12          1HD       LYS  12 -11.430   2.872   5.622
  108    HD3  LYS  12          2HD       LYS  12 -11.476   4.326   4.647
  109    HE2  LYS  12          1HE       LYS  12 -13.738   3.878   4.611
  110    HE3  LYS  12          2HE       LYS  12 -13.289   2.862   3.256
  111    HZ1  LYS  12          1HZ       LYS  12 -13.752   1.054   4.419
  112    HZ2  LYS  12          2HZ       LYS  12 -12.970   1.560   5.761
  113    HZ3  LYS  12          3HZ       LYS  12 -14.512   2.023   5.492
  114    H    THR  13           H        THR  13 -10.229   6.047   1.697
  115    HA   THR  13           HA       THR  13  -8.923   6.640  -0.843
  116    HB   THR  13           HB       THR  13  -9.890   8.690   1.168
  117    HG1  THR  13          1HG       THR  13 -12.045   8.202   0.139
  118   HG21  THR  13          1HG2      THR  13 -10.894   8.862  -1.567
  119   HG22  THR  13          2HG2      THR  13  -9.888  10.033  -0.680
  120   HG23  THR  13          3HG2      THR  13  -9.120   8.705  -1.583
  121    H    CYS  14           H        CYS  14  -6.937   7.624  -1.083
  122    HA   CYS  14           HA       CYS  14  -5.073   7.056   0.925
  123    HB2  CYS  14          1HB       CYS  14  -4.796   8.848  -1.511
  124    HB3  CYS  14          2HB       CYS  14  -3.471   8.263  -0.527
  125    H    PRO  15           H        PRO  15  -4.929   7.761   3.134
  126    HA   PRO  15           HA       PRO  15  -6.746  10.304   3.340
  127   1HB   PRO  15          1HB       PRO  15  -4.971  10.122   5.481
  128   2HB   PRO  15          2HB       PRO  15  -6.367   9.127   5.261
  129   1HG   PRO  15          1HG       PRO  15  -3.459   8.542   4.563
  130   2HG   PRO  15          2HG       PRO  15  -4.649   7.490   5.262
  131   1HD   PRO  15          1HD       PRO  15  -4.092   7.294   2.623
  132   2HD   PRO  15          2HD       PRO  15  -5.699   7.008   3.222
  133    H    GLU  16           H        GLU  16  -5.768  12.122   5.084
  134    HA   GLU  16           HA       GLU  16  -5.000  14.171   3.442
  135    HB2  GLU  16          1HB       GLU  16  -4.719  13.833   6.456
  136    HB3  GLU  16          2HB       GLU  16  -4.415  15.350   5.634
  137    HG2  GLU  16          1HG       GLU  16  -7.021  13.948   5.058
  138    HG3  GLU  16          2HG       GLU  16  -6.845  14.728   6.617
  139    H    GLY  17           H        GLY  17  -3.076  14.802   2.548
  140    HA2  GLY  17          1HA       GLY  17  -0.810  15.179   2.486
  141    HA3  GLY  17          2HA       GLY  17  -0.578  14.154   3.888
  142    H    LYS  18           H        LYS  18  -2.138  11.857   2.883
  143    HA   LYS  18           HA       LYS  18  -0.082  10.789   1.146
  144    HB2  LYS  18          1HB       LYS  18  -2.396   9.516   2.632
  145    HB3  LYS  18          2HB       LYS  18  -1.299   8.630   1.592
  146    HG2  LYS  18          1HG       LYS  18  -0.232   8.354   3.648
  147    HG3  LYS  18          2HG       LYS  18   0.591   9.784   3.062
  148    HD2  LYS  18          1HD       LYS  18  -0.767  11.251   4.421
  149    HD3  LYS  18          2HD       LYS  18  -1.919   9.981   4.776
  150    HE2  LYS  18          1HE       LYS  18   0.371   8.808   5.728
  151    HE3  LYS  18          2HE       LYS  18   0.775  10.493   5.981
  152    HZ1  LYS  18          1HZ       LYS  18  -0.819   8.971   7.558
  153    HZ2  LYS  18          2HZ       LYS  18  -0.655  10.593   7.640
  154    HZ3  LYS  18          3HZ       LYS  18  -1.877   9.938   6.776
  155    H    ASN  19           H        ASN  19  -0.416  10.010  -0.958
  156    HA   ASN  19           HA       ASN  19  -3.075  10.400  -2.028
  157    HB2  ASN  19          1HB       ASN  19  -1.948  12.501  -2.596
  158    HB3  ASN  19          2HB       ASN  19  -0.512  11.651  -3.132
  159   HD21  ASN  19          1HD2      ASN  19  -0.419  12.229  -5.204
  160   HD22  ASN  19          2HD2      ASN  19  -1.619  11.893  -6.407
  161    H    LEU  20           H        LEU  20   0.359   9.338  -2.448
  162    HA   LEU  20           HA       LEU  20  -0.302   7.564  -4.602
  163    HB2  LEU  20          1HB       LEU  20   2.203   8.100  -3.013
  164    HB3  LEU  20          2HB       LEU  20   2.108   6.851  -4.239
  165    HG   LEU  20           HG       LEU  20   1.126   9.291  -5.378
  166   HD11  LEU  20          1HD1      LEU  20   2.250  10.817  -4.163
  167   HD12  LEU  20          2HD1      LEU  20   3.416   9.626  -3.540
  168   HD13  LEU  20          3HD1      LEU  20   3.627  10.309  -5.170
  169   HD21  LEU  20          1HD2      LEU  20   2.725   8.861  -7.059
  170   HD22  LEU  20          2HD2      LEU  20   3.766   7.938  -5.950
  171   HD23  LEU  20          3HD2      LEU  20   2.201   7.266  -6.468
  172    H    CYS  21           H        CYS  21   0.028   5.200  -4.501
  173    HA   CYS  21           HA       CYS  21  -0.873   4.226  -1.901
  174    HB2  CYS  21          1HB       CYS  21  -1.053   2.893  -4.624
  175    HB3  CYS  21          2HB       CYS  21  -1.690   2.253  -3.124
  176    H    TYR  22           H        TYR  22   0.313   2.582  -0.825
  177    HA   TYR  22           HA       TYR  22   2.787   1.726  -2.157
  178    HB2  TYR  22          1HB       TYR  22   3.973   2.281  -0.111
  179    HB3  TYR  22          2HB       TYR  22   2.908   3.649  -0.363
  180    HD1  TYR  22          1HD       TYR  22   2.951   0.324   1.379
  181    HD2  TYR  22          2HD       TYR  22   1.590   4.380   1.411
  182    HE1  TYR  22          1HE       TYR  22   1.952  -0.021   3.691
  183    HE2  TYR  22          2HE       TYR  22   0.596   4.021   3.724
  184    HH   TYR  22           HH       TYR  22   1.358   2.087   5.729
  185    H    LYS  23           H        LYS  23   3.568  -0.365  -1.543
  186    HA   LYS  23           HA       LYS  23   1.727  -1.896   0.145
  187    HB2  LYS  23          1HB       LYS  23   1.822  -2.109  -2.639
  188    HB3  LYS  23          2HB       LYS  23   2.797  -3.452  -2.078
  189    HG2  LYS  23          1HG       LYS  23   0.913  -4.066  -0.479
  190    HG3  LYS  23          2HG       LYS  23  -0.060  -2.808  -1.214
  191    HD2  LYS  23          1HD       LYS  23   0.996  -5.351  -2.502
  192    HD3  LYS  23          2HD       LYS  23  -0.672  -4.840  -2.337
  193    HE2  LYS  23          1HE       LYS  23  -0.433  -4.113  -4.496
  194    HE3  LYS  23          2HE       LYS  23   0.343  -2.721  -3.767
  195    HZ1  LYS  23          1HZ       LYS  23   2.230  -3.325  -4.690
  196    HZ2  LYS  23          2HZ       LYS  23   2.185  -4.813  -4.019
  197    HZ3  LYS  23          3HZ       LYS  23   1.475  -4.547  -5.465
  198    H    MET  24           H        MET  24   2.777  -2.930   1.756
  199    HA   MET  24           HA       MET  24   5.663  -3.174   1.422
  200    HB2  MET  24          1HB       MET  24   3.804  -2.685   3.766
  201    HB3  MET  24          2HB       MET  24   5.307  -3.522   4.092
  202    HG2  MET  24          1HG       MET  24   6.574  -1.631   3.783
  203    HG3  MET  24          2HG       MET  24   5.664  -1.134   2.371
  204    HE1  MET  24          1HE       MET  24   6.030  -1.424   5.995
  205    HE2  MET  24          2HE       MET  24   5.131  -0.066   6.711
  206    HE3  MET  24          3HE       MET  24   4.294  -1.593   6.345
  207    H    PHE  25           H        PHE  25   6.728  -5.158   1.934
  208    HA   PHE  25           HA       PHE  25   4.916  -7.407   2.440
  209    HB2  PHE  25          1HB       PHE  25   7.217  -7.023   0.442
  210    HB3  PHE  25          2HB       PHE  25   6.637  -8.623   0.865
  211    HD1  PHE  25          1HD       PHE  25   4.871  -9.563  -0.320
  212    HD2  PHE  25          2HD       PHE  25   5.447  -5.361  -0.481
  213    HE1  PHE  25          1HE       PHE  25   3.094  -9.385  -2.085
  214    HE2  PHE  25          2HE       PHE  25   3.671  -5.185  -2.245
  215    HZ   PHE  25           HZ       PHE  25   2.515  -7.199  -3.027
  216    H    MET  26           H        MET  26   6.568  -9.483   2.779
  217    HA   MET  26           HA       MET  26   8.655  -8.539   4.575
  218    HB2  MET  26          1HB       MET  26   6.532 -10.691   5.101
  219    HB3  MET  26          2HB       MET  26   7.946 -10.481   6.116
  220    HG2  MET  26          1HG       MET  26   7.254  -8.148   6.638
  221    HG3  MET  26          2HG       MET  26   5.873  -8.300   5.572
  222    HE1  MET  26          1HE       MET  26   6.323  -9.832   9.816
  223    HE2  MET  26          2HE       MET  26   7.662  -9.986   8.654
  224    HE3  MET  26          3HE       MET  26   7.008  -8.379   9.051
  225    H    MET  27           H        MET  27  10.383 -10.158   4.985
  226    HA   MET  27           HA       MET  27  11.203 -11.365   2.663
  227    HB2  MET  27          1HB       MET  27  11.950 -11.508   5.594
  228    HB3  MET  27          2HB       MET  27  12.649 -12.716   4.535
  229    HG2  MET  27          1HG       MET  27  12.797  -9.996   3.383
  230    HG3  MET  27          2HG       MET  27  13.621 -10.113   4.924
  231    HE1  MET  27          1HE       MET  27  14.215 -12.650   1.220
  232    HE2  MET  27          2HE       MET  27  12.897 -11.529   1.641
  233    HE3  MET  27          3HE       MET  27  14.433 -10.896   1.002
  234    H    SER  28           H        SER  28   8.781 -12.390   4.877
  235    HA   SER  28           HA       SER  28   9.180 -15.142   4.774
  236    HB2  SER  28          1HB       SER  28   7.719 -14.416   6.466
  237    HB3  SER  28          2HB       SER  28   6.852 -13.327   5.402
  238    HG   SER  28           HG       SER  28   5.417 -14.896   5.203
  239    H    ASP  29           H        ASP  29   7.139 -12.874   2.811
  240    HA   ASP  29           HA       ASP  29   7.448 -14.553   0.558
  241    HB2  ASP  29          1HB       ASP  29   4.819 -14.631   0.286
  242    HB3  ASP  29          2HB       ASP  29   5.632 -15.857   1.237
  243    H    LEU  30           H        LEU  30   8.130 -12.688  -0.596
  244    HA   LEU  30           HA       LEU  30   6.801 -10.194  -0.298
  245    HB2  LEU  30          1HB       LEU  30   8.767 -11.110  -2.400
  246    HB3  LEU  30          2HB       LEU  30   8.302  -9.454  -2.064
  247    HG   LEU  30           HG       LEU  30   9.604 -11.204   0.028
  248   HD11  LEU  30          1HD1      LEU  30  10.900  -9.575  -2.156
  249   HD12  LEU  30          2HD1      LEU  30  11.724  -9.921  -0.615
  250   HD13  LEU  30          3HD1      LEU  30  11.215 -11.260  -1.673
  251   HD21  LEU  30          1HD2      LEU  30  10.301  -8.496   0.329
  252   HD22  LEU  30          2HD2      LEU  30   8.558  -8.518  -0.029
  253   HD23  LEU  30          3HD2      LEU  30   9.198  -9.461   1.338
  254    H    THR  31           H        THR  31   6.053 -13.101  -1.948
  255    HA   THR  31           HA       THR  31   4.866 -12.022  -4.278
  256    HB   THR  31           HB       THR  31   5.532 -14.365  -4.168
  257    HG1  THR  31          1HG       THR  31   2.632 -14.185  -3.800
  258   HG21  THR  31          1HG2      THR  31   3.730 -14.386  -1.712
  259   HG22  THR  31          2HG2      THR  31   4.012 -15.874  -2.646
  260   HG23  THR  31          3HG2      THR  31   5.379 -15.034  -1.877
  261    H    ILE  32           H        ILE  32   3.939 -11.991  -0.930
  262    HA   ILE  32           HA       ILE  32   1.395 -10.828  -1.753
  263    HB   ILE  32           HB       ILE  32   1.778 -13.279  -0.118
  264   HG12  ILE  32          1HG1      ILE  32  -0.660 -12.465  -1.686
  265   HG13  ILE  32          2HG1      ILE  32   0.781 -13.015  -2.518
  266   HG21  ILE  32          1HG2      ILE  32  -0.416 -11.267   0.458
  267   HG22  ILE  32          2HG2      ILE  32  -0.287 -12.910   1.130
  268   HG23  ILE  32          3HG2      ILE  32   0.937 -11.683   1.539
  269   HD11  ILE  32          1HD1      ILE  32  -0.624 -14.570  -0.297
  270   HD12  ILE  32          2HD1      ILE  32  -0.824 -14.877  -2.039
  271   HD13  ILE  32          3HD1      ILE  32   0.758 -15.135  -1.266
  272    H    PRO  33           H        PRO  33   0.849  -8.718  -1.156
  273    HA   PRO  33           HA       PRO  33   3.012  -7.806   0.986
  274   1HB   PRO  33          1HB       PRO  33   0.781  -6.177   1.002
  275   2HB   PRO  33          2HB       PRO  33   1.972  -6.181  -0.248
  276   1HG   PRO  33          1HG       PRO  33  -0.743  -7.564  -0.172
  277   2HG   PRO  33          2HG       PRO  33   0.025  -6.734  -1.488
  278   1HD   PRO  33          1HD       PRO  33   0.093  -9.465  -1.331
  279   2HD   PRO  33          2HD       PRO  33   1.352  -8.547  -2.103
  280    H    VAL  34           H        VAL  34   2.863  -6.810   3.088
  281    HA   VAL  34           HA       VAL  34   1.202  -8.415   4.894
  282    HB   VAL  34           HB       VAL  34   3.549  -8.659   5.284
  283   HG11  VAL  34          1HG1      VAL  34   4.789  -6.464   6.072
  284   HG12  VAL  34          2HG1      VAL  34   4.690  -6.890   4.348
  285   HG13  VAL  34          3HG1      VAL  34   3.588  -5.671   5.027
  286   HG21  VAL  34          1HG2      VAL  34   3.734  -7.765   7.616
  287   HG22  VAL  34          2HG2      VAL  34   2.239  -6.842   7.333
  288   HG23  VAL  34          3HG2      VAL  34   2.207  -8.622   7.287
  289    H    LYS  35           H        LYS  35   2.062  -5.125   3.807
  290    HA   LYS  35           HA       LYS  35  -0.241  -4.163   5.336
  291    HB2  LYS  35          1HB       LYS  35   2.334  -2.594   5.105
  292    HB3  LYS  35          2HB       LYS  35   0.926  -2.219   6.078
  293    HG2  LYS  35          1HG       LYS  35   2.401  -4.838   6.498
  294    HG3  LYS  35          2HG       LYS  35   3.022  -3.362   7.209
  295    HD2  LYS  35          1HD       LYS  35   0.111  -4.147   7.586
  296    HD3  LYS  35          2HD       LYS  35   1.357  -4.839   8.605
  297    HE2  LYS  35          1HE       LYS  35   1.102  -1.828   8.223
  298    HE3  LYS  35          2HE       LYS  35   0.187  -2.678   9.451
  299    HZ1  LYS  35          1HZ       LYS  35   2.176  -3.392  10.458
  300    HZ2  LYS  35          2HZ       LYS  35   3.105  -2.876   9.219
  301    HZ3  LYS  35          3HZ       LYS  35   2.355  -1.793  10.185
  302    H    ARG  36           H        ARG  36  -1.404  -2.434   4.331
  303    HA   ARG  36           HA       ARG  36  -0.459  -1.693   1.712
  304    HB2  ARG  36          1HB       ARG  36  -3.074  -3.139   2.292
  305    HB3  ARG  36          2HB       ARG  36  -2.935  -2.086   0.897
  306    HG2  ARG  36          1HG       ARG  36  -0.659  -3.534   0.549
  307    HG3  ARG  36          2HG       ARG  36  -1.598  -4.722   1.431
  308    HD2  ARG  36          1HD       ARG  36  -3.464  -3.782  -0.406
  309    HD3  ARG  36          2HD       ARG  36  -1.979  -3.686  -1.329
  310    HE   ARG  36           HE       ARG  36  -2.101  -6.216   0.046
  311   HH11  ARG  36          1HH1      ARG  36  -3.347  -8.015  -2.672
  312   HH12  ARG  36          2HH1      ARG  36  -2.584  -8.121  -1.122
  313   HH21  ARG  36          1HH2      ARG  36  -3.877  -5.939  -3.567
  314   HH22  ARG  36          2HH2      ARG  36  -3.511  -4.497  -2.682
  315    H    GLY  37           H        GLY  37  -0.781   0.503   1.415
  316    HA2  GLY  37          1HA       GLY  37  -3.120   1.847   2.336
  317    HA3  GLY  37          2HA       GLY  37  -1.754   2.166   3.385
  318    H    CYS  38           H        CYS  38  -2.120   4.449   2.551
  319    HA   CYS  38           HA       CYS  38  -0.791   4.760  -0.042
  320    HB2  CYS  38          1HB       CYS  38  -2.872   6.555   1.248
  321    HB3  CYS  38          2HB       CYS  38  -1.991   6.943  -0.217
  322    H    ILE  39           H        ILE  39   0.495   6.905  -0.148
  323    HA   ILE  39           HA       ILE  39   1.286   8.002   2.384
  324    HB   ILE  39           HB       ILE  39   2.580   5.890   2.240
  325   HG12  ILE  39          1HG1      ILE  39   4.653   7.996   2.006
  326   HG13  ILE  39          2HG1      ILE  39   3.353   8.343   3.127
  327   HG21  ILE  39          1HG2      ILE  39   2.877   6.522  -0.432
  328   HG22  ILE  39          2HG2      ILE  39   4.481   6.877   0.253
  329   HG23  ILE  39          3HG2      ILE  39   3.764   5.262   0.458
  330   HD11  ILE  39          1HD1      ILE  39   5.191   5.911   3.130
  331   HD12  ILE  39          2HD1      ILE  39   5.049   7.172   4.379
  332   HD13  ILE  39          3HD1      ILE  39   3.720   6.013   4.128
  333    H    ASP  40           H        ASP  40   2.835   9.852   2.053
  334    HA   ASP  40           HA       ASP  40   2.010  11.226  -0.298
  335    HB2  ASP  40          1HB       ASP  40   2.138  12.451   1.806
  336    HB3  ASP  40          2HB       ASP  40   3.799  11.955   2.059
  337    H    VAL  41           H        VAL  41   5.021   9.868   1.169
  338    HA   VAL  41           HA       VAL  41   6.321  10.186  -1.444
  339    HB   VAL  41           HB       VAL  41   7.433  10.667   1.321
  340   HG11  VAL  41          1HG1      VAL  41   9.369  11.188  -0.728
  341   HG12  VAL  41          2HG1      VAL  41   9.469  10.064   0.647
  342   HG13  VAL  41          3HG1      VAL  41   8.787   9.516  -0.902
  343   HG21  VAL  41          1HG2      VAL  41   7.962  12.882   0.479
  344   HG22  VAL  41          2HG2      VAL  41   7.366  12.446  -1.141
  345   HG23  VAL  41          3HG2      VAL  41   6.231  12.548   0.227
  346    H    CYS  42           H        CYS  42   7.398   8.378  -2.219
  347    HA   CYS  42           HA       CYS  42   6.648   5.917  -1.134
  348    HB2  CYS  42          1HB       CYS  42   7.159   6.313  -3.535
  349    HB3  CYS  42          2HB       CYS  42   8.856   6.501  -3.136
  350    H    PRO  43           H        PRO  43   7.021   4.908   0.932
  351    HA   PRO  43           HA       PRO  43  10.021   5.539   1.843
  352   1HB   PRO  43          1HB       PRO  43   8.599   2.989   2.385
  353   2HB   PRO  43          2HB       PRO  43   9.090   4.217   3.498
  354   1HG   PRO  43          1HG       PRO  43   6.477   3.977   2.834
  355   2HG   PRO  43          2HG       PRO  43   7.169   5.562   2.988
  356   1HD   PRO  43          1HD       PRO  43   6.754   4.023   0.403
  357   2HD   PRO  43          2HD       PRO  43   6.260   5.648   0.776
  358    H    LYS  44           H        LYS  44  11.947   4.359   2.087
  359    HA   LYS  44           HA       LYS  44  12.738   2.975  -0.280
  360    HB2  LYS  44          1HB       LYS  44  14.235   3.415   2.319
  361    HB3  LYS  44          2HB       LYS  44  14.928   2.879   0.802
  362    HG2  LYS  44          1HG       LYS  44  15.226   5.052   0.231
  363    HG3  LYS  44          2HG       LYS  44  13.484   5.221   0.131
  364    HD2  LYS  44          1HD       LYS  44  13.383   6.429   2.063
  365    HD3  LYS  44          2HD       LYS  44  14.409   5.296   2.922
  366    HE2  LYS  44          1HE       LYS  44  16.003   6.924   2.871
  367    HE3  LYS  44          2HE       LYS  44  16.217   6.511   1.183
  368    HZ1  LYS  44          1HZ       LYS  44  15.778   8.780   1.251
  369    HZ2  LYS  44          2HZ       LYS  44  14.370   8.123   0.751
  370    HZ3  LYS  44          3HZ       LYS  44  14.532   8.632   2.294
  371    H    ASN  45           H        ASN  45  13.633   0.772  -0.326
  372    HA   ASN  45           HA       ASN  45  11.922  -0.947   1.183
  373    HB2  ASN  45          1HB       ASN  45  14.170  -1.760  -0.725
  374    HB3  ASN  45          2HB       ASN  45  12.771  -2.716  -0.274
  375   HD21  ASN  45          1HD2      ASN  45  14.093  -0.582  -2.491
  376   HD22  ASN  45          2HD2      ASN  45  12.679  -0.165  -3.403
  377    H    SER  46           H        SER  46  13.001  -3.017   2.199
  378    HA   SER  46           HA       SER  46  15.625  -2.353   3.261
  379    HB2  SER  46          1HB       SER  46  14.857  -3.274   5.494
  380    HB3  SER  46          2HB       SER  46  14.126  -1.745   5.045
  381    HG   SER  46           HG       SER  46  12.339  -3.211   4.100
  382    H    LEU  47           H        LEU  47  16.504  -4.460   4.503
  383    HA   LEU  47           HA       LEU  47  16.226  -6.604   2.583
  384    HB2  LEU  47          1HB       LEU  47  18.034  -6.435   4.993
  385    HB3  LEU  47          2HB       LEU  47  18.165  -7.535   3.635
  386    HG   LEU  47           HG       LEU  47  18.214  -4.882   2.586
  387   HD11  LEU  47          1HD1      LEU  47  20.475  -5.137   4.526
  388   HD12  LEU  47          2HD1      LEU  47  19.764  -3.690   3.773
  389   HD13  LEU  47          3HD1      LEU  47  18.911  -4.510   5.103
  390   HD21  LEU  47          1HD2      LEU  47  19.406  -7.276   2.082
  391   HD22  LEU  47          2HD2      LEU  47  19.894  -5.725   1.357
  392   HD23  LEU  47          3HD2      LEU  47  20.761  -6.356   2.777
  393    H    LEU  48           H        LEU  48  14.233  -5.656   4.900
  394    HA   LEU  48           HA       LEU  48  13.789  -8.400   5.852
  395    HB2  LEU  48          1HB       LEU  48  13.225  -5.850   7.371
  396    HB3  LEU  48          2HB       LEU  48  12.938  -7.488   7.927
  397    HG   LEU  48           HG       LEU  48  15.719  -7.126   7.149
  398   HD11  LEU  48          1HD1      LEU  48  15.136  -5.530   9.589
  399   HD12  LEU  48          2HD1      LEU  48  16.438  -5.370   8.387
  400   HD13  LEU  48          3HD1      LEU  48  14.806  -4.763   8.017
  401   HD21  LEU  48          1HD2      LEU  48  16.135  -8.081   9.343
  402   HD22  LEU  48          2HD2      LEU  48  14.436  -7.823   9.806
  403   HD23  LEU  48          3HD2      LEU  48  14.841  -8.978   8.513
  404    H    VAL  49           H        VAL  49  12.378  -5.219   4.907
  405    HA   VAL  49           HA       VAL  49   9.976  -6.705   4.109
  406    HB   VAL  49           HB       VAL  49  10.281  -4.468   5.969
  407   HG11  VAL  49          1HG1      VAL  49   8.168  -4.254   3.796
  408   HG12  VAL  49          2HG1      VAL  49   8.305  -3.219   5.238
  409   HG13  VAL  49          3HG1      VAL  49   9.573  -3.180   3.991
  410   HG21  VAL  49          1HG2      VAL  49   7.620  -5.505   5.832
  411   HG22  VAL  49          2HG2      VAL  49   8.756  -6.864   5.664
  412   HG23  VAL  49          3HG2      VAL  49   8.864  -5.784   7.075
  413    H    LYS  50           H        LYS  50   8.798  -5.697   2.286
  414    HA   LYS  50           HA       LYS  50  10.659  -4.144   0.625
  415    HB2  LYS  50          1HB       LYS  50  10.027  -6.565  -0.025
  416    HB3  LYS  50          2HB       LYS  50   8.453  -5.911  -0.433
  417    HG2  LYS  50          1HG       LYS  50   9.254  -5.130  -2.404
  418    HG3  LYS  50          2HG       LYS  50  10.439  -4.151  -1.561
  419    HD2  LYS  50          1HD       LYS  50  12.004  -5.484  -2.544
  420    HD3  LYS  50          2HD       LYS  50  11.561  -6.681  -1.341
  421    HE2  LYS  50          1HE       LYS  50  11.242  -7.938  -3.275
  422    HE3  LYS  50          2HE       LYS  50   9.628  -7.279  -3.087
  423    HZ1  LYS  50          1HZ       LYS  50  10.809  -5.359  -4.472
  424    HZ2  LYS  50          2HZ       LYS  50  11.621  -6.653  -5.048
  425    HZ3  LYS  50          3HZ       LYS  50   9.993  -6.594  -5.162
  426    H    TYR  51           H        TYR  51   9.628  -2.577  -0.881
  427    HA   TYR  51           HA       TYR  51   6.993  -1.694   0.035
  428    HB2  TYR  51          1HB       TYR  51   9.708  -0.310  -0.002
  429    HB3  TYR  51          2HB       TYR  51   8.300   0.673  -0.354
  430    HD1  TYR  51          1HD       TYR  51   7.028   1.592   1.393
  431    HD2  TYR  51          2HD       TYR  51   9.686  -1.657   2.221
  432    HE1  TYR  51          1HE       TYR  51   6.611   1.877   3.885
  433    HE2  TYR  51          2HE       TYR  51   9.258  -1.361   4.711
  434    HH   TYR  51           HH       TYR  51   8.424   0.969   6.128
  435    H    VAL  52           H        VAL  52   5.652  -1.271  -1.653
  436    HA   VAL  52           HA       VAL  52   6.924  -0.593  -4.209
  437    HB   VAL  52           HB       VAL  52   4.452  -2.281  -4.070
  438   HG11  VAL  52          1HG1      VAL  52   6.721  -2.092  -6.082
  439   HG12  VAL  52          2HG1      VAL  52   5.242  -3.068  -6.252
  440   HG13  VAL  52          3HG1      VAL  52   5.138  -1.291  -6.219
  441   HG21  VAL  52          1HG2      VAL  52   5.681  -3.760  -2.830
  442   HG22  VAL  52          2HG2      VAL  52   6.257  -4.212  -4.452
  443   HG23  VAL  52          3HG2      VAL  52   7.240  -3.142  -3.425
  444    H    CYS  53           H        CYS  53   6.379   1.490  -4.604
  445    HA   CYS  53           HA       CYS  53   3.735   2.352  -3.710
  446    HB2  CYS  53          1HB       CYS  53   5.928   4.199  -4.654
  447    HB3  CYS  53          2HB       CYS  53   4.544   4.564  -3.642
  448    H    CYS  54           H        CYS  54   2.365   3.525  -5.245
  449    HA   CYS  54           HA       CYS  54   3.235   3.437  -8.011
  450    HB2  CYS  54          1HB       CYS  54   0.918   2.468  -8.607
  451    HB3  CYS  54          2HB       CYS  54   2.162   1.369  -8.049
  452    H    ASN  55           H        ASN  55   1.869   4.888  -9.372
  453    HA   ASN  55           HA       ASN  55   0.662   6.925  -7.689
  454    HB2  ASN  55          1HB       ASN  55   1.070   8.470  -9.557
  455    HB3  ASN  55          2HB       ASN  55   2.551   7.595  -9.232
  456   HD21  ASN  55          1HD2      ASN  55   3.571   7.149 -11.019
  457   HD22  ASN  55          2HD2      ASN  55   2.891   6.579 -12.507
  458    H    THR  56           H        THR  56  -0.489   4.250  -8.817
  459    HA   THR  56           HA       THR  56  -2.645   5.378 -10.473
  460    HB   THR  56           HB       THR  56  -2.791   2.577 -10.541
  461    HG1  THR  56          1HG       THR  56  -0.733   2.470  -9.438
  462   HG21  THR  56          1HG2      THR  56  -1.690   2.757 -12.758
  463   HG22  THR  56          2HG2      THR  56  -2.831   4.107 -12.546
  464   HG23  THR  56          3HG2      THR  56  -1.083   4.376 -12.340
  465    H    ASP  57           H        ASP  57  -4.816   4.168 -10.138
  466    HA   ASP  57           HA       ASP  57  -5.368   4.486  -7.340
  467    HB2  ASP  57          1HB       ASP  57  -6.981   4.265  -9.880
  468    HB3  ASP  57          2HB       ASP  57  -7.780   3.861  -8.374
  469    H    ARG  58           H        ARG  58  -6.267   2.768  -6.012
  470    HA   ARG  58           HA       ARG  58  -6.233   0.719  -5.270
  471    HB2  ARG  58          1HB       ARG  58  -7.772   0.377  -7.883
  472    HB3  ARG  58          2HB       ARG  58  -7.669  -0.906  -6.695
  473    HG2  ARG  58          1HG       ARG  58  -9.480   0.044  -5.699
  474    HG3  ARG  58          2HG       ARG  58  -8.388   1.295  -5.134
  475    HD2  ARG  58          1HD       ARG  58  -9.304   2.854  -6.523
  476    HD3  ARG  58          2HD       ARG  58  -9.186   1.794  -7.914
  477    HE   ARG  58           HE       ARG  58 -11.307   0.834  -6.260
  478   HH11  ARG  58          1HH1      ARG  58 -13.885   2.590  -7.824
  479   HH12  ARG  58          2HH1      ARG  58 -13.490   1.267  -6.779
  480   HH21  ARG  58          1HH2      ARG  58 -12.200   3.924  -8.698
  481   HH22  ARG  58          2HH2      ARG  58 -10.544   3.596  -8.305
  482    H    CYS  59           H        CYS  59  -3.877   1.457  -6.960
  483    HA   CYS  59           HA       CYS  59  -3.250  -0.768  -8.591
  484    HB2  CYS  59          1HB       CYS  59  -0.916   0.247  -8.514
  485    HB3  CYS  59          2HB       CYS  59  -2.188   1.254  -9.175
  486    H    ASN  60           H        ASN  60  -3.108   0.019  -5.165
  487    HA   ASN  60           HA       ASN  60  -1.272  -2.177  -4.707
  488    HB2  ASN  60          1HB       ASN  60  -0.962  -1.266  -2.494
  489    HB3  ASN  60          2HB       ASN  60  -1.000   0.123  -3.563
  490   HD21  ASN  60          1HD2      ASN  60  -1.809  -0.591  -0.662
  491   HD22  ASN  60          2HD2      ASN  60  -3.353   0.164  -0.450
  492    H1   HOH 101          1H        HOH  61   4.725 -11.400   2.661
  493    H2   HOH 101          2H        HOH  61   3.886 -10.166   2.916
  Start of MODEL    6
    1    H1   LEU   1           H        LEU   1  -5.453  10.566  -4.448
    2    HA   LEU   1           HA       LEU   1  -6.834   8.687  -5.926
    3    HB2  LEU   1          1HB       LEU   1  -4.184   9.305  -5.300
    4    HB3  LEU   1          2HB       LEU   1  -4.387   7.650  -4.763
    5    HG   LEU   1           HG       LEU   1  -5.167   6.999  -7.004
    6   HD11  LEU   1          1HD1      LEU   1  -6.225   8.944  -7.833
    7   HD12  LEU   1          2HD1      LEU   1  -4.755   9.926  -7.636
    8   HD13  LEU   1          3HD1      LEU   1  -4.818   8.659  -8.886
    9   HD21  LEU   1          1HD2      LEU   1  -2.997   6.490  -7.118
   10   HD22  LEU   1          2HD2      LEU   1  -2.841   7.947  -8.129
   11   HD23  LEU   1          3HD2      LEU   1  -2.498   8.033  -6.385
   12    H    LYS   2           H        LYS   2  -6.701   6.197  -5.393
   13    HA   LYS   2           HA       LYS   2  -7.556   5.838  -2.609
   14    HB2  LYS   2          1HB       LYS   2  -8.868   4.663  -5.076
   15    HB3  LYS   2          2HB       LYS   2  -9.281   4.264  -3.421
   16    HG2  LYS   2          1HG       LYS   2  -9.256   7.164  -3.763
   17    HG3  LYS   2          2HG       LYS   2 -10.278   6.431  -4.983
   18    HD2  LYS   2          1HD       LYS   2 -11.306   5.043  -3.020
   19    HD3  LYS   2          2HD       LYS   2 -10.512   6.188  -1.959
   20    HE2  LYS   2          1HE       LYS   2 -12.602   7.213  -2.228
   21    HE3  LYS   2          2HE       LYS   2 -11.678   8.019  -3.480
   22    HZ1  LYS   2          1HZ       LYS   2 -13.099   7.214  -4.930
   23    HZ2  LYS   2          2HZ       LYS   2 -12.676   5.681  -4.560
   24    HZ3  LYS   2          3HZ       LYS   2 -13.914   6.400  -3.774
   25    H    CYS   3           H        CYS   3  -6.995   3.828  -1.644
   26    HA   CYS   3           HA       CYS   3  -5.278   2.135  -3.288
   27    HB2  CYS   3          1HB       CYS   3  -4.482   2.835  -0.462
   28    HB3  CYS   3          2HB       CYS   3  -3.521   2.075  -1.715
   29    H    ASN   4           H        ASN   4  -5.254  -0.109  -2.539
   30    HA   ASN   4           HA       ASN   4  -7.661  -0.725  -1.104
   31    HB2  ASN   4          1HB       ASN   4  -5.629  -2.744  -2.150
   32    HB3  ASN   4          2HB       ASN   4  -7.352  -2.974  -1.922
   33   HD21  ASN   4          1HD2      ASN   4  -6.155  -3.629  -4.273
   34   HD22  ASN   4          2HD2      ASN   4  -6.649  -2.564  -5.548
   35    H    LYS   5           H        LYS   5  -7.517  -2.521   0.650
   36    HA   LYS   5           HA       LYS   5  -5.251  -1.913   2.373
   37    HB2  LYS   5          1HB       LYS   5  -7.833  -3.383   2.983
   38    HB3  LYS   5          2HB       LYS   5  -6.620  -2.887   4.146
   39    HG2  LYS   5          1HG       LYS   5  -8.325  -1.053   2.399
   40    HG3  LYS   5          2HG       LYS   5  -8.439  -1.246   4.137
   41    HD2  LYS   5          1HD       LYS   5  -6.126  -0.025   2.570
   42    HD3  LYS   5          2HD       LYS   5  -7.196   0.799   3.687
   43    HE2  LYS   5          1HE       LYS   5  -6.275  -1.086   5.388
   44    HE3  LYS   5          2HE       LYS   5  -4.921  -1.088   4.277
   45    HZ1  LYS   5          1HZ       LYS   5  -4.469   1.103   4.732
   46    HZ2  LYS   5          2HZ       LYS   5  -5.964   1.439   5.298
   47    HZ3  LYS   5          3HZ       LYS   5  -4.929   0.555   6.199
   48    H    LEU   6           H        LEU   6  -5.093  -4.216   3.925
   49    HA   LEU   6           HA       LEU   6  -3.305  -5.749   2.603
   50    HB2  LEU   6          1HB       LEU   6  -4.027  -5.653   5.082
   51    HB3  LEU   6          2HB       LEU   6  -5.151  -6.928   4.659
   52    HG   LEU   6           HG       LEU   6  -3.417  -8.453   4.137
   53   HD11  LEU   6          1HD1      LEU   6  -1.934  -7.161   2.816
   54   HD12  LEU   6          2HD1      LEU   6  -1.560  -6.067   4.172
   55   HD13  LEU   6          3HD1      LEU   6  -0.989  -7.754   4.204
   56   HD21  LEU   6          1HD2      LEU   6  -3.814  -7.652   6.623
   57   HD22  LEU   6          2HD2      LEU   6  -2.537  -8.824   6.216
   58   HD23  LEU   6          3HD2      LEU   6  -2.123  -7.111   6.476
   59    H    VAL   7           H        VAL   7  -6.875  -6.290   2.829
   60    HA   VAL   7           HA       VAL   7  -6.566  -8.330   0.746
   61    HB   VAL   7           HB       VAL   7  -9.067  -7.882   2.327
   62   HG11  VAL   7          1HG1      VAL   7  -9.429 -10.224   1.934
   63   HG12  VAL   7          2HG1      VAL   7  -8.951  -9.477   0.390
   64   HG13  VAL   7          3HG1      VAL   7  -7.773 -10.433   1.321
   65   HG21  VAL   7          1HG2      VAL   7  -7.848  -9.841   3.777
   66   HG22  VAL   7          2HG2      VAL   7  -6.465  -8.783   3.408
   67   HG23  VAL   7          3HG2      VAL   7  -7.891  -8.123   4.241
   68    H    PRO   8           H        PRO   8  -6.557  -7.876  -1.467
   69    HA   PRO   8           HA       PRO   8  -7.775  -5.078  -1.972
   70   1HB   PRO   8          1HB       PRO   8  -8.158  -7.439  -3.783
   71   2HB   PRO   8          2HB       PRO   8  -7.346  -5.951  -4.109
   72   1HG   PRO   8          1HG       PRO   8  -5.874  -8.127  -3.544
   73   2HG   PRO   8          2HG       PRO   8  -5.430  -6.621  -2.802
   74   1HD   PRO   8          1HD       PRO   8  -7.001  -8.875  -1.533
   75   2HD   PRO   8          2HD       PRO   8  -5.668  -7.977  -0.869
   76    H    ILE   9           H        ILE   9 -10.002  -7.265  -0.649
   77    HA   ILE   9           HA       ILE   9 -12.190  -6.494  -2.368
   78    HB   ILE   9           HB       ILE   9 -13.496  -8.001  -1.089
   79   HG12  ILE   9          1HG1      ILE   9 -11.456  -8.842   0.853
   80   HG13  ILE   9          2HG1      ILE   9 -12.002  -7.194   1.089
   81   HG21  ILE   9          1HG2      ILE   9 -10.833  -9.396  -1.191
   82   HG22  ILE   9          2HG2      ILE   9 -12.453 -10.008  -1.610
   83   HG23  ILE   9          3HG2      ILE   9 -11.636  -8.844  -2.681
   84   HD11  ILE   9          1HD1      ILE   9 -14.005  -7.887   1.892
   85   HD12  ILE   9          2HD1      ILE   9 -14.267  -8.946   0.486
   86   HD13  ILE   9          3HD1      ILE   9 -13.345  -9.541   1.888
   87    H    ALA  10           H        ALA  10 -10.417  -4.774  -0.269
   88    HA   ALA  10           HA       ALA  10 -12.642  -3.057   0.358
   89    HB1  ALA  10          1HB       ALA  10 -11.999  -4.967   2.244
   90    HB2  ALA  10          2HB       ALA  10 -11.011  -3.582   2.762
   91    HB3  ALA  10          3HB       ALA  10 -12.774  -3.403   2.592
   92    H    TYR  11           H        TYR  11 -11.981  -0.952   0.177
   93    HA   TYR  11           HA       TYR  11  -9.163  -0.358   0.615
   94    HB2  TYR  11          1HB       TYR  11  -9.008   0.629  -1.629
   95    HB3  TYR  11          2HB       TYR  11  -9.696  -0.967  -1.854
   96    HD1  TYR  11          1HD       TYR  11 -12.391  -1.006  -1.715
   97    HD2  TYR  11          2HD       TYR  11 -10.012   2.401  -2.738
   98    HE1  TYR  11          1HE       TYR  11 -14.377   0.029  -2.920
   99    HE2  TYR  11          2HE       TYR  11 -12.007   3.423  -3.940
  100    HH   TYR  11           HH       TYR  11 -14.575   3.182  -3.689
  101    H    LYS  12           H        LYS  12  -8.766   2.048   0.650
  102    HA   LYS  12           HA       LYS  12 -11.212   3.551   1.206
  103    HB2  LYS  12          1HB       LYS  12  -8.813   3.382   3.053
  104    HB3  LYS  12          2HB       LYS  12 -10.132   4.523   3.224
  105    HG2  LYS  12          1HG       LYS  12 -11.709   2.456   3.225
  106    HG3  LYS  12          2HG       LYS  12 -10.265   1.488   3.433
  107    HD2  LYS  12          1HD       LYS  12  -9.741   3.154   5.424
  108    HD3  LYS  12          2HD       LYS  12 -11.447   3.544   5.324
  109    HE2  LYS  12          1HE       LYS  12 -11.815   0.935   5.393
  110    HE3  LYS  12          2HE       LYS  12 -10.165   0.868   5.980
  111    HZ1  LYS  12          1HZ       LYS  12 -10.798   2.372   7.746
  112    HZ2  LYS  12          2HZ       LYS  12 -12.336   2.429   7.199
  113    HZ3  LYS  12          3HZ       LYS  12 -11.726   1.029   7.778
  114    H    THR  13           H        THR  13 -10.076   5.990   1.872
  115    HA   THR  13           HA       THR  13  -8.799   6.664  -0.667
  116    HB   THR  13           HB       THR  13  -9.896   8.698  -0.417
  117    HG1  THR  13          1HG       THR  13  -9.015   9.640   1.394
  118   HG21  THR  13          1HG2      THR  13 -11.409   7.428   1.892
  119   HG22  THR  13          2HG2      THR  13 -12.035   8.467   0.590
  120   HG23  THR  13          3HG2      THR  13 -11.599   6.776   0.245
  121    H    CYS  14           H        CYS  14  -6.840   7.765  -0.857
  122    HA   CYS  14           HA       CYS  14  -4.954   7.071   1.106
  123    HB2  CYS  14          1HB       CYS  14  -4.656   9.017  -1.206
  124    HB3  CYS  14          2HB       CYS  14  -3.351   8.286  -0.293
  125    H    PRO  15           H        PRO  15  -4.756   7.667   3.332
  126    HA   PRO  15           HA       PRO  15  -6.500  10.259   3.706
  127   1HB   PRO  15          1HB       PRO  15  -4.700   9.909   5.794
  128   2HB   PRO  15          2HB       PRO  15  -6.124   8.961   5.549
  129   1HG   PRO  15          1HG       PRO  15  -3.243   8.343   4.769
  130   2HG   PRO  15          2HG       PRO  15  -4.444   7.285   5.442
  131   1HD   PRO  15          1HD       PRO  15  -3.940   7.212   2.783
  132   2HD   PRO  15          2HD       PRO  15  -5.538   6.920   3.402
  133    H    GLU  16           H        GLU  16  -5.449  11.973   5.481
  134    HA   GLU  16           HA       GLU  16  -4.603  14.045   3.907
  135    HB2  GLU  16          1HB       GLU  16  -4.283  13.615   6.908
  136    HB3  GLU  16          2HB       GLU  16  -4.006  15.152   6.112
  137    HG2  GLU  16          1HG       GLU  16  -6.602  13.878   5.412
  138    HG3  GLU  16          2HG       GLU  16  -6.449  14.295   7.107
  139    H    GLY  17           H        GLY  17  -2.654  14.645   3.042
  140    HA2  GLY  17          1HA       GLY  17  -0.373  14.935   2.996
  141    HA3  GLY  17          2HA       GLY  17  -0.183  13.836   4.348
  142    H    LYS  18           H        LYS  18  -1.830  11.651   3.245
  143    HA   LYS  18           HA       LYS  18   0.164  10.620   1.402
  144    HB2  LYS  18          1HB       LYS  18  -2.106   9.268   2.892
  145    HB3  LYS  18          2HB       LYS  18  -0.966   8.447   1.845
  146    HG2  LYS  18          1HG       LYS  18   0.024   8.161   3.960
  147    HG3  LYS  18          2HG       LYS  18   0.886   9.557   3.343
  148    HD2  LYS  18          1HD       LYS  18  -0.129  11.024   4.824
  149    HD3  LYS  18          2HD       LYS  18  -1.649  10.151   4.825
  150    HE2  LYS  18          1HE       LYS  18   0.843   8.970   6.117
  151    HE3  LYS  18          2HE       LYS  18  -0.194  10.079   6.994
  152    HZ1  LYS  18          1HZ       LYS  18  -1.825   8.566   7.102
  153    HZ2  LYS  18          2HZ       LYS  18  -1.518   7.905   5.641
  154    HZ3  LYS  18          3HZ       LYS  18  -0.604   7.495   6.931
  155    H    ASN  19           H        ASN  19  -0.272   9.945  -0.713
  156    HA   ASN  19           HA       ASN  19  -2.982  10.377  -1.632
  157    HB2  ASN  19          1HB       ASN  19  -1.845  12.493  -2.165
  158    HB3  ASN  19          2HB       ASN  19  -0.469  11.643  -2.838
  159   HD21  ASN  19          1HD2      ASN  19  -0.451  12.102  -4.912
  160   HD22  ASN  19          2HD2      ASN  19  -1.761  11.916  -6.029
  161    H    LEU  20           H        LEU  20   0.413   9.286  -2.224
  162    HA   LEU  20           HA       LEU  20  -0.352   7.617  -4.428
  163    HB2  LEU  20          1HB       LEU  20   2.203   8.112  -2.918
  164    HB3  LEU  20          2HB       LEU  20   2.074   6.835  -4.110
  165    HG   LEU  20           HG       LEU  20   1.098   9.375  -5.159
  166   HD11  LEU  20          1HD1      LEU  20   4.049   9.366  -4.542
  167   HD12  LEU  20          2HD1      LEU  20   3.015  10.705  -5.097
  168   HD13  LEU  20          3HD1      LEU  20   2.863  10.097  -3.431
  169   HD21  LEU  20          1HD2      LEU  20   2.017   8.621  -7.076
  170   HD22  LEU  20          2HD2      LEU  20   3.511   8.070  -6.280
  171   HD23  LEU  20          3HD2      LEU  20   2.039   7.071  -6.200
  172    H    CYS  21           H        CYS  21   0.026   5.233  -4.424
  173    HA   CYS  21           HA       CYS  21  -0.884   4.168  -1.865
  174    HB2  CYS  21          1HB       CYS  21  -1.003   2.875  -4.608
  175    HB3  CYS  21          2HB       CYS  21  -1.709   2.251  -3.130
  176    H    TYR  22           H        TYR  22   0.265   2.420  -0.874
  177    HA   TYR  22           HA       TYR  22   2.765   1.639  -2.196
  178    HB2  TYR  22          1HB       TYR  22   3.948   2.144  -0.128
  179    HB3  TYR  22          2HB       TYR  22   2.902   3.529  -0.378
  180    HD1  TYR  22          1HD       TYR  22   1.588   4.265   1.395
  181    HD2  TYR  22          2HD       TYR  22   2.877   0.187   1.333
  182    HE1  TYR  22          1HE       TYR  22   0.569   3.900   3.696
  183    HE2  TYR  22          2HE       TYR  22   1.853  -0.165   3.634
  184    HH   TYR  22           HH       TYR  22   0.763   0.716   5.268
  185    H    LYS  23           H        LYS  23   3.531  -0.466  -1.649
  186    HA   LYS  23           HA       LYS  23   1.692  -2.028   0.016
  187    HB2  LYS  23          1HB       LYS  23   1.817  -2.192  -2.772
  188    HB3  LYS  23          2HB       LYS  23   2.785  -3.544  -2.222
  189    HG2  LYS  23          1HG       LYS  23   0.871  -4.151  -0.632
  190    HG3  LYS  23          2HG       LYS  23  -0.093  -2.918  -1.421
  191    HD2  LYS  23          1HD       LYS  23   1.252  -5.176  -2.967
  192    HD3  LYS  23          2HD       LYS  23  -0.363  -5.326  -2.305
  193    HE2  LYS  23          1HE       LYS  23  -1.242  -3.618  -3.722
  194    HE3  LYS  23          2HE       LYS  23   0.342  -2.951  -4.061
  195    HZ1  LYS  23          1HZ       LYS  23  -0.600  -4.313  -5.857
  196    HZ2  LYS  23          2HZ       LYS  23   0.864  -4.838  -5.361
  197    HZ3  LYS  23          3HZ       LYS  23  -0.487  -5.637  -4.908
  198    H    MET  24           H        MET  24   2.851  -2.634   1.762
  199    HA   MET  24           HA       MET  24   5.691  -3.057   1.373
  200    HB2  MET  24          1HB       MET  24   3.853  -2.519   3.730
  201    HB3  MET  24          2HB       MET  24   5.398  -3.281   4.042
  202    HG2  MET  24          1HG       MET  24   6.597  -1.368   3.562
  203    HG3  MET  24          2HG       MET  24   5.546  -0.912   2.237
  204    HE1  MET  24          1HE       MET  24   3.824   1.905   3.425
  205    HE2  MET  24          2HE       MET  24   5.599   1.959   3.541
  206    HE3  MET  24          3HE       MET  24   4.820   1.029   2.239
  207    H    PHE  25           H        PHE  25   6.752  -5.024   1.944
  208    HA   PHE  25           HA       PHE  25   4.930  -7.249   2.524
  209    HB2  PHE  25          1HB       PHE  25   7.251  -6.921   0.545
  210    HB3  PHE  25          2HB       PHE  25   6.705  -8.514   1.031
  211    HD1  PHE  25          1HD       PHE  25   5.011  -9.552  -0.166
  212    HD2  PHE  25          2HD       PHE  25   5.416  -5.337  -0.430
  213    HE1  PHE  25          1HE       PHE  25   3.248  -9.494  -1.952
  214    HE2  PHE  25          2HE       PHE  25   3.653  -5.278  -2.215
  215    HZ   PHE  25           HZ       PHE  25   2.590  -7.358  -2.956
  216    H    MET  26           H        MET  26   6.492  -9.309   3.044
  217    HA   MET  26           HA       MET  26   8.555  -8.298   4.839
  218    HB2  MET  26          1HB       MET  26   6.431 -10.454   5.338
  219    HB3  MET  26          2HB       MET  26   7.820 -10.236   6.385
  220    HG2  MET  26          1HG       MET  26   7.116  -7.869   6.824
  221    HG3  MET  26          2HG       MET  26   5.728  -8.088   5.777
  222    HE1  MET  26          1HE       MET  26   5.955  -7.923   9.699
  223    HE2  MET  26          2HE       MET  26   5.549  -6.965   8.255
  224    HE3  MET  26          3HE       MET  26   4.260  -7.780   9.175
  225    H    MET  27           H        MET  27  10.194 -10.024   5.463
  226    HA   MET  27           HA       MET  27  11.189 -11.200   3.174
  227    HB2  MET  27          1HB       MET  27  11.720 -11.375   6.151
  228    HB3  MET  27          2HB       MET  27  12.492 -12.571   5.129
  229    HG2  MET  27          1HG       MET  27  12.686  -9.558   4.650
  230    HG3  MET  27          2HG       MET  27  13.884 -10.478   5.536
  231    HE1  MET  27          1HE       MET  27  14.973 -13.140   2.998
  232    HE2  MET  27          2HE       MET  27  15.915 -12.019   4.007
  233    HE3  MET  27          3HE       MET  27  14.470 -12.814   4.673
  234    H    SER  28           H        SER  28   8.577 -12.193   5.153
  235    HA   SER  28           HA       SER  28   8.952 -14.949   5.109
  236    HB2  SER  28          1HB       SER  28   7.344 -14.195   6.647
  237    HB3  SER  28          2HB       SER  28   6.597 -13.105   5.496
  238    HG   SER  28           HG       SER  28   6.341 -15.968   5.679
  239    H    ASP  29           H        ASP  29   7.126 -12.680   2.947
  240    HA   ASP  29           HA       ASP  29   7.642 -14.366   0.740
  241    HB2  ASP  29          1HB       ASP  29   4.986 -14.351   0.280
  242    HB3  ASP  29          2HB       ASP  29   5.777 -15.673   1.115
  243    H    LEU  30           H        LEU  30   8.366 -12.563  -0.454
  244    HA   LEU  30           HA       LEU  30   7.083 -10.036  -0.241
  245    HB2  LEU  30          1HB       LEU  30   9.162 -11.071  -2.174
  246    HB3  LEU  30          2HB       LEU  30   8.660  -9.398  -2.031
  247    HG   LEU  30           HG       LEU  30   9.868 -10.959   0.265
  248   HD11  LEU  30          1HD1      LEU  30  11.286  -9.146  -1.707
  249   HD12  LEU  30          2HD1      LEU  30  11.997  -9.869  -0.244
  250   HD13  LEU  30          3HD1      LEU  30  11.465 -10.912  -1.585
  251   HD21  LEU  30          1HD2      LEU  30   8.784  -8.262  -0.060
  252   HD22  LEU  30          2HD2      LEU  30   9.135  -9.193   1.415
  253   HD23  LEU  30          3HD2      LEU  30  10.434  -8.281   0.608
  254    H    THR  31           H        THR  31   6.356 -12.951  -1.893
  255    HA   THR  31           HA       THR  31   5.216 -11.773  -4.235
  256    HB   THR  31           HB       THR  31   5.794 -14.408  -3.112
  257    HG1  THR  31          1HG       THR  31   4.884 -13.339  -5.691
  258   HG21  THR  31          1HG2      THR  31   3.839 -15.471  -4.461
  259   HG22  THR  31          2HG2      THR  31   3.438 -14.852  -2.841
  260   HG23  THR  31          3HG2      THR  31   3.022 -13.898  -4.286
  261    H    ILE  32           H        ILE  32   4.240 -12.065  -0.920
  262    HA   ILE  32           HA       ILE  32   1.585 -11.140  -1.730
  263    HB   ILE  32           HB       ILE  32   1.786 -12.914   0.644
  264   HG12  ILE  32          1HG1      ILE  32   1.788 -13.964  -2.200
  265   HG13  ILE  32          2HG1      ILE  32   3.070 -14.161  -1.022
  266   HG21  ILE  32          1HG2      ILE  32  -0.344 -12.067   0.396
  267   HG22  ILE  32          2HG2      ILE  32  -0.278 -12.115  -1.382
  268   HG23  ILE  32          3HG2      ILE  32  -0.472 -13.624  -0.457
  269   HD11  ILE  32          1HD1      ILE  32   0.553 -15.654  -1.303
  270   HD12  ILE  32          2HD1      ILE  32   2.033 -16.089  -0.414
  271   HD13  ILE  32          3HD1      ILE  32   0.801 -15.061   0.356
  272    H    PRO  33           H        PRO  33   0.937  -9.035  -1.250
  273    HA   PRO  33           HA       PRO  33   2.929  -7.928   0.967
  274   1HB   PRO  33          1HB       PRO  33   0.595  -6.458   0.842
  275   2HB   PRO  33          2HB       PRO  33   1.838  -6.409  -0.356
  276   1HG   PRO  33          1HG       PRO  33  -0.774  -7.978  -0.359
  277   2HG   PRO  33          2HG       PRO  33  -0.014  -7.118  -1.661
  278   1HD   PRO  33          1HD       PRO  33   0.242  -9.832  -1.451
  279   2HD   PRO  33          2HD       PRO  33   1.470  -8.840  -2.179
  280    H    VAL  34           H        VAL  34   2.588  -6.884   3.031
  281    HA   VAL  34           HA       VAL  34   0.852  -8.501   4.767
  282    HB   VAL  34           HB       VAL  34   2.423  -8.064   6.542
  283   HG11  VAL  34          1HG1      VAL  34   4.408  -8.873   4.528
  284   HG12  VAL  34          2HG1      VAL  34   3.772  -9.758   5.936
  285   HG13  VAL  34          3HG1      VAL  34   2.861  -9.744   4.405
  286   HG21  VAL  34          1HG2      VAL  34   4.379  -6.755   6.357
  287   HG22  VAL  34          2HG2      VAL  34   4.251  -6.659   4.585
  288   HG23  VAL  34          3HG2      VAL  34   3.095  -5.777   5.610
  289    H    LYS  35           H        LYS  35   1.966  -5.250   3.782
  290    HA   LYS  35           HA       LYS  35  -0.323  -4.171   5.267
  291    HB2  LYS  35          1HB       LYS  35   2.333  -2.746   4.994
  292    HB3  LYS  35          2HB       LYS  35   0.947  -2.261   5.949
  293    HG2  LYS  35          1HG       LYS  35   1.665  -4.957   6.714
  294    HG3  LYS  35          2HG       LYS  35   3.121  -3.984   6.719
  295    HD2  LYS  35          1HD       LYS  35   2.254  -3.666   8.900
  296    HD3  LYS  35          2HD       LYS  35   1.740  -2.221   8.050
  297    HE2  LYS  35          1HE       LYS  35  -0.503  -3.177   7.675
  298    HE3  LYS  35          2HE       LYS  35  -0.006  -4.709   8.365
  299    HZ1  LYS  35          1HZ       LYS  35  -1.201  -3.149   9.875
  300    HZ2  LYS  35          2HZ       LYS  35   0.208  -3.734  10.460
  301    HZ3  LYS  35          3HZ       LYS  35   0.133  -2.207   9.885
  302    H    ARG  36           H        ARG  36  -1.491  -2.522   4.209
  303    HA   ARG  36           HA       ARG  36  -0.500  -1.763   1.611
  304    HB2  ARG  36          1HB       ARG  36  -3.068  -3.293   2.144
  305    HB3  ARG  36          2HB       ARG  36  -3.002  -2.173   0.797
  306    HG2  ARG  36          1HG       ARG  36  -0.655  -3.521   0.385
  307    HG3  ARG  36          2HG       ARG  36  -1.583  -4.784   1.169
  308    HD2  ARG  36          1HD       ARG  36  -3.469  -3.865  -0.592
  309    HD3  ARG  36          2HD       ARG  36  -2.017  -3.484  -1.497
  310    HE   ARG  36           HE       ARG  36  -1.746  -6.142  -0.492
  311   HH11  ARG  36          1HH1      ARG  36  -3.064  -7.785  -3.273
  312   HH12  ARG  36          2HH1      ARG  36  -2.113  -7.953  -1.835
  313   HH21  ARG  36          1HH2      ARG  36  -3.965  -5.722  -3.836
  314   HH22  ARG  36          2HH2      ARG  36  -3.686  -4.349  -2.817
  315    H    GLY  37           H        GLY  37  -0.762   0.443   1.405
  316    HA2  GLY  37          1HA       GLY  37  -3.160   1.765   2.232
  317    HA3  GLY  37          2HA       GLY  37  -1.830   2.075   3.331
  318    H    CYS  38           H        CYS  38  -2.119   4.366   2.544
  319    HA   CYS  38           HA       CYS  38  -0.758   4.715  -0.028
  320    HB2  CYS  38          1HB       CYS  38  -2.864   6.454   1.289
  321    HB3  CYS  38          2HB       CYS  38  -1.907   6.965  -0.086
  322    H    ILE  39           H        ILE  39   0.655   6.732  -0.085
  323    HA   ILE  39           HA       ILE  39   1.424   7.781   2.489
  324    HB   ILE  39           HB       ILE  39   2.667   5.643   2.284
  325   HG12  ILE  39          1HG1      ILE  39   4.800   7.691   2.127
  326   HG13  ILE  39          2HG1      ILE  39   3.497   8.056   3.242
  327   HG21  ILE  39          1HG2      ILE  39   2.898   6.055  -0.314
  328   HG22  ILE  39          2HG2      ILE  39   4.414   6.847   0.179
  329   HG23  ILE  39          3HG2      ILE  39   4.123   5.141   0.595
  330   HD11  ILE  39          1HD1      ILE  39   5.307   5.611   3.222
  331   HD12  ILE  39          2HD1      ILE  39   5.081   6.806   4.521
  332   HD13  ILE  39          3HD1      ILE  39   3.784   5.647   4.143
  333    H    ASP  40           H        ASP  40   3.030   9.595   2.215
  334    HA   ASP  40           HA       ASP  40   2.244  11.062  -0.097
  335    HB2  ASP  40          1HB       ASP  40   3.417  12.929   0.962
  336    HB3  ASP  40          2HB       ASP  40   2.449  12.104   2.169
  337    H    VAL  41           H        VAL  41   5.235   9.636   1.365
  338    HA   VAL  41           HA       VAL  41   6.536   9.942  -1.250
  339    HB   VAL  41           HB       VAL  41   7.641  10.459   1.509
  340   HG11  VAL  41          1HG1      VAL  41   9.002   9.250  -0.686
  341   HG12  VAL  41          2HG1      VAL  41   9.609  10.915  -0.517
  342   HG13  VAL  41          3HG1      VAL  41   9.671   9.799   0.870
  343   HG21  VAL  41          1HG2      VAL  41   8.293  12.633   0.502
  344   HG22  VAL  41          2HG2      VAL  41   7.472  12.156  -1.004
  345   HG23  VAL  41          3HG2      VAL  41   6.533  12.368   0.492
  346    H    CYS  42           H        CYS  42   7.607   8.125  -2.012
  347    HA   CYS  42           HA       CYS  42   6.853   5.676  -0.904
  348    HB2  CYS  42          1HB       CYS  42   7.431   6.170  -3.330
  349    HB3  CYS  42          2HB       CYS  42   9.121   6.122  -2.864
  350    H    PRO  43           H        PRO  43   7.288   4.518   1.068
  351    HA   PRO  43           HA       PRO  43  10.240   5.226   2.043
  352   1HB   PRO  43          1HB       PRO  43   8.940   2.570   2.362
  353   2HB   PRO  43          2HB       PRO  43   9.387   3.714   3.577
  354   1HG   PRO  43          1HG       PRO  43   6.784   3.440   2.911
  355   2HG   PRO  43          2HG       PRO  43   7.418   5.033   3.172
  356   1HD   PRO  43          1HD       PRO  43   7.037   3.669   0.488
  357   2HD   PRO  43          2HD       PRO  43   6.489   5.245   0.978
  358    H    LYS  44           H        LYS  44  12.194   4.039   2.298
  359    HA   LYS  44           HA       LYS  44  13.141   2.969  -0.171
  360    HB2  LYS  44          1HB       LYS  44  14.494   3.130   2.539
  361    HB3  LYS  44          2HB       LYS  44  15.278   2.798   1.006
  362    HG2  LYS  44          1HG       LYS  44  13.727   5.191   0.651
  363    HG3  LYS  44          2HG       LYS  44  14.591   5.363   2.167
  364    HD2  LYS  44          1HD       LYS  44  16.632   5.509   1.134
  365    HD3  LYS  44          2HD       LYS  44  16.265   4.222   0.004
  366    HE2  LYS  44          1HE       LYS  44  15.689   5.698  -1.631
  367    HE3  LYS  44          2HE       LYS  44  14.611   6.571  -0.560
  368    HZ1  LYS  44          1HZ       LYS  44  16.250   7.989   0.046
  369    HZ2  LYS  44          2HZ       LYS  44  17.466   6.924  -0.196
  370    HZ3  LYS  44          3HZ       LYS  44  16.758   7.661  -1.470
  371    H    ASN  45           H        ASN  45  14.172   0.810  -0.380
  372    HA   ASN  45           HA       ASN  45  12.413  -1.125   0.770
  373    HB2  ASN  45          1HB       ASN  45  14.702  -1.269  -1.249
  374    HB3  ASN  45          2HB       ASN  45  13.885  -2.711  -0.683
  375   HD21  ASN  45          1HD2      ASN  45  13.740   0.099  -2.657
  376   HD22  ASN  45          2HD2      ASN  45  12.214  -0.187  -3.425
  377    H    SER  46           H        SER  46  13.254  -3.064   1.956
  378    HA   SER  46           HA       SER  46  15.918  -2.657   3.045
  379    HB2  SER  46          1HB       SER  46  15.031  -3.401   5.291
  380    HB3  SER  46          2HB       SER  46  14.454  -1.830   4.775
  381    HG   SER  46           HG       SER  46  12.826  -3.445   5.660
  382    H    LEU  47           H        LEU  47  16.628  -4.783   4.280
  383    HA   LEU  47           HA       LEU  47  16.052  -6.961   2.467
  384    HB2  LEU  47          1HB       LEU  47  17.974  -6.928   4.788
  385    HB3  LEU  47          2HB       LEU  47  17.953  -8.024   3.419
  386    HG   LEU  47           HG       LEU  47  18.198  -5.398   2.358
  387   HD11  LEU  47          1HD1      LEU  47  19.879  -4.319   3.488
  388   HD12  LEU  47          2HD1      LEU  47  18.962  -5.022   4.842
  389   HD13  LEU  47          3HD1      LEU  47  20.457  -5.805   4.280
  390   HD21  LEU  47          1HD2      LEU  47  19.293  -6.828   1.031
  391   HD22  LEU  47          2HD2      LEU  47  20.679  -6.528   2.105
  392   HD23  LEU  47          3HD2      LEU  47  19.647  -7.953   2.362
  393    H    LEU  48           H        LEU  48  14.244  -5.744   4.784
  394    HA   LEU  48           HA       LEU  48  13.633  -8.378   5.934
  395    HB2  LEU  48          1HB       LEU  48  13.279  -5.687   7.261
  396    HB3  LEU  48          2HB       LEU  48  12.886  -7.251   7.948
  397    HG   LEU  48           HG       LEU  48  15.706  -6.635   7.089
  398   HD11  LEU  48          1HD1      LEU  48  14.224  -5.421   9.330
  399   HD12  LEU  48          2HD1      LEU  48  15.784  -6.158   9.767
  400   HD13  LEU  48          3HD1      LEU  48  15.716  -4.899   8.510
  401   HD21  LEU  48          1HD2      LEU  48  15.122  -8.958   7.624
  402   HD22  LEU  48          2HD2      LEU  48  16.285  -8.281   8.789
  403   HD23  LEU  48          3HD2      LEU  48  14.571  -8.447   9.238
  404    H    VAL  49           H        VAL  49  12.386  -5.170   4.836
  405    HA   VAL  49           HA       VAL  49   9.914  -6.567   4.100
  406    HB   VAL  49           HB       VAL  49   8.577  -4.807   4.910
  407   HG11  VAL  49          1HG1      VAL  49  10.721  -5.498   6.942
  408   HG12  VAL  49          2HG1      VAL  49   9.186  -4.694   7.346
  409   HG13  VAL  49          3HG1      VAL  49   9.177  -6.337   6.661
  410   HG21  VAL  49          1HG2      VAL  49  10.442  -3.064   4.235
  411   HG22  VAL  49          2HG2      VAL  49   9.242  -2.677   5.491
  412   HG23  VAL  49          3HG2      VAL  49  10.881  -3.193   5.954
  413    H    LYS  50           H        LYS  50   8.794  -5.599   2.252
  414    HA   LYS  50           HA       LYS  50  10.671  -4.065   0.595
  415    HB2  LYS  50          1HB       LYS  50  10.047  -6.460  -0.072
  416    HB3  LYS  50          2HB       LYS  50   8.447  -5.841  -0.421
  417    HG2  LYS  50          1HG       LYS  50   9.134  -4.828  -2.347
  418    HG3  LYS  50          2HG       LYS  50  10.552  -4.137  -1.581
  419    HD2  LYS  50          1HD       LYS  50  10.894  -7.017  -1.794
  420    HD3  LYS  50          2HD       LYS  50  10.437  -6.377  -3.361
  421    HE2  LYS  50          1HE       LYS  50  12.301  -4.498  -2.501
  422    HE3  LYS  50          2HE       LYS  50  12.944  -5.978  -1.816
  423    HZ1  LYS  50          1HZ       LYS  50  13.189  -6.898  -3.879
  424    HZ2  LYS  50          2HZ       LYS  50  12.060  -5.956  -4.593
  425    HZ3  LYS  50          3HZ       LYS  50  13.520  -5.333  -4.211
  426    H    TYR  51           H        TYR  51   9.602  -2.555  -0.997
  427    HA   TYR  51           HA       TYR  51   7.022  -1.583  -0.019
  428    HB2  TYR  51          1HB       TYR  51   9.695  -0.118  -0.436
  429    HB3  TYR  51          2HB       TYR  51   8.180   0.758  -0.353
  430    HD1  TYR  51          1HD       TYR  51  10.640  -1.201   1.561
  431    HD2  TYR  51          2HD       TYR  51   6.989   1.019   1.761
  432    HE1  TYR  51          1HE       TYR  51  10.818  -1.122   4.096
  433    HE2  TYR  51          2HE       TYR  51   7.178   1.091   4.295
  434    HH   TYR  51           HH       TYR  51  10.015  -0.270   5.929
  435    H    VAL  52           H        VAL  52   5.628  -1.299  -1.687
  436    HA   VAL  52           HA       VAL  52   6.814  -0.717  -4.309
  437    HB   VAL  52           HB       VAL  52   4.323  -2.355  -4.011
  438   HG11  VAL  52          1HG1      VAL  52   4.618  -2.864  -6.212
  439   HG12  VAL  52          2HG1      VAL  52   5.503  -1.319  -6.191
  440   HG13  VAL  52          3HG1      VAL  52   6.395  -2.857  -6.093
  441   HG21  VAL  52          1HG2      VAL  52   6.090  -4.332  -4.357
  442   HG22  VAL  52          2HG2      VAL  52   7.111  -3.231  -3.401
  443   HG23  VAL  52          3HG2      VAL  52   5.557  -3.801  -2.744
  444    H    CYS  53           H        CYS  53   6.345   1.416  -4.603
  445    HA   CYS  53           HA       CYS  53   3.712   2.320  -3.739
  446    HB2  CYS  53          1HB       CYS  53   6.028   4.035  -4.680
  447    HB3  CYS  53          2HB       CYS  53   4.574   4.562  -3.854
  448    H    CYS  54           H        CYS  54   2.312   3.427  -5.273
  449    HA   CYS  54           HA       CYS  54   3.160   3.330  -8.047
  450    HB2  CYS  54          1HB       CYS  54   0.861   2.329  -8.625
  451    HB3  CYS  54          2HB       CYS  54   2.105   1.244  -8.036
  452    H    ASN  55           H        ASN  55   2.032   4.920  -9.337
  453    HA   ASN  55           HA       ASN  55   0.648   6.852  -7.675
  454    HB2  ASN  55          1HB       ASN  55   1.141   8.459  -9.508
  455    HB3  ASN  55          2HB       ASN  55   2.612   7.657  -8.991
  456   HD21  ASN  55          1HD2      ASN  55   0.398   8.232 -11.530
  457   HD22  ASN  55          2HD2      ASN  55   1.155   7.301 -12.780
  458    H    THR  56           H        THR  56  -0.849   4.542  -8.342
  459    HA   THR  56           HA       THR  56  -2.744   5.640 -10.302
  460    HB   THR  56           HB       THR  56  -2.915   2.854 -10.549
  461    HG1  THR  56          1HG       THR  56  -0.852   2.885  -9.272
  462   HG21  THR  56          1HG2      THR  56  -1.122   4.747 -12.160
  463   HG22  THR  56          2HG2      THR  56  -1.698   3.152 -12.700
  464   HG23  THR  56          3HG2      THR  56  -2.856   4.484 -12.464
  465    H    ASP  57           H        ASP  57  -4.957   4.607 -10.084
  466    HA   ASP  57           HA       ASP  57  -5.601   4.743  -7.315
  467    HB2  ASP  57          1HB       ASP  57  -7.090   4.624  -9.924
  468    HB3  ASP  57          2HB       ASP  57  -7.958   4.084  -8.502
  469    H    ARG  58           H        ARG  58  -6.388   2.977  -6.026
  470    HA   ARG  58           HA       ARG  58  -6.337   0.907  -5.346
  471    HB2  ARG  58          1HB       ARG  58  -7.893   0.501  -7.952
  472    HB3  ARG  58          2HB       ARG  58  -7.877  -0.648  -6.627
  473    HG2  ARG  58          1HG       ARG  58  -9.246   0.651  -5.293
  474    HG3  ARG  58          2HG       ARG  58  -8.551   2.159  -5.854
  475    HD2  ARG  58          1HD       ARG  58 -10.274   2.445  -7.305
  476    HD3  ARG  58          2HD       ARG  58  -9.890   0.930  -8.097
  477    HE   ARG  58           HE       ARG  58 -11.297   0.497  -5.586
  478   HH11  ARG  58          1HH1      ARG  58 -14.356  -0.165  -7.131
  479   HH12  ARG  58          2HH1      ARG  58 -13.450  -0.267  -5.657
  480   HH21  ARG  58          1HH2      ARG  58 -13.383   0.746  -9.032
  481   HH22  ARG  58          2HH2      ARG  58 -11.752   1.324  -8.976
  482    H    CYS  59           H        CYS  59  -3.985   1.645  -6.944
  483    HA   CYS  59           HA       CYS  59  -3.415  -0.476  -8.738
  484    HB2  CYS  59          1HB       CYS  59  -1.078   0.477  -8.648
  485    HB3  CYS  59          2HB       CYS  59  -2.329   1.592  -9.162
  486    H    ASN  60           H        ASN  60  -3.005   0.224  -5.266
  487    HA   ASN  60           HA       ASN  60  -1.312  -2.086  -4.962
  488    HB2  ASN  60          1HB       ASN  60  -0.943  -1.306  -2.709
  489    HB3  ASN  60          2HB       ASN  60  -0.965   0.139  -3.702
  490   HD21  ASN  60          1HD2      ASN  60  -1.748  -0.722  -0.829
  491   HD22  ASN  60          2HD2      ASN  60  -3.269   0.060  -0.549
  492    H1   HOH 101          1H        HOH  61   4.973 -11.329   2.703
  493    H2   HOH 101          2H        HOH  61   3.907 -10.299   3.005
  Start of MODEL    7
    1    H1   LEU   1           H        LEU   1  -5.616  10.513  -4.801
    2    HA   LEU   1           HA       LEU   1  -6.845   8.445  -6.147
    3    HB2  LEU   1          1HB       LEU   1  -4.310   9.308  -5.786
    4    HB3  LEU   1          2HB       LEU   1  -4.281   7.870  -4.786
    5    HG   LEU   1           HG       LEU   1  -5.308   6.695  -6.894
    6   HD11  LEU   1          1HD1      LEU   1  -3.802   8.853  -8.355
    7   HD12  LEU   1          2HD1      LEU   1  -4.942   7.641  -8.985
    8   HD13  LEU   1          3HD1      LEU   1  -5.545   9.010  -8.021
    9   HD21  LEU   1          1HD2      LEU   1  -2.881   6.504  -7.820
   10   HD22  LEU   1          2HD2      LEU   1  -2.451   7.477  -6.392
   11   HD23  LEU   1          3HD2      LEU   1  -3.256   5.903  -6.187
   12    H    LYS   2           H        LYS   2  -6.934   6.098  -5.556
   13    HA   LYS   2           HA       LYS   2  -7.601   5.821  -2.707
   14    HB2  LYS   2          1HB       LYS   2  -8.973   4.599  -5.119
   15    HB3  LYS   2          2HB       LYS   2  -9.293   4.135  -3.459
   16    HG2  LYS   2          1HG       LYS   2 -10.552   5.996  -3.060
   17    HG3  LYS   2          2HG       LYS   2  -9.378   7.060  -3.808
   18    HD2  LYS   2          1HD       LYS   2 -10.715   7.247  -5.626
   19    HD3  LYS   2          2HD       LYS   2 -10.520   5.532  -5.937
   20    HE2  LYS   2          1HE       LYS   2 -12.623   5.051  -5.189
   21    HE3  LYS   2          2HE       LYS   2 -12.416   6.011  -3.738
   22    HZ1  LYS   2          1HZ       LYS   2 -13.707   6.702  -6.141
   23    HZ2  LYS   2          2HZ       LYS   2 -13.749   7.460  -4.694
   24    HZ3  LYS   2          3HZ       LYS   2 -12.572   7.816  -5.769
   25    H    CYS   3           H        CYS   3  -7.032   3.824  -1.687
   26    HA   CYS   3           HA       CYS   3  -5.276   2.132  -3.295
   27    HB2  CYS   3          1HB       CYS   3  -4.537   2.859  -0.461
   28    HB3  CYS   3          2HB       CYS   3  -3.542   2.122  -1.701
   29    H    ASN   4           H        ASN   4  -5.218  -0.105  -2.515
   30    HA   ASN   4           HA       ASN   4  -7.640  -0.750  -1.116
   31    HB2  ASN   4          1HB       ASN   4  -5.554  -2.722  -2.146
   32    HB3  ASN   4          2HB       ASN   4  -7.264  -3.011  -1.894
   33   HD21  ASN   4          1HD2      ASN   4  -5.970  -3.593  -4.263
   34   HD22  ASN   4          2HD2      ASN   4  -6.554  -2.575  -5.537
   35    H    LYS   5           H        LYS   5  -7.476  -2.561   0.635
   36    HA   LYS   5           HA       LYS   5  -5.272  -1.881   2.405
   37    HB2  LYS   5          1HB       LYS   5  -7.839  -3.417   2.908
   38    HB3  LYS   5          2HB       LYS   5  -6.647  -3.004   4.124
   39    HG2  LYS   5          1HG       LYS   5  -8.355  -1.083   2.485
   40    HG3  LYS   5          2HG       LYS   5  -8.403  -1.328   4.219
   41    HD2  LYS   5          1HD       LYS   5  -6.159  -0.049   2.600
   42    HD3  LYS   5          2HD       LYS   5  -7.170   0.723   3.804
   43    HE2  LYS   5          1HE       LYS   5  -6.141  -1.308   5.321
   44    HE3  LYS   5          2HE       LYS   5  -4.824  -1.104   4.182
   45    HZ1  LYS   5          1HZ       LYS   5  -4.434   0.994   4.908
   46    HZ2  LYS   5          2HZ       LYS   5  -5.968   1.274   5.388
   47    HZ3  LYS   5          3HZ       LYS   5  -4.984   0.344   6.302
   48    H    LEU   6           H        LEU   6  -5.082  -4.209   3.944
   49    HA   LEU   6           HA       LEU   6  -3.175  -5.639   2.681
   50    HB2  LEU   6          1HB       LEU   6  -3.966  -5.639   5.116
   51    HB3  LEU   6          2HB       LEU   6  -5.091  -6.893   4.635
   52    HG   LEU   6           HG       LEU   6  -3.413  -8.457   4.252
   53   HD11  LEU   6          1HD1      LEU   6  -0.977  -7.848   4.103
   54   HD12  LEU   6          2HD1      LEU   6  -1.990  -7.282   2.753
   55   HD13  LEU   6          3HD1      LEU   6  -1.480  -6.142   4.022
   56   HD21  LEU   6          1HD2      LEU   6  -2.283  -8.655   6.276
   57   HD22  LEU   6          2HD2      LEU   6  -2.053  -6.899   6.437
   58   HD23  LEU   6          3HD2      LEU   6  -3.666  -7.610   6.679
   59    H    VAL   7           H        VAL   7  -6.728  -6.330   2.710
   60    HA   VAL   7           HA       VAL   7  -6.222  -8.240   0.537
   61    HB   VAL   7           HB       VAL   7  -8.750  -8.145   2.136
   62   HG11  VAL   7          1HG1      VAL   7  -8.630  -9.584   0.153
   63   HG12  VAL   7          2HG1      VAL   7  -7.199 -10.402   0.824
   64   HG13  VAL   7          3HG1      VAL   7  -8.774 -10.551   1.640
   65   HG21  VAL   7          1HG2      VAL   7  -7.741  -9.798   3.724
   66   HG22  VAL   7          2HG2      VAL   7  -6.144  -9.411   3.039
   67   HG23  VAL   7          3HG2      VAL   7  -7.083  -8.151   3.874
   68    H    PRO   8           H        PRO   8  -6.425  -7.811  -1.669
   69    HA   PRO   8           HA       PRO   8  -7.844  -5.079  -2.053
   70   1HB   PRO   8          1HB       PRO   8  -8.172  -7.434  -3.881
   71   2HB   PRO   8          2HB       PRO   8  -7.476  -5.891  -4.224
   72   1HG   PRO   8          1HG       PRO   8  -5.837  -7.975  -3.784
   73   2HG   PRO   8          2HG       PRO   8  -5.451  -6.457  -3.036
   74   1HD   PRO   8          1HD       PRO   8  -6.808  -8.828  -1.730
   75   2HD   PRO   8          2HD       PRO   8  -5.492  -7.865  -1.124
   76    H    ILE   9           H        ILE   9  -9.830  -7.274  -0.511
   77    HA   ILE   9           HA       ILE   9 -12.165  -6.806  -2.138
   78    HB   ILE   9           HB       ILE   9 -11.991  -8.954  -1.202
   79   HG12  ILE   9          1HG1      ILE   9 -14.224  -7.588  -1.020
   80   HG13  ILE   9          2HG1      ILE   9 -14.093  -9.191  -0.324
   81   HG21  ILE   9          1HG2      ILE   9 -10.467  -8.913   0.519
   82   HG22  ILE   9          2HG2      ILE   9 -11.228  -7.514   1.312
   83   HG23  ILE   9          3HG2      ILE   9 -11.988  -9.119   1.417
   84   HD11  ILE   9          1HD1      ILE   9 -14.959  -6.992   1.062
   85   HD12  ILE   9          2HD1      ILE   9 -14.219  -8.415   1.833
   86   HD13  ILE   9          3HD1      ILE   9 -13.228  -6.980   1.477
   87    H    ALA  10           H        ALA  10 -10.361  -4.904  -0.110
   88    HA   ALA  10           HA       ALA  10 -12.604  -3.157   0.339
   89    HB1  ALA  10          1HB       ALA  10 -12.627  -3.171   2.662
   90    HB2  ALA  10          2HB       ALA  10 -12.323  -4.892   2.321
   91    HB3  ALA  10          3HB       ALA  10 -10.974  -3.825   2.780
   92    H    TYR  11           H        TYR  11 -11.945  -1.016   0.282
   93    HA   TYR  11           HA       TYR  11  -9.096  -0.480   0.609
   94    HB2  TYR  11          1HB       TYR  11  -9.030   0.565  -1.600
   95    HB3  TYR  11          2HB       TYR  11  -9.814  -0.981  -1.852
   96    HD1  TYR  11          1HD       TYR  11 -12.488  -0.904  -1.577
   97    HD2  TYR  11          2HD       TYR  11 -10.010   2.448  -2.543
   98    HE1  TYR  11          1HE       TYR  11 -14.484   0.284  -2.612
   99    HE2  TYR  11          2HE       TYR  11 -12.013   3.624  -3.575
  100    HH   TYR  11           HH       TYR  11 -15.001   2.959  -2.964
  101    H    LYS  12           H        LYS  12  -8.685   1.966   0.590
  102    HA   LYS  12           HA       LYS  12 -11.064   3.435   1.447
  103    HB2  LYS  12          1HB       LYS  12  -8.474   3.223   3.010
  104    HB3  LYS  12          2HB       LYS  12  -9.737   4.393   3.338
  105    HG2  LYS  12          1HG       LYS  12 -10.869   1.702   3.104
  106    HG3  LYS  12          2HG       LYS  12  -9.587   1.726   4.298
  107    HD2  LYS  12          1HD       LYS  12 -10.706   3.801   5.315
  108    HD3  LYS  12          2HD       LYS  12 -12.056   3.519   4.231
  109    HE2  LYS  12          1HE       LYS  12 -11.562   0.996   5.423
  110    HE3  LYS  12          2HE       LYS  12 -11.374   2.147   6.733
  111    HZ1  LYS  12          1HZ       LYS  12 -13.571   2.095   6.795
  112    HZ2  LYS  12          2HZ       LYS  12 -13.566   3.023   5.451
  113    HZ3  LYS  12          3HZ       LYS  12 -13.727   1.403   5.324
  114    H    THR  13           H        THR  13 -10.051   5.893   1.931
  115    HA   THR  13           HA       THR  13  -8.888   6.568  -0.668
  116    HB   THR  13           HB       THR  13 -10.139   8.520  -0.483
  117    HG1  THR  13          1HG       THR  13  -9.290   9.574   1.289
  118   HG21  THR  13          1HG2      THR  13 -11.533   7.212   1.881
  119   HG22  THR  13          2HG2      THR  13 -12.248   8.156   0.552
  120   HG23  THR  13          3HG2      THR  13 -11.681   6.494   0.257
  121    H    CYS  14           H        CYS  14  -6.973   7.666  -0.946
  122    HA   CYS  14           HA       CYS  14  -5.058   7.268   1.058
  123    HB2  CYS  14          1HB       CYS  14  -4.859   9.071  -1.376
  124    HB3  CYS  14          2HB       CYS  14  -3.524   8.434  -0.434
  125    H    PRO  15           H        PRO  15  -4.910   8.033   3.230
  126    HA   PRO  15           HA       PRO  15  -6.735  10.604   3.406
  127   1HB   PRO  15          1HB       PRO  15  -4.955  10.450   5.527
  128   2HB   PRO  15          2HB       PRO  15  -6.343   9.439   5.337
  129   1HG   PRO  15          1HG       PRO  15  -3.434   8.861   4.631
  130   2HG   PRO  15          2HG       PRO  15  -4.609   7.818   5.371
  131   1HD   PRO  15          1HD       PRO  15  -4.073   7.571   2.724
  132   2HD   PRO  15          2HD       PRO  15  -5.663   7.259   3.357
  133    H    GLU  16           H        GLU  16  -5.671  12.441   5.081
  134    HA   GLU  16           HA       GLU  16  -4.867  14.414   3.349
  135    HB2  GLU  16          1HB       GLU  16  -4.539  14.223   6.375
  136    HB3  GLU  16          2HB       GLU  16  -4.316  15.698   5.456
  137    HG2  GLU  16          1HG       GLU  16  -6.884  14.191   5.022
  138    HG3  GLU  16          2HG       GLU  16  -6.696  15.018   6.556
  139    H    GLY  17           H        GLY  17  -2.920  14.981   2.456
  140    HA2  GLY  17          1HA       GLY  17  -0.643  15.298   2.399
  141    HA3  GLY  17          2HA       GLY  17  -0.447  14.304   3.829
  142    H    LYS  18           H        LYS  18  -2.111  12.047   2.820
  143    HA   LYS  18           HA       LYS  18  -0.071  10.901   1.092
  144    HB2  LYS  18          1HB       LYS  18  -2.373   9.564   2.544
  145    HB3  LYS  18          2HB       LYS  18  -1.060   8.759   1.707
  146    HG2  LYS  18          1HG       LYS  18   0.583   9.839   3.269
  147    HG3  LYS  18          2HG       LYS  18  -0.742  10.613   4.116
  148    HD2  LYS  18          1HD       LYS  18  -1.642   8.058   4.234
  149    HD3  LYS  18          2HD       LYS  18   0.071   7.714   4.095
  150    HE2  LYS  18          1HE       LYS  18  -0.637   9.859   6.057
  151    HE3  LYS  18          2HE       LYS  18  -1.201   8.254   6.475
  152    HZ1  LYS  18          1HZ       LYS  18   1.532   9.176   6.109
  153    HZ2  LYS  18          2HZ       LYS  18   0.898   8.273   7.314
  154    HZ3  LYS  18          3HZ       LYS  18   1.192   7.598   5.856
  155    H    ASN  19           H        ASN  19  -0.451  10.165  -0.997
  156    HA   ASN  19           HA       ASN  19  -3.165  10.437  -1.961
  157    HB2  ASN  19          1HB       ASN  19  -2.145  12.571  -2.591
  158    HB3  ASN  19          2HB       ASN  19  -0.693  11.774  -3.166
  159   HD21  ASN  19          1HD2      ASN  19  -0.599  12.057  -5.263
  160   HD22  ASN  19          2HD2      ASN  19  -1.856  11.759  -6.417
  161    H    LEU  20           H        LEU  20   0.275   9.454  -2.449
  162    HA   LEU  20           HA       LEU  20  -0.367   7.681  -4.605
  163    HB2  LEU  20          1HB       LEU  20   2.130   8.209  -3.000
  164    HB3  LEU  20          2HB       LEU  20   2.045   6.993  -4.259
  165    HG   LEU  20           HG       LEU  20   1.048   9.403  -5.388
  166   HD11  LEU  20          1HD1      LEU  20   3.784  10.126  -4.620
  167   HD12  LEU  20          2HD1      LEU  20   2.309  11.119  -4.708
  168   HD13  LEU  20          3HD1      LEU  20   2.631  10.131  -3.263
  169   HD21  LEU  20          1HD2      LEU  20   3.042   9.176  -6.846
  170   HD22  LEU  20          2HD2      LEU  20   3.649   7.899  -5.768
  171   HD23  LEU  20          3HD2      LEU  20   2.126   7.662  -6.657
  172    H    CYS  21           H        CYS  21   0.001   5.318  -4.519
  173    HA   CYS  21           HA       CYS  21  -0.913   4.315  -1.936
  174    HB2  CYS  21          1HB       CYS  21  -1.040   2.988  -4.663
  175    HB3  CYS  21          2HB       CYS  21  -1.693   2.341  -3.173
  176    H    TYR  22           H        TYR  22   0.315   2.743  -0.825
  177    HA   TYR  22           HA       TYR  22   2.796   1.889  -2.149
  178    HB2  TYR  22          1HB       TYR  22   3.989   2.549  -0.163
  179    HB3  TYR  22          2HB       TYR  22   2.824   3.846  -0.344
  180    HD1  TYR  22          1HD       TYR  22   1.415   4.402   1.442
  181    HD2  TYR  22          2HD       TYR  22   3.276   0.549   1.376
  182    HE1  TYR  22          1HE       TYR  22   0.540   3.931   3.783
  183    HE2  TYR  22          2HE       TYR  22   2.394   0.092   3.717
  184    HH   TYR  22           HH       TYR  22   1.062   0.775   5.301
  185    H    LYS  23           H        LYS  23   3.625  -0.172  -1.464
  186    HA   LYS  23           HA       LYS  23   1.821  -1.698   0.258
  187    HB2  LYS  23          1HB       LYS  23   1.103  -2.178  -2.012
  188    HB3  LYS  23          2HB       LYS  23   2.747  -2.530  -2.506
  189    HG2  LYS  23          1HG       LYS  23   2.821  -4.405  -0.815
  190    HG3  LYS  23          2HG       LYS  23   1.148  -4.079  -0.412
  191    HD2  LYS  23          1HD       LYS  23   2.057  -4.717  -3.254
  192    HD3  LYS  23          2HD       LYS  23   1.558  -5.958  -2.122
  193    HE2  LYS  23          1HE       LYS  23  -0.687  -5.106  -1.994
  194    HE3  LYS  23          2HE       LYS  23  -0.234  -3.570  -2.706
  195    HZ1  LYS  23          1HZ       LYS  23  -1.043  -4.595  -4.513
  196    HZ2  LYS  23          2HZ       LYS  23   0.479  -5.173  -4.641
  197    HZ3  LYS  23          3HZ       LYS  23  -0.698  -6.106  -3.999
  198    H    MET  24           H        MET  24   2.864  -3.091   1.658
  199    HA   MET  24           HA       MET  24   5.754  -3.244   1.276
  200    HB2  MET  24          1HB       MET  24   4.045  -2.637   3.710
  201    HB3  MET  24          2HB       MET  24   5.562  -3.476   3.962
  202    HG2  MET  24          1HG       MET  24   6.837  -1.626   3.427
  203    HG3  MET  24          2HG       MET  24   5.746  -1.106   2.157
  204    HE1  MET  24          1HE       MET  24   6.012  -1.655   5.989
  205    HE2  MET  24          2HE       MET  24   4.733  -0.594   6.629
  206    HE3  MET  24          3HE       MET  24   4.301  -2.047   5.693
  207    H    PHE  25           H        PHE  25   6.789  -5.238   1.868
  208    HA   PHE  25           HA       PHE  25   4.910  -7.412   2.463
  209    HB2  PHE  25          1HB       PHE  25   7.248  -7.169   0.487
  210    HB3  PHE  25          2HB       PHE  25   6.612  -8.733   0.956
  211    HD1  PHE  25          1HD       PHE  25   4.855  -9.663  -0.245
  212    HD2  PHE  25          2HD       PHE  25   5.526  -5.481  -0.501
  213    HE1  PHE  25          1HE       PHE  25   3.110  -9.494  -2.042
  214    HE2  PHE  25          2HE       PHE  25   3.781  -5.311  -2.297
  215    HZ   PHE  25           HZ       PHE  25   2.595  -7.318  -3.046
  216    H    MET  26           H        MET  26   6.516  -9.521   2.882
  217    HA   MET  26           HA       MET  26   8.573  -8.559   4.706
  218    HB2  MET  26          1HB       MET  26   6.396 -10.662   5.195
  219    HB3  MET  26          2HB       MET  26   7.811 -10.528   6.222
  220    HG2  MET  26          1HG       MET  26   7.202  -8.104   6.665
  221    HG3  MET  26          2HG       MET  26   5.737  -8.335   5.731
  222    HE1  MET  26          1HE       MET  26   4.437  -7.547   8.312
  223    HE2  MET  26          2HE       MET  26   5.176  -8.267   9.761
  224    HE3  MET  26          3HE       MET  26   6.181  -7.352   8.612
  225    H    MET  27           H        MET  27  10.222 -10.270   5.262
  226    HA   MET  27           HA       MET  27  11.183 -11.443   2.976
  227    HB2  MET  27          1HB       MET  27  11.698 -11.694   5.951
  228    HB3  MET  27          2HB       MET  27  12.448 -12.883   4.906
  229    HG2  MET  27          1HG       MET  27  12.691  -9.990   4.099
  230    HG3  MET  27          2HG       MET  27  13.637 -10.523   5.475
  231    HE1  MET  27          1HE       MET  27  12.736 -12.460   1.893
  232    HE2  MET  27          2HE       MET  27  12.777 -10.680   1.910
  233    HE3  MET  27          3HE       MET  27  14.071 -11.591   1.096
  234    H    SER  28           H        SER  28   8.555 -12.440   4.944
  235    HA   SER  28           HA       SER  28   8.873 -15.196   4.842
  236    HB2  SER  28          1HB       SER  28   7.261 -14.402   6.372
  237    HB3  SER  28          2HB       SER  28   6.524 -13.325   5.202
  238    HG   SER  28           HG       SER  28   6.444 -16.196   4.898
  239    H    ASP  29           H        ASP  29   7.084 -12.868   2.703
  240    HA   ASP  29           HA       ASP  29   7.633 -14.476   0.458
  241    HB2  ASP  29          1HB       ASP  29   5.102 -14.705  -0.112
  242    HB3  ASP  29          2HB       ASP  29   5.795 -15.851   1.019
  243    H    LEU  30           H        LEU  30   8.277 -12.644  -0.726
  244    HA   LEU  30           HA       LEU  30   6.932 -10.151  -0.423
  245    HB2  LEU  30          1HB       LEU  30   8.998 -11.036  -2.442
  246    HB3  LEU  30          2HB       LEU  30   8.494  -9.386  -2.135
  247    HG   LEU  30           HG       LEU  30   9.770 -11.142  -0.026
  248   HD11  LEU  30          1HD1      LEU  30  11.860  -9.865  -0.489
  249   HD12  LEU  30          2HD1      LEU  30  11.369 -10.954  -1.809
  250   HD13  LEU  30          3HD1      LEU  30  11.084  -9.201  -1.947
  251   HD21  LEU  30          1HD2      LEU  30   9.037  -9.499   1.297
  252   HD22  LEU  30          2HD2      LEU  30  10.327  -8.514   0.569
  253   HD23  LEU  30          3HD2      LEU  30   8.670  -8.425  -0.075
  254    H    THR  31           H        THR  31   6.030 -13.002  -1.915
  255    HA   THR  31           HA       THR  31   4.971 -11.871  -4.340
  256    HB   THR  31           HB       THR  31   5.468 -14.486  -3.140
  257    HG1  THR  31          1HG       THR  31   4.586 -13.422  -5.731
  258   HG21  THR  31          1HG2      THR  31   2.806 -14.139  -4.612
  259   HG22  THR  31          2HG2      THR  31   3.521 -15.671  -4.055
  260   HG23  THR  31          3HG2      THR  31   2.934 -14.480  -2.870
  261    H    ILE  32           H        ILE  32   3.981 -12.104  -1.005
  262    HA   ILE  32           HA       ILE  32   1.397 -11.006  -1.816
  263    HB   ILE  32           HB       ILE  32   1.902 -13.477  -0.248
  264   HG12  ILE  32          1HG1      ILE  32   0.984 -13.442  -2.580
  265   HG13  ILE  32          2HG1      ILE  32  -0.008 -14.286  -1.407
  266   HG21  ILE  32          1HG2      ILE  32  -0.461 -13.090   0.762
  267   HG22  ILE  32          2HG2      ILE  32   0.961 -12.372   1.553
  268   HG23  ILE  32          3HG2      ILE  32  -0.088 -11.365   0.527
  269   HD11  ILE  32          1HD1      ILE  32  -1.383 -12.166  -1.133
  270   HD12  ILE  32          2HD1      ILE  32  -0.450 -11.465  -2.479
  271   HD13  ILE  32          3HD1      ILE  32  -1.472 -12.895  -2.755
  272    H    PRO  33           H        PRO  33   0.854  -8.895  -1.246
  273    HA   PRO  33           HA       PRO  33   2.933  -7.981   0.973
  274   1HB   PRO  33          1HB       PRO  33   0.686  -6.373   0.931
  275   2HB   PRO  33          2HB       PRO  33   1.916  -6.356  -0.282
  276   1HG   PRO  33          1HG       PRO  33  -0.784  -7.772  -0.298
  277   2HG   PRO  33          2HG       PRO  33   0.011  -6.917  -1.583
  278   1HD   PRO  33          1HD       PRO  33   0.109  -9.644  -1.467
  279   2HD   PRO  33          2HD       PRO  33   1.390  -8.702  -2.172
  280    H    VAL  34           H        VAL  34   2.534  -6.835   3.038
  281    HA   VAL  34           HA       VAL  34   0.778  -8.433   4.771
  282    HB   VAL  34           HB       VAL  34   2.393  -8.135   6.541
  283   HG11  VAL  34          1HG1      VAL  34   4.193  -9.557   5.698
  284   HG12  VAL  34          2HG1      VAL  34   2.622 -10.087   5.051
  285   HG13  VAL  34          3HG1      VAL  34   3.743  -9.163   4.021
  286   HG21  VAL  34          1HG2      VAL  34   4.189  -6.752   6.509
  287   HG22  VAL  34          2HG2      VAL  34   4.534  -7.060   4.790
  288   HG23  VAL  34          3HG2      VAL  34   3.252  -5.914   5.250
  289    H    LYS  35           H        LYS  35   1.955  -5.272   3.691
  290    HA   LYS  35           HA       LYS  35  -0.165  -4.063   5.309
  291    HB2  LYS  35          1HB       LYS  35   1.853  -3.596   6.523
  292    HB3  LYS  35          2HB       LYS  35   2.699  -3.115   5.067
  293    HG2  LYS  35          1HG       LYS  35   1.981  -0.987   5.361
  294    HG3  LYS  35          2HG       LYS  35   0.324  -1.523   5.169
  295    HD2  LYS  35          1HD       LYS  35   1.206  -2.268   7.820
  296    HD3  LYS  35          2HD       LYS  35   1.621  -0.585   7.562
  297    HE2  LYS  35          1HE       LYS  35  -0.686  -0.020   7.000
  298    HE3  LYS  35          2HE       LYS  35  -1.150  -1.710   6.950
  299    HZ1  LYS  35          1HZ       LYS  35  -0.108  -1.464   9.398
  300    HZ2  LYS  35          2HZ       LYS  35  -0.808  -0.001   9.206
  301    HZ3  LYS  35          3HZ       LYS  35  -1.701  -1.362   9.056
  302    H    ARG  36           H        ARG  36  -1.341  -2.435   4.271
  303    HA   ARG  36           HA       ARG  36  -0.385  -1.627   1.679
  304    HB2  ARG  36          1HB       ARG  36  -2.903  -3.235   2.190
  305    HB3  ARG  36          2HB       ARG  36  -2.917  -2.046   0.904
  306    HG2  ARG  36          1HG       ARG  36  -0.617  -3.210   0.208
  307    HG3  ARG  36          2HG       ARG  36  -1.241  -4.551   1.147
  308    HD2  ARG  36          1HD       ARG  36  -3.416  -3.656  -0.482
  309    HD3  ARG  36          2HD       ARG  36  -2.010  -3.686  -1.527
  310    HE   ARG  36           HE       ARG  36  -2.285  -6.083   0.149
  311   HH11  ARG  36          1HH1      ARG  36  -3.177  -8.079  -2.570
  312   HH12  ARG  36          2HH1      ARG  36  -2.685  -8.066  -0.909
  313   HH21  ARG  36          1HH2      ARG  36  -3.429  -6.078  -3.720
  314   HH22  ARG  36          2HH2      ARG  36  -3.126  -4.574  -2.917
  315    H    GLY  37           H        GLY  37  -0.812   0.557   1.369
  316    HA2  GLY  37          1HA       GLY  37  -3.176   1.821   2.328
  317    HA3  GLY  37          2HA       GLY  37  -1.813   2.167   3.375
  318    H    CYS  38           H        CYS  38  -2.217   4.449   2.589
  319    HA   CYS  38           HA       CYS  38  -0.972   4.833  -0.036
  320    HB2  CYS  38          1HB       CYS  38  -3.051   6.519   1.388
  321    HB3  CYS  38          2HB       CYS  38  -2.168   7.063  -0.024
  322    H    ILE  39           H        ILE  39   0.371   6.907  -0.150
  323    HA   ILE  39           HA       ILE  39   1.232   7.996   2.365
  324    HB   ILE  39           HB       ILE  39   2.478   5.853   2.191
  325   HG12  ILE  39          1HG1      ILE  39   4.592   7.915   1.942
  326   HG13  ILE  39          2HG1      ILE  39   3.311   8.287   3.078
  327   HG21  ILE  39          1HG2      ILE  39   3.983   5.361   0.510
  328   HG22  ILE  39          2HG2      ILE  39   2.648   6.112  -0.396
  329   HG23  ILE  39          3HG2      ILE  39   4.112   7.054  -0.024
  330   HD11  ILE  39          1HD1      ILE  39   5.030   7.072   4.281
  331   HD12  ILE  39          2HD1      ILE  39   3.637   5.980   4.100
  332   HD13  ILE  39          3HD1      ILE  39   5.059   5.789   3.047
  333    H    ASP  40           H        ASP  40   2.848   9.795   1.989
  334    HA   ASP  40           HA       ASP  40   2.013  11.163  -0.379
  335    HB2  ASP  40          1HB       ASP  40   2.178  12.284   1.866
  336    HB3  ASP  40          2HB       ASP  40   3.908  12.003   1.866
  337    H    VAL  41           H        VAL  41   4.996   9.821   1.157
  338    HA   VAL  41           HA       VAL  41   6.344  10.111  -1.436
  339    HB   VAL  41           HB       VAL  41   7.428  10.591   1.342
  340   HG11  VAL  41          1HG1      VAL  41   9.493  10.089   0.663
  341   HG12  VAL  41          2HG1      VAL  41   8.799   9.445  -0.844
  342   HG13  VAL  41          3HG1      VAL  41   9.329  11.142  -0.761
  343   HG21  VAL  41          1HG2      VAL  41   8.098  12.799   0.248
  344   HG22  VAL  41          2HG2      VAL  41   7.009  12.347  -1.086
  345   HG23  VAL  41          3HG2      VAL  41   6.362  12.555   0.559
  346    H    CYS  42           H        CYS  42   7.471   8.305  -2.160
  347    HA   CYS  42           HA       CYS  42   6.679   5.849  -1.095
  348    HB2  CYS  42          1HB       CYS  42   7.347   6.325  -3.486
  349    HB3  CYS  42          2HB       CYS  42   9.019   6.340  -2.963
  350    H    PRO  43           H        PRO  43   6.966   4.845   0.985
  351    HA   PRO  43           HA       PRO  43   9.909   5.491   2.039
  352   1HB   PRO  43          1HB       PRO  43   8.480   2.924   2.488
  353   2HB   PRO  43          2HB       PRO  43   8.921   4.138   3.636
  354   1HG   PRO  43          1HG       PRO  43   6.340   3.911   2.864
  355   2HG   PRO  43          2HG       PRO  43   7.027   5.494   3.053
  356   1HD   PRO  43          1HD       PRO  43   6.712   3.967   0.448
  357   2HD   PRO  43          2HD       PRO  43   6.208   5.592   0.806
  358    H    LYS  44           H        LYS  44  11.815   4.288   2.413
  359    HA   LYS  44           HA       LYS  44  12.760   2.949   0.071
  360    HB2  LYS  44          1HB       LYS  44  14.095   3.363   2.763
  361    HB3  LYS  44          2HB       LYS  44  14.882   2.850   1.285
  362    HG2  LYS  44          1HG       LYS  44  13.321   5.287   0.827
  363    HG3  LYS  44          2HG       LYS  44  14.447   5.515   2.150
  364    HD2  LYS  44          1HD       LYS  44  15.525   4.125  -0.281
  365    HD3  LYS  44          2HD       LYS  44  15.140   5.824  -0.469
  366    HE2  LYS  44          1HE       LYS  44  16.495   6.180   1.742
  367    HE3  LYS  44          2HE       LYS  44  17.103   4.557   1.481
  368    HZ1  LYS  44          1HZ       LYS  44  17.434   6.893  -0.247
  369    HZ2  LYS  44          2HZ       LYS  44  18.591   5.952   0.419
  370    HZ3  LYS  44          3HZ       LYS  44  17.682   5.381  -0.813
  371    H    ASN  45           H        ASN  45  13.680   0.751   0.062
  372    HA   ASN  45           HA       ASN  45  11.889  -0.994   1.444
  373    HB2  ASN  45          1HB       ASN  45  14.241  -1.783  -0.342
  374    HB3  ASN  45          2HB       ASN  45  12.811  -2.736   0.006
  375   HD21  ASN  45          1HD2      ASN  45  14.164  -0.086  -1.778
  376   HD22  ASN  45          2HD2      ASN  45  12.851   0.184  -2.876
  377    H    SER  46           H        SER  46  13.023  -3.146   2.362
  378    HA   SER  46           HA       SER  46  15.548  -2.462   3.611
  379    HB2  SER  46          1HB       SER  46  14.683  -3.426   5.789
  380    HB3  SER  46          2HB       SER  46  13.966  -1.892   5.335
  381    HG   SER  46           HG       SER  46  12.290  -3.482   4.232
  382    H    LEU  47           H        LEU  47  16.348  -4.600   4.879
  383    HA   LEU  47           HA       LEU  47  16.187  -6.705   2.899
  384    HB2  LEU  47          1HB       LEU  47  17.859  -6.584   5.407
  385    HB3  LEU  47          2HB       LEU  47  18.068  -7.654   4.037
  386    HG   LEU  47           HG       LEU  47  18.169  -4.987   3.039
  387   HD11  LEU  47          1HD1      LEU  47  19.672  -3.817   4.325
  388   HD12  LEU  47          2HD1      LEU  47  18.702  -4.622   5.584
  389   HD13  LEU  47          3HD1      LEU  47  20.295  -5.278   5.130
  390   HD21  LEU  47          1HD2      LEU  47  19.926  -5.801   1.902
  391   HD22  LEU  47          2HD2      LEU  47  20.707  -6.455   3.361
  392   HD23  LEU  47          3HD2      LEU  47  19.399  -7.365   2.568
  393    H    LEU  48           H        LEU  48  14.001  -5.837   5.002
  394    HA   LEU  48           HA       LEU  48  13.515  -8.592   5.887
  395    HB2  LEU  48          1HB       LEU  48  12.899  -6.113   7.495
  396    HB3  LEU  48          2HB       LEU  48  12.608  -7.775   7.966
  397    HG   LEU  48           HG       LEU  48  15.213  -8.021   7.662
  398   HD11  LEU  48          1HD1      LEU  48  16.466  -6.193   7.438
  399   HD12  LEU  48          2HD1      LEU  48  14.965  -5.344   6.996
  400   HD13  LEU  48          3HD1      LEU  48  15.544  -5.309   8.679
  401   HD21  LEU  48          1HD2      LEU  48  15.452  -7.867   9.962
  402   HD22  LEU  48          2HD2      LEU  48  14.340  -6.482  10.092
  403   HD23  LEU  48          3HD2      LEU  48  13.700  -8.112   9.768
  404    H    VAL  49           H        VAL  49  12.133  -5.323   5.173
  405    HA   VAL  49           HA       VAL  49   9.756  -6.735   4.176
  406    HB   VAL  49           HB       VAL  49   8.376  -5.009   4.981
  407   HG11  VAL  49          1HG1      VAL  49   8.999  -4.900   7.462
  408   HG12  VAL  49          2HG1      VAL  49   8.819  -6.519   6.743
  409   HG13  VAL  49          3HG1      VAL  49  10.442  -5.846   7.025
  410   HG21  VAL  49          1HG2      VAL  49   9.051  -2.911   5.811
  411   HG22  VAL  49          2HG2      VAL  49  10.739  -3.435   6.018
  412   HG23  VAL  49          3HG2      VAL  49  10.080  -3.181   4.383
  413    H    LYS  50           H        LYS  50   8.815  -5.903   2.234
  414    HA   LYS  50           HA       LYS  50  10.718  -4.271   0.716
  415    HB2  LYS  50          1HB       LYS  50  10.142  -6.625  -0.044
  416    HB3  LYS  50          2HB       LYS  50   8.521  -6.047  -0.374
  417    HG2  LYS  50          1HG       LYS  50   9.197  -4.725  -2.170
  418    HG3  LYS  50          2HG       LYS  50  10.779  -4.409  -1.489
  419    HD2  LYS  50          1HD       LYS  50  11.400  -6.829  -1.956
  420    HD3  LYS  50          2HD       LYS  50   9.856  -7.029  -2.761
  421    HE2  LYS  50          1HE       LYS  50  11.798  -4.829  -3.581
  422    HE3  LYS  50          2HE       LYS  50  11.922  -6.447  -4.240
  423    HZ1  LYS  50          1HZ       LYS  50   9.493  -4.796  -4.355
  424    HZ2  LYS  50          2HZ       LYS  50  10.555  -4.976  -5.582
  425    HZ3  LYS  50          3HZ       LYS  50   9.696  -6.260  -5.052
  426    H    TYR  51           H        TYR  51   9.678  -2.770  -0.943
  427    HA   TYR  51           HA       TYR  51   7.099  -1.756  -0.001
  428    HB2  TYR  51          1HB       TYR  51   9.850  -0.441  -0.193
  429    HB3  TYR  51          2HB       TYR  51   8.440   0.554  -0.494
  430    HD1  TYR  51          1HD       TYR  51   7.110   1.387   1.299
  431    HD2  TYR  51          2HD       TYR  51  10.095  -1.583   2.060
  432    HE1  TYR  51          1HE       TYR  51   6.833   1.739   3.801
  433    HE2  TYR  51          2HE       TYR  51   9.808  -1.221   4.559
  434    HH   TYR  51           HH       TYR  51   7.413  -0.105   5.953
  435    H    VAL  52           H        VAL  52   5.769  -1.024  -1.637
  436    HA   VAL  52           HA       VAL  52   6.984  -0.551  -4.244
  437    HB   VAL  52           HB       VAL  52   4.548  -2.286  -4.057
  438   HG11  VAL  52          1HG1      VAL  52   5.169  -1.317  -6.226
  439   HG12  VAL  52          2HG1      VAL  52   6.787  -2.052  -6.097
  440   HG13  VAL  52          3HG1      VAL  52   5.345  -3.090  -6.237
  441   HG21  VAL  52          1HG2      VAL  52   7.419  -3.252  -3.847
  442   HG22  VAL  52          2HG2      VAL  52   6.127  -3.449  -2.639
  443   HG23  VAL  52          3HG2      VAL  52   6.019  -4.293  -4.202
  444    H    CYS  53           H        CYS  53   6.362   1.485  -4.737
  445    HA   CYS  53           HA       CYS  53   3.731   2.324  -3.781
  446    HB2  CYS  53          1HB       CYS  53   5.964   4.119  -4.769
  447    HB3  CYS  53          2HB       CYS  53   4.508   4.592  -3.917
  448    H    CYS  54           H        CYS  54   2.293   3.411  -5.310
  449    HA   CYS  54           HA       CYS  54   3.106   3.290  -8.092
  450    HB2  CYS  54          1HB       CYS  54   0.825   2.229  -8.632
  451    HB3  CYS  54          2HB       CYS  54   2.098   1.179  -8.040
  452    H    ASN  55           H        ASN  55   2.018   4.898  -9.352
  453    HA   ASN  55           HA       ASN  55   0.651   6.838  -7.715
  454    HB2  ASN  55          1HB       ASN  55   1.031   8.381  -9.591
  455    HB3  ASN  55          2HB       ASN  55   2.527   7.525  -9.267
  456   HD21  ASN  55          1HD2      ASN  55   3.544   7.080 -11.056
  457   HD22  ASN  55          2HD2      ASN  55   2.867   6.498 -12.539
  458    H    THR  56           H        THR  56  -0.378   4.112  -9.000
  459    HA   THR  56           HA       THR  56  -2.539   5.180 -10.661
  460    HB   THR  56           HB       THR  56  -2.805   2.441 -10.650
  461    HG1  THR  56          1HG       THR  56  -0.519   1.716 -10.555
  462   HG21  THR  56          1HG2      THR  56  -1.343   2.394 -12.663
  463   HG22  THR  56          2HG2      THR  56  -2.391   3.833 -12.702
  464   HG23  THR  56          3HG2      THR  56  -0.682   3.988 -12.230
  465    H    ASP  57           H        ASP  57  -4.756   4.145 -10.303
  466    HA   ASP  57           HA       ASP  57  -5.347   4.591  -7.531
  467    HB2  ASP  57          1HB       ASP  57  -6.902   4.413 -10.104
  468    HB3  ASP  57          2HB       ASP  57  -7.768   4.061  -8.624
  469    H    ARG  58           H        ARG  58  -6.116   2.943  -6.116
  470    HA   ARG  58           HA       ARG  58  -6.324   0.936  -5.330
  471    HB2  ARG  58          1HB       ARG  58  -7.806   0.588  -7.974
  472    HB3  ARG  58          2HB       ARG  58  -7.779  -0.679  -6.764
  473    HG2  ARG  58          1HG       ARG  58  -8.740   0.914  -5.081
  474    HG3  ARG  58          2HG       ARG  58  -8.776   2.173  -6.299
  475    HD2  ARG  58          1HD       ARG  58 -10.104  -0.399  -7.070
  476    HD3  ARG  58          2HD       ARG  58 -10.886   0.498  -5.784
  477    HE   ARG  58           HE       ARG  58 -10.377   2.450  -7.681
  478   HH11  ARG  58          1HH1      ARG  58 -12.971   1.916  -9.955
  479   HH12  ARG  58          2HH1      ARG  58 -11.805   3.052  -9.360
  480   HH21  ARG  58          1HH2      ARG  58 -13.080  -0.216  -9.045
  481   HH22  ARG  58          2HH2      ARG  58 -11.997  -0.673  -7.773
  482    H    CYS  59           H        CYS  59  -3.967   1.555  -7.213
  483    HA   CYS  59           HA       CYS  59  -3.363  -0.729  -8.687
  484    HB2  CYS  59          1HB       CYS  59  -0.980   0.142  -8.515
  485    HB3  CYS  59          2HB       CYS  59  -2.161   1.231  -9.216
  486    H    ASN  60           H        ASN  60  -2.680   0.305  -5.292
  487    HA   ASN  60           HA       ASN  60  -1.178  -2.039  -4.761
  488    HB2  ASN  60          1HB       ASN  60  -0.978  -1.154  -2.517
  489    HB3  ASN  60          2HB       ASN  60  -0.935   0.237  -3.581
  490   HD21  ASN  60          1HD2      ASN  60  -1.868  -0.386  -0.730
  491   HD22  ASN  60          2HD2      ASN  60  -3.424   0.364  -0.599
  492    H1   HOH 101          1H        HOH  61   5.064 -11.571   2.632
  493    H2   HOH 101          2H        HOH  61   3.982 -10.537   2.861
  Start of MODEL    8
    1    H1   LEU   1           H        LEU   1  -5.356  10.261  -4.378
    2    HA   LEU   1           HA       LEU   1  -6.867   8.499  -6.033
    3    HB2  LEU   1          1HB       LEU   1  -4.128   9.021  -5.402
    4    HB3  LEU   1          2HB       LEU   1  -4.436   7.313  -5.161
    5    HG   LEU   1           HG       LEU   1  -5.533   7.407  -7.522
    6   HD11  LEU   1          1HD1      LEU   1  -3.700   9.417  -8.458
    7   HD12  LEU   1          2HD1      LEU   1  -5.460   9.291  -8.688
    8   HD13  LEU   1          3HD1      LEU   1  -4.807  10.117  -7.252
    9   HD21  LEU   1          1HD2      LEU   1  -3.531   6.687  -8.500
   10   HD22  LEU   1          2HD2      LEU   1  -2.538   7.746  -7.471
   11   HD23  LEU   1          3HD2      LEU   1  -3.340   6.319  -6.769
   12    H    LYS   2           H        LYS   2  -6.884   6.055  -5.535
   13    HA   LYS   2           HA       LYS   2  -7.573   5.725  -2.696
   14    HB2  LYS   2          1HB       LYS   2  -8.882   4.497  -5.140
   15    HB3  LYS   2          2HB       LYS   2  -9.233   4.035  -3.486
   16    HG2  LYS   2          1HG       LYS   2  -9.359   6.929  -3.692
   17    HG3  LYS   2          2HG       LYS   2 -10.329   6.230  -4.973
   18    HD2  LYS   2          1HD       LYS   2 -10.916   4.669  -2.674
   19    HD3  LYS   2          2HD       LYS   2 -10.860   6.322  -2.095
   20    HE2  LYS   2          1HE       LYS   2 -12.414   6.973  -4.010
   21    HE3  LYS   2          2HE       LYS   2 -12.558   5.271  -4.407
   22    HZ1  LYS   2          1HZ       LYS   2 -13.960   4.991  -2.744
   23    HZ2  LYS   2          2HZ       LYS   2 -12.998   5.737  -1.656
   24    HZ3  LYS   2          3HZ       LYS   2 -14.027   6.614  -2.573
   25    H    CYS   3           H        CYS   3  -7.012   3.706  -1.703
   26    HA   CYS   3           HA       CYS   3  -5.197   2.066  -3.298
   27    HB2  CYS   3          1HB       CYS   3  -4.516   2.783  -0.444
   28    HB3  CYS   3          2HB       CYS   3  -3.493   2.053  -1.665
   29    H    ASN   4           H        ASN   4  -5.230  -0.179  -2.666
   30    HA   ASN   4           HA       ASN   4  -7.632  -0.879  -1.302
   31    HB2  ASN   4          1HB       ASN   4  -5.462  -2.804  -2.248
   32    HB3  ASN   4          2HB       ASN   4  -7.174  -3.130  -2.070
   33   HD21  ASN   4          1HD2      ASN   4  -5.914  -3.744  -4.381
   34   HD22  ASN   4          2HD2      ASN   4  -6.417  -2.709  -5.676
   35    H    LYS   5           H        LYS   5  -7.590  -2.524   0.534
   36    HA   LYS   5           HA       LYS   5  -5.439  -1.870   2.359
   37    HB2  LYS   5          1HB       LYS   5  -8.060  -3.349   2.729
   38    HB3  LYS   5          2HB       LYS   5  -6.900  -3.061   4.009
   39    HG2  LYS   5          1HG       LYS   5  -8.441  -0.975   2.409
   40    HG3  LYS   5          2HG       LYS   5  -8.558  -1.296   4.128
   41    HD2  LYS   5          1HD       LYS   5  -6.212  -0.052   2.629
   42    HD3  LYS   5          2HD       LYS   5  -7.206   0.697   3.865
   43    HE2  LYS   5          1HE       LYS   5  -6.277  -1.529   5.220
   44    HE3  LYS   5          2HE       LYS   5  -4.920  -1.194   4.161
   45    HZ1  LYS   5          1HZ       LYS   5  -4.657   0.889   5.070
   46    HZ2  LYS   5          2HZ       LYS   5  -6.168   0.964   5.681
   47    HZ3  LYS   5          3HZ       LYS   5  -5.052  -0.002   6.379
   48    H    LEU   6           H        LEU   6  -5.353  -4.203   3.935
   49    HA   LEU   6           HA       LEU   6  -3.396  -5.650   2.683
   50    HB2  LEU   6          1HB       LEU   6  -4.175  -5.505   5.151
   51    HB3  LEU   6          2HB       LEU   6  -5.209  -6.862   4.745
   52    HG   LEU   6           HG       LEU   6  -3.403  -8.308   4.379
   53   HD11  LEU   6          1HD1      LEU   6  -2.025  -7.076   2.902
   54   HD12  LEU   6          2HD1      LEU   6  -1.682  -5.836   4.132
   55   HD13  LEU   6          3HD1      LEU   6  -1.013  -7.475   4.311
   56   HD21  LEU   6          1HD2      LEU   6  -2.110  -6.703   6.545
   57   HD22  LEU   6          2HD2      LEU   6  -3.768  -7.300   6.797
   58   HD23  LEU   6          3HD2      LEU   6  -2.452  -8.448   6.453
   59    H    VAL   7           H        VAL   7  -6.953  -6.170   2.715
   60    HA   VAL   7           HA       VAL   7  -6.517  -8.293   0.727
   61    HB   VAL   7           HB       VAL   7  -8.477  -7.947   2.962
   62   HG11  VAL   7          1HG1      VAL   7  -9.152  -8.847   0.265
   63   HG12  VAL   7          2HG1      VAL   7  -9.467 -10.094   1.495
   64   HG13  VAL   7          3HG1      VAL   7 -10.211  -8.483   1.648
   65   HG21  VAL   7          1HG2      VAL   7  -7.608 -10.637   2.175
   66   HG22  VAL   7          2HG2      VAL   7  -6.258  -9.547   2.576
   67   HG23  VAL   7          3HG2      VAL   7  -7.555  -9.829   3.762
   68    H    PRO   8           H        PRO   8  -6.835  -8.114  -1.515
   69    HA   PRO   8           HA       PRO   8  -7.723  -5.164  -1.976
   70   1HB   PRO   8          1HB       PRO   8  -8.352  -7.440  -3.821
   71   2HB   PRO   8          2HB       PRO   8  -7.370  -6.050  -4.116
   72   1HG   PRO   8          1HG       PRO   8  -6.161  -8.388  -3.597
   73   2HG   PRO   8          2HG       PRO   8  -5.555  -6.966  -2.809
   74   1HD   PRO   8          1HD       PRO   8  -7.413  -9.040  -1.613
   75   2HD   PRO   8          2HD       PRO   8  -5.965  -8.366  -0.927
   76    H    ILE   9           H        ILE   9 -10.161  -7.282  -0.798
   77    HA   ILE   9           HA       ILE   9 -12.247  -6.103  -2.421
   78    HB   ILE   9           HB       ILE   9 -12.439  -8.423  -2.000
   79   HG12  ILE   9          1HG1      ILE   9 -14.638  -8.572  -1.113
   80   HG13  ILE   9          2HG1      ILE   9 -14.421  -7.158  -0.101
   81   HG21  ILE   9          1HG2      ILE   9 -12.807  -9.108   0.520
   82   HG22  ILE   9          2HG2      ILE   9 -11.174  -9.011  -0.184
   83   HG23  ILE   9          3HG2      ILE   9 -11.790  -7.679   0.823
   84   HD11  ILE   9          1HD1      ILE   9 -14.220  -5.719  -2.121
   85   HD12  ILE   9          2HD1      ILE   9 -14.426  -7.153  -3.155
   86   HD13  ILE   9          3HD1      ILE   9 -15.762  -6.609  -2.110
   87    H    ALA  10           H        ALA  10 -10.383  -4.713  -0.270
   88    HA   ALA  10           HA       ALA  10 -12.531  -3.070   0.744
   89    HB1  ALA  10          1HB       ALA  10 -10.731  -4.753   2.512
   90    HB2  ALA  10          2HB       ALA  10 -11.494  -3.254   3.098
   91    HB3  ALA  10          3HB       ALA  10 -12.505  -4.612   2.546
   92    H    TYR  11           H        TYR  11 -11.876  -1.081   0.105
   93    HA   TYR  11           HA       TYR  11  -9.073  -0.386   0.610
   94    HB2  TYR  11          1HB       TYR  11  -8.960   0.537  -1.650
   95    HB3  TYR  11          2HB       TYR  11  -9.683  -1.047  -1.843
   96    HD1  TYR  11          1HD       TYR  11 -12.333  -1.101  -1.772
   97    HD2  TYR  11          2HD       TYR  11 -10.000   2.384  -2.623
   98    HE1  TYR  11          1HE       TYR  11 -14.328  -0.042  -2.941
   99    HE2  TYR  11          2HE       TYR  11 -12.003   3.431  -3.789
  100    HH   TYR  11           HH       TYR  11 -14.088   3.232  -4.304
  101    H    LYS  12           H        LYS  12  -8.713   1.997   0.695
  102    HA   LYS  12           HA       LYS  12 -11.174   3.491   1.200
  103    HB2  LYS  12          1HB       LYS  12  -8.811   3.395   3.100
  104    HB3  LYS  12          2HB       LYS  12 -10.217   4.430   3.260
  105    HG2  LYS  12          1HG       LYS  12 -11.661   2.313   3.267
  106    HG3  LYS  12          2HG       LYS  12 -10.180   1.378   3.340
  107    HD2  LYS  12          1HD       LYS  12  -9.754   1.954   5.539
  108    HD3  LYS  12          2HD       LYS  12 -10.384   3.579   5.350
  109    HE2  LYS  12          1HE       LYS  12 -12.560   2.955   5.863
  110    HE3  LYS  12          2HE       LYS  12 -12.399   1.372   5.129
  111    HZ1  LYS  12          1HZ       LYS  12 -11.469   2.231   7.761
  112    HZ2  LYS  12          2HZ       LYS  12 -12.444   0.977   7.386
  113    HZ3  LYS  12          3HZ       LYS  12 -10.848   0.897   7.051
  114    H    THR  13           H        THR  13 -10.106   5.936   1.875
  115    HA   THR  13           HA       THR  13  -8.779   6.630  -0.627
  116    HB   THR  13           HB       THR  13  -9.859   8.672  -0.352
  117    HG1  THR  13          1HG       THR  13 -10.166   9.374   2.026
  118   HG21  THR  13          1HG2      THR  13 -12.020   8.384   0.510
  119   HG22  THR  13          2HG2      THR  13 -11.538   6.678   0.360
  120   HG23  THR  13          3HG2      THR  13 -11.437   7.494   1.938
  121    H    CYS  14           H        CYS  14  -6.801   7.677  -0.803
  122    HA   CYS  14           HA       CYS  14  -4.918   6.947   1.126
  123    HB2  CYS  14          1HB       CYS  14  -4.655   8.987  -1.106
  124    HB3  CYS  14          2HB       CYS  14  -3.330   8.263  -0.217
  125    H    PRO  15           H        PRO  15  -4.761   7.428   3.386
  126    HA   PRO  15           HA       PRO  15  -6.502  10.021   3.844
  127   1HB   PRO  15          1HB       PRO  15  -4.801   9.524   5.977
  128   2HB   PRO  15          2HB       PRO  15  -6.217   8.602   5.616
  129   1HG   PRO  15          1HG       PRO  15  -3.307   8.009   4.926
  130   2HG   PRO  15          2HG       PRO  15  -4.541   6.925   5.488
  131   1HD   PRO  15          1HD       PRO  15  -3.922   7.006   2.848
  132   2HD   PRO  15          2HD       PRO  15  -5.541   6.672   3.387
  133    H    GLU  16           H        GLU  16  -5.431  11.581   5.779
  134    HA   GLU  16           HA       GLU  16  -4.541  13.747   4.374
  135    HB2  GLU  16          1HB       GLU  16  -4.130  13.121   7.330
  136    HB3  GLU  16          2HB       GLU  16  -3.986  14.712   6.613
  137    HG2  GLU  16          1HG       GLU  16  -6.517  13.003   6.547
  138    HG3  GLU  16          2HG       GLU  16  -6.231  14.315   7.674
  139    H    GLY  17           H        GLY  17  -2.572  14.419   3.591
  140    HA2  GLY  17          1HA       GLY  17  -0.339  14.550   3.300
  141    HA3  GLY  17          2HA       GLY  17  -0.104  13.712   4.821
  142    H    LYS  18           H        LYS  18  -2.115  12.371   2.187
  143    HA   LYS  18           HA       LYS  18   0.040  10.714   1.233
  144    HB2  LYS  18          1HB       LYS  18  -2.326   9.425   2.623
  145    HB3  LYS  18          2HB       LYS  18  -1.020   8.595   1.801
  146    HG2  LYS  18          1HG       LYS  18   0.616   9.648   3.414
  147    HG3  LYS  18          2HG       LYS  18  -0.730  10.381   4.263
  148    HD2  LYS  18          1HD       LYS  18  -1.385   8.391   5.236
  149    HD3  LYS  18          2HD       LYS  18  -0.991   7.443   3.815
  150    HE2  LYS  18          1HE       LYS  18   1.530   8.178   4.544
  151    HE3  LYS  18          2HE       LYS  18   0.764   8.237   6.119
  152    HZ1  LYS  18          1HZ       LYS  18  -0.146   5.938   5.035
  153    HZ2  LYS  18          2HZ       LYS  18   1.407   5.982   4.535
  154    HZ3  LYS  18          3HZ       LYS  18   1.060   6.062   6.129
  155    H    ASN  19           H        ASN  19  -0.348   9.968  -0.861
  156    HA   ASN  19           HA       ASN  19  -3.030  10.356  -1.866
  157    HB2  ASN  19          1HB       ASN  19  -1.917  12.469  -2.440
  158    HB3  ASN  19          2HB       ASN  19  -0.503  11.625  -3.036
  159   HD21  ASN  19          1HD2      ASN  19  -0.359  11.674  -5.134
  160   HD22  ASN  19          2HD2      ASN  19  -1.646  11.541  -6.285
  161    H    LEU  20           H        LEU  20   0.398   9.312  -2.362
  162    HA   LEU  20           HA       LEU  20  -0.288   7.562  -4.525
  163    HB2  LEU  20          1HB       LEU  20   2.214   8.158  -2.968
  164    HB3  LEU  20          2HB       LEU  20   2.143   6.819  -4.096
  165    HG   LEU  20           HG       LEU  20   1.165   9.313  -5.275
  166   HD11  LEU  20          1HD1      LEU  20   4.070   9.242  -4.415
  167   HD12  LEU  20          2HD1      LEU  20   3.266  10.497  -5.387
  168   HD13  LEU  20          3HD1      LEU  20   2.809  10.263  -3.683
  169   HD21  LEU  20          1HD2      LEU  20   1.969   8.384  -7.142
  170   HD22  LEU  20          2HD2      LEU  20   3.555   8.048  -6.407
  171   HD23  LEU  20          3HD2      LEU  20   2.201   6.921  -6.153
  172    H    CYS  21           H        CYS  21   0.039   5.195  -4.456
  173    HA   CYS  21           HA       CYS  21  -0.849   4.190  -1.864
  174    HB2  CYS  21          1HB       CYS  21  -1.037   2.854  -4.583
  175    HB3  CYS  21          2HB       CYS  21  -1.718   2.259  -3.082
  176    H    TYR  22           H        TYR  22   0.355   2.558  -0.802
  177    HA   TYR  22           HA       TYR  22   2.810   1.698  -2.170
  178    HB2  TYR  22          1HB       TYR  22   4.017   2.241  -0.138
  179    HB3  TYR  22          2HB       TYR  22   2.933   3.602  -0.345
  180    HD1  TYR  22          1HD       TYR  22   3.015   0.237   1.319
  181    HD2  TYR  22          2HD       TYR  22   1.661   4.292   1.475
  182    HE1  TYR  22          1HE       TYR  22   2.058  -0.164   3.639
  183    HE2  TYR  22          2HE       TYR  22   0.709   3.877   3.796
  184    HH   TYR  22           HH       TYR  22   1.205   0.772   5.419
  185    H    LYS  23           H        LYS  23   3.494  -0.429  -1.738
  186    HA   LYS  23           HA       LYS  23   1.648  -1.975  -0.053
  187    HB2  LYS  23          1HB       LYS  23   2.021  -2.178  -2.857
  188    HB3  LYS  23          2HB       LYS  23   2.802  -3.579  -2.152
  189    HG2  LYS  23          1HG       LYS  23   0.799  -4.321  -1.087
  190    HG3  LYS  23          2HG       LYS  23   0.036  -2.748  -1.217
  191    HD2  LYS  23          1HD       LYS  23  -1.034  -3.895  -2.953
  192    HD3  LYS  23          2HD       LYS  23   0.280  -3.133  -3.828
  193    HE2  LYS  23          1HE       LYS  23   1.423  -5.531  -2.900
  194    HE3  LYS  23          2HE       LYS  23  -0.214  -5.997  -3.321
  195    HZ1  LYS  23          1HZ       LYS  23   1.905  -5.081  -5.025
  196    HZ2  LYS  23          2HZ       LYS  23   0.676  -6.106  -5.349
  197    HZ3  LYS  23          3HZ       LYS  23   0.427  -4.493  -5.395
  198    H    MET  24           H        MET  24   2.703  -2.645   1.730
  199    HA   MET  24           HA       MET  24   5.573  -2.978   1.509
  200    HB2  MET  24          1HB       MET  24   3.572  -2.520   3.741
  201    HB3  MET  24          2HB       MET  24   5.077  -3.316   4.156
  202    HG2  MET  24          1HG       MET  24   6.356  -1.417   3.772
  203    HG3  MET  24          2HG       MET  24   5.343  -0.866   2.455
  204    HE1  MET  24          1HE       MET  24   4.806  -0.797   6.848
  205    HE2  MET  24          2HE       MET  24   6.237  -1.151   5.849
  206    HE3  MET  24          3HE       MET  24   5.895   0.523   6.353
  207    H    PHE  25           H        PHE  25   6.652  -4.934   2.059
  208    HA   PHE  25           HA       PHE  25   4.876  -7.222   2.517
  209    HB2  PHE  25          1HB       PHE  25   7.198  -6.765   0.566
  210    HB3  PHE  25          2HB       PHE  25   6.719  -8.390   1.015
  211    HD1  PHE  25          1HD       PHE  25   4.921  -9.447  -0.065
  212    HD2  PHE  25          2HD       PHE  25   5.452  -5.262  -0.528
  213    HE1  PHE  25          1HE       PHE  25   3.164  -9.421  -1.858
  214    HE2  PHE  25          2HE       PHE  25   3.696  -5.236  -2.320
  215    HZ   PHE  25           HZ       PHE  25   2.573  -7.316  -2.964
  216    H    MET  26           H        MET  26   6.265  -9.227   3.209
  217    HA   MET  26           HA       MET  26   8.451  -8.266   4.884
  218    HB2  MET  26          1HB       MET  26   6.188 -10.221   5.569
  219    HB3  MET  26          2HB       MET  26   7.616 -10.041   6.568
  220    HG2  MET  26          1HG       MET  26   7.092  -7.573   6.803
  221    HG3  MET  26          2HG       MET  26   5.617  -7.829   5.889
  222    HE1  MET  26          1HE       MET  26   6.499  -9.008  10.205
  223    HE2  MET  26          2HE       MET  26   7.695  -9.183   8.897
  224    HE3  MET  26          3HE       MET  26   7.067  -7.572   9.321
  225    H    MET  27           H        MET  27  10.012 -10.026   5.534
  226    HA   MET  27           HA       MET  27  10.858 -11.414   3.329
  227    HB2  MET  27          1HB       MET  27  11.407 -11.484   6.305
  228    HB3  MET  27          2HB       MET  27  12.060 -12.796   5.345
  229    HG2  MET  27          1HG       MET  27  12.479  -9.998   4.306
  230    HG3  MET  27          2HG       MET  27  13.401 -10.473   5.720
  231    HE1  MET  27          1HE       MET  27  15.501 -13.465   4.549
  232    HE2  MET  27          2HE       MET  27  15.321 -12.162   5.749
  233    HE3  MET  27          3HE       MET  27  14.041 -13.385   5.564
  234    H    SER  28           H        SER  28   8.222 -12.119   5.420
  235    HA   SER  28           HA       SER  28   8.372 -14.890   5.481
  236    HB2  SER  28          1HB       SER  28   6.850 -13.945   7.002
  237    HB3  SER  28          2HB       SER  28   6.174 -12.850   5.812
  238    HG   SER  28           HG       SER  28   4.886 -14.851   6.511
  239    H    ASP  29           H        ASP  29   6.727 -12.577   3.225
  240    HA   ASP  29           HA       ASP  29   7.062 -14.402   1.099
  241    HB2  ASP  29          1HB       ASP  29   4.586 -14.532   0.552
  242    HB3  ASP  29          2HB       ASP  29   5.070 -15.465   1.954
  243    H    LEU  30           H        LEU  30   8.004 -12.639  -0.047
  244    HA   LEU  30           HA       LEU  30   6.837 -10.051  -0.002
  245    HB2  LEU  30          1HB       LEU  30   8.973 -11.275  -1.753
  246    HB3  LEU  30          2HB       LEU  30   8.536  -9.577  -1.747
  247    HG   LEU  30           HG       LEU  30   9.506 -11.013   0.732
  248   HD11  LEU  30          1HD1      LEU  30  11.152  -9.530  -1.336
  249   HD12  LEU  30          2HD1      LEU  30  11.732 -10.036   0.269
  250   HD13  LEU  30          3HD1      LEU  30  11.245 -11.260  -0.928
  251   HD21  LEU  30          1HD2      LEU  30  10.209  -8.294   0.759
  252   HD22  LEU  30          2HD2      LEU  30   8.530  -8.355   0.172
  253   HD23  LEU  30          3HD2      LEU  30   8.957  -9.107   1.727
  254    H    THR  31           H        THR  31   6.098 -12.992  -1.632
  255    HA   THR  31           HA       THR  31   5.144 -11.858  -4.064
  256    HB   THR  31           HB       THR  31   5.506 -14.460  -2.803
  257    HG1  THR  31          1HG       THR  31   5.658 -14.900  -5.082
  258   HG21  THR  31          1HG2      THR  31   3.031 -14.554  -2.608
  259   HG22  THR  31          2HG2      THR  31   2.866 -13.966  -4.280
  260   HG23  THR  31          3HG2      THR  31   3.567 -15.572  -3.967
  261    H    ILE  32           H        ILE  32   3.896 -12.100  -0.798
  262    HA   ILE  32           HA       ILE  32   1.436 -10.868  -1.781
  263    HB   ILE  32           HB       ILE  32   1.703 -13.406  -0.263
  264   HG12  ILE  32          1HG1      ILE  32  -0.533 -12.453  -2.058
  265   HG13  ILE  32          2HG1      ILE  32   0.957 -13.115  -2.700
  266   HG21  ILE  32          1HG2      ILE  32  -0.169 -11.198   0.474
  267   HG22  ILE  32          2HG2      ILE  32  -0.777 -12.871   0.486
  268   HG23  ILE  32          3HG2      ILE  32   0.622 -12.426   1.494
  269   HD11  ILE  32          1HD1      ILE  32  -1.061 -14.734  -2.262
  270   HD12  ILE  32          2HD1      ILE  32   0.570 -15.255  -1.776
  271   HD13  ILE  32          3HD1      ILE  32  -0.563 -14.626  -0.556
  272    H    PRO  33           H        PRO  33   0.870  -8.776  -1.147
  273    HA   PRO  33           HA       PRO  33   2.988  -7.959   1.049
  274   1HB   PRO  33          1HB       PRO  33   0.786  -6.274   1.050
  275   2HB   PRO  33          2HB       PRO  33   2.013  -6.282  -0.166
  276   1HG   PRO  33          1HG       PRO  33  -0.731  -7.603  -0.193
  277   2HG   PRO  33          2HG       PRO  33   0.103  -6.784  -1.476
  278   1HD   PRO  33          1HD       PRO  33   0.095  -9.514  -1.349
  279   2HD   PRO  33          2HD       PRO  33   1.410  -8.625  -2.057
  280    H    VAL  34           H        VAL  34   2.795  -6.899   3.141
  281    HA   VAL  34           HA       VAL  34   1.121  -8.502   4.940
  282    HB   VAL  34           HB       VAL  34   3.850  -7.871   4.935
  283   HG11  VAL  34          1HG1      VAL  34   4.274  -6.556   6.869
  284   HG12  VAL  34          2HG1      VAL  34   3.103  -5.639   5.891
  285   HG13  VAL  34          3HG1      VAL  34   2.554  -6.538   7.327
  286   HG21  VAL  34          1HG2      VAL  34   2.959  -8.768   7.532
  287   HG22  VAL  34          2HG2      VAL  34   2.035  -9.588   6.252
  288   HG23  VAL  34          3HG2      VAL  34   3.813  -9.668   6.255
  289    H    LYS  35           H        LYS  35   2.024  -5.201   3.890
  290    HA   LYS  35           HA       LYS  35  -0.330  -4.245   5.347
  291    HB2  LYS  35          1HB       LYS  35   2.286  -2.728   5.207
  292    HB3  LYS  35          2HB       LYS  35   0.836  -2.270   6.077
  293    HG2  LYS  35          1HG       LYS  35   1.519  -4.930   6.926
  294    HG3  LYS  35          2HG       LYS  35   2.998  -3.990   6.950
  295    HD2  LYS  35          1HD       LYS  35   2.302  -3.190   8.962
  296    HD3  LYS  35          2HD       LYS  35   1.152  -2.219   8.066
  297    HE2  LYS  35          1HE       LYS  35  -0.392  -3.316   9.371
  298    HE3  LYS  35          2HE       LYS  35  -0.241  -4.563   8.149
  299    HZ1  LYS  35          1HZ       LYS  35   1.816  -5.015   9.865
  300    HZ2  LYS  35          2HZ       LYS  35   0.571  -4.623  10.846
  301    HZ3  LYS  35          3HZ       LYS  35   0.419  -5.858   9.789
  302    H    ARG  36           H        ARG  36  -1.461  -2.510   4.315
  303    HA   ARG  36           HA       ARG  36  -0.442  -1.768   1.723
  304    HB2  ARG  36          1HB       ARG  36  -3.016  -3.285   2.242
  305    HB3  ARG  36          2HB       ARG  36  -2.973  -2.131   0.924
  306    HG2  ARG  36          1HG       ARG  36  -0.597  -3.516   0.529
  307    HG3  ARG  36          2HG       ARG  36  -1.638  -4.775   1.162
  308    HD2  ARG  36          1HD       ARG  36  -3.398  -3.791  -0.589
  309    HD3  ARG  36          2HD       ARG  36  -1.966  -3.140  -1.364
  310    HE   ARG  36           HE       ARG  36  -1.162  -5.384  -1.753
  311   HH11  ARG  36          1HH1      ARG  36  -3.175  -8.234  -1.775
  312   HH12  ARG  36          2HH1      ARG  36  -1.659  -7.556  -2.263
  313   HH21  ARG  36          1HH2      ARG  36  -4.704  -6.939  -0.603
  314   HH22  ARG  36          2HH2      ARG  36  -4.326  -5.294  -0.216
  315    H    GLY  37           H        GLY  37  -0.652   0.445   1.531
  316    HA2  GLY  37          1HA       GLY  37  -3.040   1.796   2.385
  317    HA3  GLY  37          2HA       GLY  37  -1.670   2.111   3.431
  318    H    CYS  38           H        CYS  38  -2.014   4.393   2.598
  319    HA   CYS  38           HA       CYS  38  -0.695   4.690  -0.004
  320    HB2  CYS  38          1HB       CYS  38  -2.821   6.415   1.296
  321    HB3  CYS  38          2HB       CYS  38  -1.867   6.943  -0.076
  322    H    ILE  39           H        ILE  39   0.580   6.855  -0.112
  323    HA   ILE  39           HA       ILE  39   1.411   7.923   2.418
  324    HB   ILE  39           HB       ILE  39   2.697   5.807   2.239
  325   HG12  ILE  39          1HG1      ILE  39   4.765   7.922   2.010
  326   HG13  ILE  39          2HG1      ILE  39   3.479   8.239   3.158
  327   HG21  ILE  39          1HG2      ILE  39   3.901   5.208   0.453
  328   HG22  ILE  39          2HG2      ILE  39   2.955   6.435  -0.424
  329   HG23  ILE  39          3HG2      ILE  39   4.560   6.846   0.227
  330   HD11  ILE  39          1HD1      ILE  39   3.875   5.894   4.107
  331   HD12  ILE  39          2HD1      ILE  39   5.329   5.819   3.083
  332   HD13  ILE  39          3HD1      ILE  39   5.201   7.052   4.359
  333    H    ASP  40           H        ASP  40   2.964   9.771   2.083
  334    HA   ASP  40           HA       ASP  40   2.125  11.151  -0.267
  335    HB2  ASP  40          1HB       ASP  40   2.182  12.492   1.697
  336    HB3  ASP  40          2HB       ASP  40   3.725  11.842   2.210
  337    H    VAL  41           H        VAL  41   5.111   9.765   1.208
  338    HA   VAL  41           HA       VAL  41   6.457  10.161  -1.371
  339    HB   VAL  41           HB       VAL  41   7.503  10.562   1.430
  340   HG11  VAL  41          1HG1      VAL  41   9.540   9.897   0.818
  341   HG12  VAL  41          2HG1      VAL  41   8.910   9.424  -0.779
  342   HG13  VAL  41          3HG1      VAL  41   9.531  11.072  -0.519
  343   HG21  VAL  41          1HG2      VAL  41   8.139  12.772   0.601
  344   HG22  VAL  41          2HG2      VAL  41   7.516  12.362  -1.016
  345   HG23  VAL  41          3HG2      VAL  41   6.397  12.492   0.362
  346    H    CYS  42           H        CYS  42   7.548   8.376  -2.187
  347    HA   CYS  42           HA       CYS  42   6.758   5.883  -1.204
  348    HB2  CYS  42          1HB       CYS  42   7.313   6.357  -3.579
  349    HB3  CYS  42          2HB       CYS  42   9.003   6.522  -3.147
  350    H    PRO  43           H        PRO  43   7.103   4.758   0.809
  351    HA   PRO  43           HA       PRO  43  10.078   5.335   1.809
  352   1HB   PRO  43          1HB       PRO  43   8.658   2.740   2.130
  353   2HB   PRO  43          2HB       PRO  43   9.140   3.874   3.341
  354   1HG   PRO  43          1HG       PRO  43   6.534   3.699   2.634
  355   2HG   PRO  43          2HG       PRO  43   7.229   5.265   2.913
  356   1HD   PRO  43          1HD       PRO  43   6.824   3.925   0.220
  357   2HD   PRO  43          2HD       PRO  43   6.349   5.525   0.707
  358    H    LYS  44           H        LYS  44  11.979   4.070   2.069
  359    HA   LYS  44           HA       LYS  44  12.880   2.934  -0.389
  360    HB2  LYS  44          1HB       LYS  44  14.178   3.238   2.333
  361    HB3  LYS  44          2HB       LYS  44  14.992   2.585   0.925
  362    HG2  LYS  44          1HG       LYS  44  13.595   5.270   0.737
  363    HG3  LYS  44          2HG       LYS  44  15.180   5.170   1.476
  364    HD2  LYS  44          1HD       LYS  44  15.412   3.641  -0.894
  365    HD3  LYS  44          2HD       LYS  44  14.445   5.025  -1.362
  366    HE2  LYS  44          1HE       LYS  44  16.351   6.304   0.119
  367    HE3  LYS  44          2HE       LYS  44  17.291   4.927  -0.421
  368    HZ1  LYS  44          1HZ       LYS  44  16.859   7.120  -1.863
  369    HZ2  LYS  44          2HZ       LYS  44  17.275   5.674  -2.500
  370    HZ3  LYS  44          3HZ       LYS  44  15.709   6.134  -2.472
  371    H    ASN  45           H        ASN  45  13.604   0.744  -0.727
  372    HA   ASN  45           HA       ASN  45  11.887  -1.090   0.635
  373    HB2  ASN  45          1HB       ASN  45  13.914  -1.401  -1.638
  374    HB3  ASN  45          2HB       ASN  45  12.992  -2.751  -1.007
  375   HD21  ASN  45          1HD2      ASN  45  12.888   0.284  -2.721
  376   HD22  ASN  45          2HD2      ASN  45  11.303   0.133  -3.404
  377    H    SER  46           H        SER  46  12.817  -3.191   1.548
  378    HA   SER  46           HA       SER  46  15.602  -2.952   2.309
  379    HB2  SER  46          1HB       SER  46  14.997  -3.628   4.669
  380    HB3  SER  46          2HB       SER  46  14.486  -2.010   4.229
  381    HG   SER  46           HG       SER  46  12.556  -2.660   4.898
  382    H    LEU  47           H        LEU  47  16.265  -5.142   3.506
  383    HA   LEU  47           HA       LEU  47  15.425  -7.241   1.742
  384    HB2  LEU  47          1HB       LEU  47  17.396  -7.173   4.030
  385    HB3  LEU  47          2HB       LEU  47  17.131  -8.551   2.982
  386    HG   LEU  47           HG       LEU  47  18.624  -6.047   2.494
  387   HD11  LEU  47          1HD1      LEU  47  19.045  -8.533   0.917
  388   HD12  LEU  47          2HD1      LEU  47  20.220  -7.439   1.684
  389   HD13  LEU  47          3HD1      LEU  47  19.330  -8.622   2.672
  390   HD21  LEU  47          1HD2      LEU  47  18.248  -5.946   0.129
  391   HD22  LEU  47          2HD2      LEU  47  17.151  -7.346   0.189
  392   HD23  LEU  47          3HD2      LEU  47  16.677  -5.809   0.951
  393    H    LEU  48           H        LEU  48  14.498  -5.984   4.851
  394    HA   LEU  48           HA       LEU  48  13.382  -8.512   5.714
  395    HB2  LEU  48          1HB       LEU  48  13.214  -5.774   6.978
  396    HB3  LEU  48          2HB       LEU  48  12.755  -7.297   7.714
  397    HG   LEU  48           HG       LEU  48  15.415  -7.694   6.963
  398   HD11  LEU  48          1HD1      LEU  48  14.940  -4.841   7.762
  399   HD12  LEU  48          2HD1      LEU  48  16.431  -5.671   8.271
  400   HD13  LEU  48          3HD1      LEU  48  16.043  -5.518   6.541
  401   HD21  LEU  48          1HD2      LEU  48  13.855  -7.378   9.448
  402   HD22  LEU  48          2HD2      LEU  48  15.001  -8.647   8.955
  403   HD23  LEU  48          3HD2      LEU  48  15.606  -7.105   9.608
  404    H    VAL  49           H        VAL  49  12.320  -5.286   4.506
  405    HA   VAL  49           HA       VAL  49   9.737  -6.539   3.907
  406    HB   VAL  49           HB       VAL  49   8.550  -4.647   4.652
  407   HG11  VAL  49          1HG1      VAL  49   8.924  -4.666   6.996
  408   HG12  VAL  49          2HG1      VAL  49   9.449  -6.261   6.404
  409   HG13  VAL  49          3HG1      VAL  49  10.658  -5.015   6.794
  410   HG21  VAL  49          1HG2      VAL  49  10.833  -3.196   3.992
  411   HG22  VAL  49          2HG2      VAL  49   9.338  -2.554   4.717
  412   HG23  VAL  49          3HG2      VAL  49  10.706  -3.019   5.758
  413    H    LYS  50           H        LYS  50   8.625  -5.567   2.046
  414    HA   LYS  50           HA       LYS  50  10.511  -4.133   0.307
  415    HB2  LYS  50          1HB       LYS  50  10.107  -6.583  -0.255
  416    HB3  LYS  50          2HB       LYS  50   8.451  -6.145  -0.628
  417    HG2  LYS  50          1HG       LYS  50   9.129  -4.665  -2.408
  418    HG3  LYS  50          2HG       LYS  50  10.799  -4.667  -1.880
  419    HD2  LYS  50          1HD       LYS  50  11.219  -6.413  -3.259
  420    HD3  LYS  50          2HD       LYS  50  10.122  -7.405  -2.319
  421    HE2  LYS  50          1HE       LYS  50   8.403  -7.198  -3.845
  422    HE3  LYS  50          2HE       LYS  50   8.780  -5.524  -4.207
  423    HZ1  LYS  50          1HZ       LYS  50   9.438  -7.721  -5.696
  424    HZ2  LYS  50          2HZ       LYS  50   9.915  -6.181  -5.956
  425    HZ3  LYS  50          3HZ       LYS  50  10.855  -7.192  -5.083
  426    H    TYR  51           H        TYR  51   9.817  -2.193  -0.439
  427    HA   TYR  51           HA       TYR  51   6.995  -1.554   0.066
  428    HB2  TYR  51          1HB       TYR  51   9.670  -0.080  -0.133
  429    HB3  TYR  51          2HB       TYR  51   8.188   0.827  -0.361
  430    HD1  TYR  51          1HD       TYR  51  10.284  -0.963   2.064
  431    HD2  TYR  51          2HD       TYR  51   6.640   1.208   1.506
  432    HE1  TYR  51          1HE       TYR  51  10.051  -0.694   4.582
  433    HE2  TYR  51          2HE       TYR  51   6.418   1.469   4.026
  434    HH   TYR  51           HH       TYR  51   8.075   1.509   5.982
  435    H    VAL  52           H        VAL  52   5.631  -1.164  -1.617
  436    HA   VAL  52           HA       VAL  52   6.878  -0.622  -4.220
  437    HB   VAL  52           HB       VAL  52   4.368  -2.238  -3.970
  438   HG11  VAL  52          1HG1      VAL  52   5.836  -1.246  -6.107
  439   HG12  VAL  52          2HG1      VAL  52   6.342  -2.949  -6.014
  440   HG13  VAL  52          3HG1      VAL  52   4.617  -2.540  -6.178
  441   HG21  VAL  52          1HG2      VAL  52   6.198  -4.203  -4.301
  442   HG22  VAL  52          2HG2      VAL  52   7.107  -3.114  -3.225
  443   HG23  VAL  52          3HG2      VAL  52   5.519  -3.744  -2.721
  444    H    CYS  53           H        CYS  53   6.445   1.529  -4.478
  445    HA   CYS  53           HA       CYS  53   3.819   2.466  -3.658
  446    HB2  CYS  53          1HB       CYS  53   6.043   4.210  -4.719
  447    HB3  CYS  53          2HB       CYS  53   4.692   4.659  -3.698
  448    H    CYS  54           H        CYS  54   2.379   3.479  -5.192
  449    HA   CYS  54           HA       CYS  54   3.206   3.395  -7.972
  450    HB2  CYS  54          1HB       CYS  54   0.961   2.294  -8.541
  451    HB3  CYS  54          2HB       CYS  54   2.237   1.262  -7.930
  452    H    ASN  55           H        ASN  55   2.148   5.030  -9.197
  453    HA   ASN  55           HA       ASN  55   0.700   6.903  -7.554
  454    HB2  ASN  55          1HB       ASN  55   1.103   8.496  -9.379
  455    HB3  ASN  55          2HB       ASN  55   2.603   7.656  -9.042
  456   HD21  ASN  55          1HD2      ASN  55   3.672   7.265 -10.813
  457   HD22  ASN  55          2HD2      ASN  55   3.039   6.712 -12.328
  458    H    THR  56           H        THR  56  -0.306   4.204  -8.822
  459    HA   THR  56           HA       THR  56  -2.423   5.267 -10.550
  460    HB   THR  56           HB       THR  56  -2.650   2.528 -10.602
  461    HG1  THR  56          1HG       THR  56  -0.325   1.859 -10.503
  462   HG21  THR  56          1HG2      THR  56  -0.999   4.498 -12.169
  463   HG22  THR  56          2HG2      THR  56  -0.608   2.773 -12.382
  464   HG23  THR  56          3HG2      THR  56  -2.247   3.365 -12.742
  465    H    ASP  57           H        ASP  57  -4.630   4.183 -10.263
  466    HA   ASP  57           HA       ASP  57  -5.291   4.579  -7.497
  467    HB2  ASP  57          1HB       ASP  57  -6.769   4.432 -10.110
  468    HB3  ASP  57          2HB       ASP  57  -7.673   3.995  -8.674
  469    H    ARG  58           H        ARG  58  -6.056   2.896  -6.121
  470    HA   ARG  58           HA       ARG  58  -6.220   0.872  -5.366
  471    HB2  ARG  58          1HB       ARG  58  -7.654   0.461  -8.034
  472    HB3  ARG  58          2HB       ARG  58  -7.688  -0.721  -6.742
  473    HG2  ARG  58          1HG       ARG  58  -8.867   0.757  -5.261
  474    HG3  ARG  58          2HG       ARG  58  -8.495   2.167  -6.234
  475    HD2  ARG  58          1HD       ARG  58  -9.848   0.422  -8.010
  476    HD3  ARG  58          2HD       ARG  58 -10.721   0.273  -6.498
  477    HE   ARG  58           HE       ARG  58 -10.393   3.005  -6.737
  478   HH11  ARG  58          1HH1      ARG  58 -12.858   3.834  -9.064
  479   HH12  ARG  58          2HH1      ARG  58 -11.839   4.424  -7.795
  480   HH21  ARG  58          1HH2      ARG  58 -12.756   1.603  -9.693
  481   HH22  ARG  58          2HH2      ARG  58 -11.660   0.527  -8.893
  482    H    CYS  59           H        CYS  59  -3.855   1.548  -7.197
  483    HA   CYS  59           HA       CYS  59  -3.219  -0.692  -8.730
  484    HB2  CYS  59          1HB       CYS  59  -0.838   0.199  -8.493
  485    HB3  CYS  59          2HB       CYS  59  -2.021   1.275  -9.210
  486    H    ASN  60           H        ASN  60  -2.563   0.267  -5.305
  487    HA   ASN  60           HA       ASN  60  -1.066  -2.095  -4.825
  488    HB2  ASN  60          1HB       ASN  60  -0.839  -1.249  -2.572
  489    HB3  ASN  60          2HB       ASN  60  -0.805   0.164  -3.609
  490   HD21  ASN  60          1HD2      ASN  60  -1.757  -0.615  -0.764
  491   HD22  ASN  60          2HD2      ASN  60  -3.295   0.166  -0.598
  492    H1   HOH 101          1H        HOH  61   4.596 -10.821   2.779
  493    H2   HOH 101          2H        HOH  61   3.511  -9.771   2.870
  Start of MODEL    9
    1    H1   LEU   1           H        LEU   1  -5.514  10.417  -5.088
    2    HA   LEU   1           HA       LEU   1  -6.737   8.300  -6.227
    3    HB2  LEU   1          1HB       LEU   1  -4.146   9.145  -5.785
    4    HB3  LEU   1          2HB       LEU   1  -4.187   7.584  -4.990
    5    HG   LEU   1           HG       LEU   1  -5.059   6.579  -7.112
    6   HD11  LEU   1          1HD1      LEU   1  -5.780   7.844  -8.782
    7   HD12  LEU   1          2HD1      LEU   1  -5.368   9.305  -7.853
    8   HD13  LEU   1          3HD1      LEU   1  -4.167   8.578  -8.946
    9   HD21  LEU   1          1HD2      LEU   1  -2.736   6.334  -6.571
   10   HD22  LEU   1          2HD2      LEU   1  -2.876   6.683  -8.310
   11   HD23  LEU   1          3HD2      LEU   1  -2.368   7.965  -7.184
   12    H    LYS   2           H        LYS   2  -7.093   6.058  -5.643
   13    HA   LYS   2           HA       LYS   2  -7.614   5.790  -2.766
   14    HB2  LYS   2          1HB       LYS   2  -9.008   4.473  -5.116
   15    HB3  LYS   2          2HB       LYS   2  -9.360   4.165  -3.429
   16    HG2  LYS   2          1HG       LYS   2 -10.755   5.949  -3.402
   17    HG3  LYS   2          2HG       LYS   2  -9.397   7.007  -3.734
   18    HD2  LYS   2          1HD       LYS   2 -10.271   7.444  -5.778
   19    HD3  LYS   2          2HD       LYS   2 -10.020   5.770  -6.223
   20    HE2  LYS   2          1HE       LYS   2 -12.325   5.626  -4.651
   21    HE3  LYS   2          2HE       LYS   2 -12.528   7.160  -5.473
   22    HZ1  LYS   2          1HZ       LYS   2 -12.618   4.534  -6.544
   23    HZ2  LYS   2          2HZ       LYS   2 -13.217   5.925  -7.155
   24    HZ3  LYS   2          3HZ       LYS   2 -11.656   5.521  -7.419
   25    H    CYS   3           H        CYS   3  -7.045   3.817  -1.714
   26    HA   CYS   3           HA       CYS   3  -5.314   2.082  -3.308
   27    HB2  CYS   3          1HB       CYS   3  -4.570   2.809  -0.478
   28    HB3  CYS   3          2HB       CYS   3  -3.578   2.082  -1.727
   29    H    ASN   4           H        ASN   4  -5.336  -0.149  -2.575
   30    HA   ASN   4           HA       ASN   4  -7.749  -0.763  -1.167
   31    HB2  ASN   4          1HB       ASN   4  -5.657  -2.761  -2.135
   32    HB3  ASN   4          2HB       ASN   4  -7.374  -3.037  -1.913
   33   HD21  ASN   4          1HD2      ASN   4  -5.947  -3.607  -4.253
   34   HD22  ASN   4          2HD2      ASN   4  -6.534  -2.619  -5.548
   35    H    LYS   5           H        LYS   5  -7.671  -2.451   0.660
   36    HA   LYS   5           HA       LYS   5  -5.405  -1.847   2.391
   37    HB2  LYS   5          1HB       LYS   5  -8.108  -3.088   2.986
   38    HB3  LYS   5          2HB       LYS   5  -6.864  -2.761   4.176
   39    HG2  LYS   5          1HG       LYS   5  -8.413  -0.746   2.498
   40    HG3  LYS   5          2HG       LYS   5  -8.378  -0.886   4.245
   41    HD2  LYS   5          1HD       LYS   5  -6.092   0.018   2.437
   42    HD3  LYS   5          2HD       LYS   5  -6.971   1.001   3.591
   43    HE2  LYS   5          1HE       LYS   5  -5.226  -1.406   4.308
   44    HE3  LYS   5          2HE       LYS   5  -4.748   0.272   4.477
   45    HZ1  LYS   5          1HZ       LYS   5  -6.919   0.395   5.845
   46    HZ2  LYS   5          2HZ       LYS   5  -6.715  -1.218   6.006
   47    HZ3  LYS   5          3HZ       LYS   5  -5.557  -0.193   6.529
   48    H    LEU   6           H        LEU   6  -5.182  -3.990   4.030
   49    HA   LEU   6           HA       LEU   6  -3.567  -5.712   2.711
   50    HB2  LEU   6          1HB       LEU   6  -4.029  -5.360   5.217
   51    HB3  LEU   6          2HB       LEU   6  -5.267  -6.585   5.033
   52    HG   LEU   6           HG       LEU   6  -3.707  -8.279   4.544
   53   HD11  LEU   6          1HD1      LEU   6  -2.297  -7.373   2.915
   54   HD12  LEU   6          2HD1      LEU   6  -1.773  -6.039   3.970
   55   HD13  LEU   6          3HD1      LEU   6  -1.218  -7.699   4.294
   56   HD21  LEU   6          1HD2      LEU   6  -2.088  -6.723   6.535
   57   HD22  LEU   6          2HD2      LEU   6  -3.749  -7.226   6.935
   58   HD23  LEU   6          3HD2      LEU   6  -2.525  -8.448   6.516
   59    H    VAL   7           H        VAL   7  -7.125  -6.036   3.252
   60    HA   VAL   7           HA       VAL   7  -7.071  -8.298   1.385
   61    HB   VAL   7           HB       VAL   7  -8.827  -7.502   3.678
   62   HG11  VAL   7          1HG1      VAL   7 -10.714  -8.129   2.670
   63   HG12  VAL   7          2HG1      VAL   7  -9.824  -8.455   1.163
   64   HG13  VAL   7          3HG1      VAL   7 -10.013  -9.738   2.380
   65   HG21  VAL   7          1HG2      VAL   7  -8.459 -10.312   3.422
   66   HG22  VAL   7          2HG2      VAL   7  -6.883  -9.539   3.127
   67   HG23  VAL   7          3HG2      VAL   7  -7.765  -9.211   4.638
   68    H    PRO   8           H        PRO   8  -7.051  -7.897  -0.864
   69    HA   PRO   8           HA       PRO   8  -8.026  -5.000  -1.341
   70   1HB   PRO   8          1HB       PRO   8  -8.524  -7.282  -3.225
   71   2HB   PRO   8          2HB       PRO   8  -7.585  -5.855  -3.483
   72   1HG   PRO   8          1HG       PRO   8  -6.311  -8.154  -2.923
   73   2HG   PRO   8          2HG       PRO   8  -5.780  -6.707  -2.123
   74   1HD   PRO   8          1HD       PRO   8  -7.574  -8.858  -0.974
   75   2HD   PRO   8          2HD       PRO   8  -6.199  -8.087  -0.239
   76    H    ILE   9           H        ILE   9 -10.469  -7.070  -0.189
   77    HA   ILE   9           HA       ILE   9 -12.517  -6.045  -1.949
   78    HB   ILE   9           HB       ILE   9 -12.704  -8.319  -1.331
   79   HG12  ILE   9          1HG1      ILE   9 -14.922  -8.413  -0.469
   80   HG13  ILE   9          2HG1      ILE   9 -14.742  -6.897   0.392
   81   HG21  ILE   9          1HG2      ILE   9 -11.663  -8.941   0.547
   82   HG22  ILE   9          2HG2      ILE   9 -11.882  -7.350   1.314
   83   HG23  ILE   9          3HG2      ILE   9 -13.197  -8.550   1.359
   84   HD11  ILE   9          1HD1      ILE   9 -14.540  -5.665  -1.743
   85   HD12  ILE   9          2HD1      ILE   9 -14.641  -7.196  -2.646
   86   HD13  ILE   9          3HD1      ILE   9 -16.043  -6.618  -1.715
   87    H    ALA  10           H        ALA  10 -10.715  -4.529   0.235
   88    HA   ALA  10           HA       ALA  10 -12.878  -2.756   0.956
   89    HB1  ALA  10          1HB       ALA  10 -11.118  -3.621   3.228
   90    HB2  ALA  10          2HB       ALA  10 -12.792  -3.014   3.249
   91    HB3  ALA  10          3HB       ALA  10 -12.460  -4.690   2.751
   92    H    TYR  11           H        TYR  11 -12.076  -0.889   0.124
   93    HA   TYR  11           HA       TYR  11  -9.271  -0.276   0.763
   94    HB2  TYR  11          1HB       TYR  11  -9.112   0.625  -1.509
   95    HB3  TYR  11          2HB       TYR  11  -9.894  -0.933  -1.684
   96    HD1  TYR  11          1HD       TYR  11 -12.495  -0.948  -1.769
   97    HD2  TYR  11          2HD       TYR  11 -10.123   2.563  -2.364
   98    HE1  TYR  11          1HE       TYR  11 -14.441   0.173  -2.960
   99    HE2  TYR  11          2HE       TYR  11 -12.078   3.673  -3.552
  100    HH   TYR  11           HH       TYR  11 -14.034   3.160  -4.660
  101    H    LYS  12           H        LYS  12  -8.805   2.122   0.717
  102    HA   LYS  12           HA       LYS  12 -11.195   3.708   1.282
  103    HB2  LYS  12          1HB       LYS  12  -8.761   3.525   3.083
  104    HB3  LYS  12          2HB       LYS  12 -10.049   4.702   3.251
  105    HG2  LYS  12          1HG       LYS  12 -11.706   2.922   3.622
  106    HG3  LYS  12          2HG       LYS  12 -10.515   1.684   3.278
  107    HD2  LYS  12          1HD       LYS  12  -9.272   2.160   5.284
  108    HD3  LYS  12          2HD       LYS  12 -10.086   3.697   5.520
  109    HE2  LYS  12          1HE       LYS  12 -11.510   2.596   6.911
  110    HE3  LYS  12          2HE       LYS  12 -12.211   1.872   5.477
  111    HZ1  LYS  12          1HZ       LYS  12 -10.024   0.763   7.092
  112    HZ2  LYS  12          2HZ       LYS  12 -11.540   0.171   6.955
  113    HZ3  LYS  12          3HZ       LYS  12 -10.525   0.117   5.677
  114    H    THR  13           H        THR  13 -10.120   6.149   1.760
  115    HA   THR  13           HA       THR  13  -8.756   6.677  -0.769
  116    HB   THR  13           HB       THR  13  -9.896   8.702  -0.699
  117    HG1  THR  13          1HG       THR  13  -9.654   8.403   2.214
  118   HG21  THR  13          1HG2      THR  13 -11.584   6.786   0.044
  119   HG22  THR  13          2HG2      THR  13 -11.482   7.580   1.634
  120   HG23  THR  13          3HG2      THR  13 -12.070   8.490   0.222
  121    H    CYS  14           H        CYS  14  -6.758   7.620  -0.971
  122    HA   CYS  14           HA       CYS  14  -4.974   7.166   1.130
  123    HB2  CYS  14          1HB       CYS  14  -4.555   8.913  -1.316
  124    HB3  CYS  14          2HB       CYS  14  -3.306   8.220  -0.301
  125    H    PRO  15           H        PRO  15  -4.921   7.956   3.306
  126    HA   PRO  15           HA       PRO  15  -6.666  10.570   3.343
  127   1HB   PRO  15          1HB       PRO  15  -4.987  10.413   5.554
  128   2HB   PRO  15          2HB       PRO  15  -6.401   9.449   5.317
  129   1HG   PRO  15          1HG       PRO  15  -3.486   8.754   4.762
  130   2HG   PRO  15          2HG       PRO  15  -4.734   7.767   5.457
  131   1HD   PRO  15          1HD       PRO  15  -4.078   7.451   2.846
  132   2HD   PRO  15          2HD       PRO  15  -5.712   7.220   3.399
  133    H    GLU  16           H        GLU  16  -5.677  12.422   5.038
  134    HA   GLU  16           HA       GLU  16  -4.754  14.358   3.333
  135    HB2  GLU  16          1HB       GLU  16  -4.586  14.179   6.373
  136    HB3  GLU  16          2HB       GLU  16  -4.254  15.642   5.467
  137    HG2  GLU  16          1HG       GLU  16  -6.772  14.555   4.540
  138    HG3  GLU  16          2HG       GLU  16  -6.809  14.606   6.291
  139    H    GLY  17           H        GLY  17  -2.756  14.924   2.549
  140    HA2  GLY  17          1HA       GLY  17  -0.471  15.214   2.628
  141    HA3  GLY  17          2HA       GLY  17  -0.362  14.157   4.021
  142    H    LYS  18           H        LYS  18  -1.958  11.945   2.914
  143    HA   LYS  18           HA       LYS  18   0.090  10.897   1.123
  144    HB2  LYS  18          1HB       LYS  18  -2.111   9.429   2.607
  145    HB3  LYS  18          2HB       LYS  18  -0.773   8.708   1.735
  146    HG2  LYS  18          1HG       LYS  18   0.731   9.127   3.423
  147    HG3  LYS  18          2HG       LYS  18   0.072  10.715   3.756
  148    HD2  LYS  18          1HD       LYS  18  -1.589   8.300   4.489
  149    HD3  LYS  18          2HD       LYS  18  -0.212   8.695   5.498
  150    HE2  LYS  18          1HE       LYS  18  -1.124  11.074   5.683
  151    HE3  LYS  18          2HE       LYS  18  -2.560  10.531   4.837
  152    HZ1  LYS  18          1HZ       LYS  18  -3.286   9.509   6.650
  153    HZ2  LYS  18          2HZ       LYS  18  -1.837   8.857   7.027
  154    HZ3  LYS  18          3HZ       LYS  18  -2.188  10.387   7.480
  155    H    ASN  19           H        ASN  19  -0.374  10.072  -0.939
  156    HA   ASN  19           HA       ASN  19  -3.118  10.329  -1.807
  157    HB2  ASN  19          1HB       ASN  19  -2.243  12.465  -2.524
  158    HB3  ASN  19          2HB       ASN  19  -0.713  11.764  -3.018
  159   HD21  ASN  19          1HD2      ASN  19  -0.512  11.909  -5.112
  160   HD22  ASN  19          2HD2      ASN  19  -1.702  11.535  -6.313
  161    H    LEU  20           H        LEU  20   0.306   9.356  -2.365
  162    HA   LEU  20           HA       LEU  20  -0.358   7.609  -4.536
  163    HB2  LEU  20          1HB       LEU  20   2.146   8.141  -2.945
  164    HB3  LEU  20          2HB       LEU  20   2.060   6.896  -4.175
  165    HG   LEU  20           HG       LEU  20   1.065   9.361  -5.276
  166   HD11  LEU  20          1HD1      LEU  20   3.891   9.619  -4.234
  167   HD12  LEU  20          2HD1      LEU  20   2.896  10.843  -5.060
  168   HD13  LEU  20          3HD1      LEU  20   2.479  10.323  -3.409
  169   HD21  LEU  20          1HD2      LEU  20   2.559   8.897  -7.020
  170   HD22  LEU  20          2HD2      LEU  20   3.669   8.001  -5.957
  171   HD23  LEU  20          3HD2      LEU  20   2.092   7.300  -6.391
  172    H    CYS  21           H        CYS  21  -0.022   5.246  -4.483
  173    HA   CYS  21           HA       CYS  21  -0.913   4.218  -1.900
  174    HB2  CYS  21          1HB       CYS  21  -1.082   2.904  -4.633
  175    HB3  CYS  21          2HB       CYS  21  -1.760   2.286  -3.139
  176    H    TYR  22           H        TYR  22   0.272   2.541  -0.868
  177    HA   TYR  22           HA       TYR  22   2.716   1.668  -2.234
  178    HB2  TYR  22          1HB       TYR  22   4.005   2.432  -0.388
  179    HB3  TYR  22          2HB       TYR  22   2.745   3.650  -0.385
  180    HD1  TYR  22          1HD       TYR  22   1.601   4.077   1.599
  181    HD2  TYR  22          2HD       TYR  22   3.485   0.272   1.073
  182    HE1  TYR  22          1HE       TYR  22   1.006   3.445   3.988
  183    HE2  TYR  22          2HE       TYR  22   2.883  -0.347   3.465
  184    HH   TYR  22           HH       TYR  22   1.356   2.011   5.608
  185    H    LYS  23           H        LYS  23   3.526  -0.399  -1.538
  186    HA   LYS  23           HA       LYS  23   1.724  -1.859   0.247
  187    HB2  LYS  23          1HB       LYS  23   1.722  -2.165  -2.535
  188    HB3  LYS  23          2HB       LYS  23   2.683  -3.509  -1.953
  189    HG2  LYS  23          1HG       LYS  23   0.828  -3.989  -0.255
  190    HG3  LYS  23          2HG       LYS  23  -0.141  -2.772  -1.062
  191    HD2  LYS  23          1HD       LYS  23   1.041  -5.227  -2.445
  192    HD3  LYS  23          2HD       LYS  23  -0.608  -5.121  -1.861
  193    HE2  LYS  23          1HE       LYS  23  -1.280  -3.742  -3.585
  194    HE3  LYS  23          2HE       LYS  23   0.233  -2.855  -3.611
  195    HZ1  LYS  23          1HZ       LYS  23  -0.217  -5.538  -4.721
  196    HZ2  LYS  23          2HZ       LYS  23   0.034  -4.163  -5.567
  197    HZ3  LYS  23          3HZ       LYS  23   1.239  -4.801  -4.667
  198    H    MET  24           H        MET  24   2.821  -2.889   1.837
  199    HA   MET  24           HA       MET  24   5.695  -3.122   1.425
  200    HB2  MET  24          1HB       MET  24   3.884  -2.640   3.805
  201    HB3  MET  24          2HB       MET  24   5.382  -3.496   4.107
  202    HG2  MET  24          1HG       MET  24   6.727  -1.658   3.494
  203    HG3  MET  24          2HG       MET  24   5.493  -0.959   2.464
  204    HE1  MET  24          1HE       MET  24   5.000  -1.130   7.041
  205    HE2  MET  24          2HE       MET  24   4.268  -2.329   5.948
  206    HE3  MET  24          3HE       MET  24   6.040  -2.202   6.073
  207    H    PHE  25           H        PHE  25   6.799  -5.092   1.972
  208    HA   PHE  25           HA       PHE  25   5.007  -7.367   2.434
  209    HB2  PHE  25          1HB       PHE  25   7.364  -6.947   0.511
  210    HB3  PHE  25          2HB       PHE  25   6.786  -8.554   0.905
  211    HD1  PHE  25          1HD       PHE  25   5.544  -5.286  -0.396
  212    HD2  PHE  25          2HD       PHE  25   5.134  -9.510  -0.406
  213    HE1  PHE  25          1HE       PHE  25   3.824  -5.116  -2.215
  214    HE2  PHE  25          2HE       PHE  25   3.413  -9.339  -2.226
  215    HZ   PHE  25           HZ       PHE  25   2.779  -7.143  -3.109
  216    H    MET  26           H        MET  26   6.551  -9.418   2.933
  217    HA   MET  26           HA       MET  26   8.664  -8.472   4.697
  218    HB2  MET  26          1HB       MET  26   6.450 -10.505   5.308
  219    HB3  MET  26          2HB       MET  26   7.867 -10.312   6.321
  220    HG2  MET  26          1HG       MET  26   7.271  -7.893   6.671
  221    HG3  MET  26          2HG       MET  26   5.842  -8.111   5.680
  222    HE1  MET  26          1HE       MET  26   7.895  -9.019   8.490
  223    HE2  MET  26          2HE       MET  26   6.749  -8.648   9.801
  224    HE3  MET  26          3HE       MET  26   7.052 -10.339   9.335
  225    H    MET  27           H        MET  27  10.246 -10.241   5.302
  226    HA   MET  27           HA       MET  27  11.151 -11.509   3.053
  227    HB2  MET  27          1HB       MET  27  11.631 -11.743   6.034
  228    HB3  MET  27          2HB       MET  27  12.330 -12.982   5.011
  229    HG2  MET  27          1HG       MET  27  12.716 -10.091   4.218
  230    HG3  MET  27          2HG       MET  27  13.660 -10.715   5.554
  231    HE1  MET  27          1HE       MET  27  14.678 -10.580   1.509
  232    HE2  MET  27          2HE       MET  27  13.247 -11.625   1.337
  233    HE3  MET  27          3HE       MET  27  13.131 -10.099   2.245
  234    H    SER  28           H        SER  28   8.486 -12.357   5.061
  235    HA   SER  28           HA       SER  28   8.663 -15.125   4.967
  236    HB2  SER  28          1HB       SER  28   7.137 -14.020   6.501
  237    HB3  SER  28          2HB       SER  28   6.285 -13.235   5.186
  238    HG   SER  28           HG       SER  28   6.367 -16.024   4.932
  239    H    ASP  29           H        ASP  29   7.041 -12.705   2.809
  240    HA   ASP  29           HA       ASP  29   7.424 -14.421   0.599
  241    HB2  ASP  29          1HB       ASP  29   4.761 -14.128   0.151
  242    HB3  ASP  29          2HB       ASP  29   5.446 -15.555   0.900
  243    H    LEU  30           H        LEU  30   8.358 -12.642  -0.506
  244    HA   LEU  30           HA       LEU  30   7.227 -10.038  -0.329
  245    HB2  LEU  30          1HB       LEU  30   9.368 -11.218  -2.100
  246    HB3  LEU  30          2HB       LEU  30   8.935  -9.519  -2.069
  247    HG   LEU  30           HG       LEU  30   9.892 -11.013   0.380
  248   HD11  LEU  30          1HD1      LEU  30  12.108 -10.057  -0.018
  249   HD12  LEU  30          2HD1      LEU  30  11.623 -11.144  -1.341
  250   HD13  LEU  30          3HD1      LEU  30  11.546  -9.380  -1.565
  251   HD21  LEU  30          1HD2      LEU  30   8.847  -8.373  -0.075
  252   HD22  LEU  30          2HD2      LEU  30   9.336  -9.153   1.449
  253   HD23  LEU  30          3HD2      LEU  30  10.536  -8.269   0.476
  254    H    THR  31           H        THR  31   6.441 -12.890  -2.075
  255    HA   THR  31           HA       THR  31   5.483 -11.592  -4.443
  256    HB   THR  31           HB       THR  31   4.728 -13.861  -4.991
  257    HG1  THR  31          1HG       THR  31   4.741 -15.413  -3.182
  258   HG21  THR  31          1HG2      THR  31   6.859 -14.664  -5.186
  259   HG22  THR  31          2HG2      THR  31   7.408 -13.334  -4.139
  260   HG23  THR  31          3HG2      THR  31   6.959 -14.901  -3.425
  261    H    ILE  32           H        ILE  32   4.313 -11.996  -1.196
  262    HA   ILE  32           HA       ILE  32   1.754 -10.906  -2.101
  263    HB   ILE  32           HB       ILE  32   1.748 -12.852   0.152
  264   HG12  ILE  32          1HG1      ILE  32   1.773 -13.692  -2.763
  265   HG13  ILE  32          2HG1      ILE  32   3.035 -14.018  -1.592
  266   HG21  ILE  32          1HG2      ILE  32  -0.491 -12.928  -0.200
  267   HG22  ILE  32          2HG2      ILE  32  -0.177 -11.324  -0.904
  268   HG23  ILE  32          3HG2      ILE  32  -0.339 -12.744  -1.964
  269   HD11  ILE  32          1HD1      ILE  32   0.185 -15.079  -1.605
  270   HD12  ILE  32          2HD1      ILE  32   1.705 -16.004  -1.652
  271   HD13  ILE  32          3HD1      ILE  32   1.217 -15.167  -0.157
  272    H    PRO  33           H        PRO  33   1.091  -8.842  -1.478
  273    HA   PRO  33           HA       PRO  33   3.081  -7.904   0.803
  274   1HB   PRO  33          1HB       PRO  33   0.763  -6.395   0.760
  275   2HB   PRO  33          2HB       PRO  33   2.017  -6.288  -0.421
  276   1HG   PRO  33          1HG       PRO  33  -0.615  -7.818  -0.541
  277   2HG   PRO  33          2HG       PRO  33   0.172  -6.899  -1.784
  278   1HD   PRO  33          1HD       PRO  33   0.386  -9.620  -1.735
  279   2HD   PRO  33          2HD       PRO  33   1.643  -8.607  -2.381
  280    H    VAL  34           H        VAL  34   2.674  -6.884   2.904
  281    HA   VAL  34           HA       VAL  34   0.983  -8.615   4.572
  282    HB   VAL  34           HB       VAL  34   3.749  -7.875   4.724
  283   HG11  VAL  34          1HG1      VAL  34   3.750  -7.254   7.179
  284   HG12  VAL  34          2HG1      VAL  34   3.195  -5.982   6.065
  285   HG13  VAL  34          3HG1      VAL  34   2.011  -6.914   7.013
  286   HG21  VAL  34          1HG2      VAL  34   2.214 -10.042   5.310
  287   HG22  VAL  34          2HG2      VAL  34   3.887  -9.816   5.877
  288   HG23  VAL  34          3HG2      VAL  34   2.522  -9.405   6.943
  289    H    LYS  35           H        LYS  35   1.922  -5.322   3.611
  290    HA   LYS  35           HA       LYS  35  -0.358  -4.353   5.179
  291    HB2  LYS  35          1HB       LYS  35   2.261  -2.858   4.895
  292    HB3  LYS  35          2HB       LYS  35   0.863  -2.385   5.839
  293    HG2  LYS  35          1HG       LYS  35   1.559  -5.047   6.662
  294    HG3  LYS  35          2HG       LYS  35   3.050  -4.129   6.599
  295    HD2  LYS  35          1HD       LYS  35   2.487  -3.284   8.631
  296    HD3  LYS  35          2HD       LYS  35   1.270  -2.334   7.803
  297    HE2  LYS  35          1HE       LYS  35  -0.427  -4.069   8.163
  298    HE3  LYS  35          2HE       LYS  35   0.772  -5.178   8.796
  299    HZ1  LYS  35          1HZ       LYS  35  -0.651  -3.263  10.181
  300    HZ2  LYS  35          2HZ       LYS  35   0.486  -4.279  10.767
  301    HZ3  LYS  35          3HZ       LYS  35   0.915  -2.798  10.227
  302    H    ARG  36           H        ARG  36  -1.524  -2.598   4.213
  303    HA   ARG  36           HA       ARG  36  -0.649  -1.883   1.559
  304    HB2  ARG  36          1HB       ARG  36  -3.290  -3.240   2.240
  305    HB3  ARG  36          2HB       ARG  36  -3.150  -2.219   0.823
  306    HG2  ARG  36          1HG       ARG  36  -0.899  -3.807   0.556
  307    HG3  ARG  36          2HG       ARG  36  -2.010  -4.924   1.326
  308    HD2  ARG  36          1HD       ARG  36  -3.686  -3.845  -0.551
  309    HD3  ARG  36          2HD       ARG  36  -2.158  -3.669  -1.392
  310    HE   ARG  36           HE       ARG  36  -2.223  -6.301  -0.322
  311   HH11  ARG  36          1HH1      ARG  36  -3.706  -7.879  -3.060
  312   HH12  ARG  36          2HH1      ARG  36  -2.783  -8.104  -1.611
  313   HH21  ARG  36          1HH2      ARG  36  -4.373  -5.749  -3.691
  314   HH22  ARG  36          2HH2      ARG  36  -3.949  -4.383  -2.716
  315    H    GLY  37           H        GLY  37  -0.635   0.344   1.610
  316    HA2  GLY  37          1HA       GLY  37  -3.003   1.756   2.509
  317    HA3  GLY  37          2HA       GLY  37  -1.570   2.014   3.486
  318    H    CYS  38           H        CYS  38  -2.006   4.319   2.635
  319    HA   CYS  38           HA       CYS  38  -0.777   4.605  -0.008
  320    HB2  CYS  38          1HB       CYS  38  -2.748   6.412   1.426
  321    HB3  CYS  38          2HB       CYS  38  -1.892   6.868  -0.033
  322    H    ILE  39           H        ILE  39   0.550   6.738  -0.170
  323    HA   ILE  39           HA       ILE  39   1.559   7.743   2.323
  324    HB   ILE  39           HB       ILE  39   2.778   5.595   2.000
  325   HG12  ILE  39          1HG1      ILE  39   4.896   7.644   1.733
  326   HG13  ILE  39          2HG1      ILE  39   3.668   8.004   2.929
  327   HG21  ILE  39          1HG2      ILE  39   4.031   6.986  -0.384
  328   HG22  ILE  39          2HG2      ILE  39   4.443   5.381   0.266
  329   HG23  ILE  39          3HG2      ILE  39   2.849   5.657  -0.476
  330   HD11  ILE  39          1HD1      ILE  39   5.218   5.379   2.760
  331   HD12  ILE  39          2HD1      ILE  39   5.550   6.699   3.905
  332   HD13  ILE  39          3HD1      ILE  39   4.016   5.801   4.002
  333    H    ASP  40           H        ASP  40   3.162   9.546   1.910
  334    HA   ASP  40           HA       ASP  40   2.206  10.984  -0.372
  335    HB2  ASP  40          1HB       ASP  40   3.592  12.854   0.620
  336    HB3  ASP  40          2HB       ASP  40   2.375  12.213   1.705
  337    H    VAL  41           H        VAL  41   5.283   9.670   1.011
  338    HA   VAL  41           HA       VAL  41   6.491   9.979  -1.647
  339    HB   VAL  41           HB       VAL  41   7.719  10.490   1.067
  340   HG11  VAL  41          1HG1      VAL  41   9.735   9.998   0.256
  341   HG12  VAL  41          2HG1      VAL  41   8.976   9.431  -1.252
  342   HG13  VAL  41          3HG1      VAL  41   9.492  11.128  -1.098
  343   HG21  VAL  41          1HG2      VAL  41   6.297  12.238  -0.374
  344   HG22  VAL  41          2HG2      VAL  41   7.734  12.718   0.558
  345   HG23  VAL  41          3HG2      VAL  41   7.864  12.434  -1.194
  346    H    CYS  42           H        CYS  42   7.694   8.211  -2.391
  347    HA   CYS  42           HA       CYS  42   6.980   5.735  -1.333
  348    HB2  CYS  42          1HB       CYS  42   7.695   6.327  -3.730
  349    HB3  CYS  42          2HB       CYS  42   9.347   6.205  -3.157
  350    H    PRO  43           H        PRO  43   7.285   4.726   0.727
  351    HA   PRO  43           HA       PRO  43  10.127   5.573   1.884
  352   1HB   PRO  43          1HB       PRO  43   8.845   2.920   2.304
  353   2HB   PRO  43          2HB       PRO  43   9.173   4.162   3.458
  354   1HG   PRO  43          1HG       PRO  43   6.639   3.788   2.596
  355   2HG   PRO  43          2HG       PRO  43   7.228   5.409   2.786
  356   1HD   PRO  43          1HD       PRO  43   7.085   3.836   0.196
  357   2HD   PRO  43          2HD       PRO  43   6.496   5.441   0.514
  358    H    LYS  44           H        LYS  44  11.851   4.016   2.663
  359    HA   LYS  44           HA       LYS  44  13.323   3.158   0.389
  360    HB2  LYS  44          1HB       LYS  44  13.815   3.031   3.372
  361    HB3  LYS  44          2HB       LYS  44  14.945   2.385   2.199
  362    HG2  LYS  44          1HG       LYS  44  13.942   5.189   1.749
  363    HG3  LYS  44          2HG       LYS  44  15.073   4.942   3.064
  364    HD2  LYS  44          1HD       LYS  44  15.917   3.528   0.623
  365    HD3  LYS  44          2HD       LYS  44  15.719   5.244   0.340
  366    HE2  LYS  44          1HE       LYS  44  17.196   4.364   2.827
  367    HE3  LYS  44          2HE       LYS  44  18.023   4.251   1.285
  368    HZ1  LYS  44          1HZ       LYS  44  16.662   6.725   1.657
  369    HZ2  LYS  44          2HZ       LYS  44  17.828   6.467   2.769
  370    HZ3  LYS  44          3HZ       LYS  44  18.197   6.446   1.178
  371    H    ASN  45           H        ASN  45  14.576   0.791   1.234
  372    HA   ASN  45           HA       ASN  45  12.456  -1.082   1.731
  373    HB2  ASN  45          1HB       ASN  45  14.227  -1.418  -0.738
  374    HB3  ASN  45          2HB       ASN  45  12.847  -2.401  -0.288
  375   HD21  ASN  45          1HD2      ASN  45  13.753   0.973  -0.952
  376   HD22  ASN  45          2HD2      ASN  45  12.313   1.428  -1.801
  377    H    SER  46           H        SER  46  13.319  -3.014   2.703
  378    HA   SER  46           HA       SER  46  16.230  -3.075   2.859
  379    HB2  SER  46          1HB       SER  46  16.023  -3.899   5.183
  380    HB3  SER  46          2HB       SER  46  15.288  -2.319   5.006
  381    HG   SER  46           HG       SER  46  13.201  -3.575   4.656
  382    H    LEU  47           H        LEU  47  16.750  -5.482   3.979
  383    HA   LEU  47           HA       LEU  47  15.709  -7.308   1.998
  384    HB2  LEU  47          1HB       LEU  47  17.750  -7.841   4.151
  385    HB3  LEU  47          2HB       LEU  47  17.458  -8.770   2.695
  386    HG   LEU  47           HG       LEU  47  18.067  -6.112   1.875
  387   HD11  LEU  47          1HD1      LEU  47  19.145  -6.407   4.368
  388   HD12  LEU  47          2HD1      LEU  47  20.477  -6.968   3.329
  389   HD13  LEU  47          3HD1      LEU  47  19.785  -5.345   3.091
  390   HD21  LEU  47          1HD2      LEU  47  18.481  -8.457   0.830
  391   HD22  LEU  47          2HD2      LEU  47  19.640  -7.142   0.527
  392   HD23  LEU  47          3HD2      LEU  47  20.014  -8.396   1.732
  393    H    LEU  48           H        LEU  48  14.455  -6.124   4.769
  394    HA   LEU  48           HA       LEU  48  13.502  -8.744   5.680
  395    HB2  LEU  48          1HB       LEU  48  13.418  -6.098   7.131
  396    HB3  LEU  48          2HB       LEU  48  12.954  -7.661   7.768
  397    HG   LEU  48           HG       LEU  48  15.757  -7.317   6.773
  398   HD11  LEU  48          1HD1      LEU  48  16.448  -5.878   8.329
  399   HD12  LEU  48          2HD1      LEU  48  14.732  -5.453   8.535
  400   HD13  LEU  48          3HD1      LEU  48  15.483  -6.658   9.607
  401   HD21  LEU  48          1HD2      LEU  48  14.609  -9.476   7.690
  402   HD22  LEU  48          2HD2      LEU  48  16.270  -9.067   8.187
  403   HD23  LEU  48          3HD2      LEU  48  14.905  -8.731   9.280
  404    H    VAL  49           H        VAL  49  12.485  -5.372   4.846
  405    HA   VAL  49           HA       VAL  49   9.876  -6.515   4.138
  406    HB   VAL  49           HB       VAL  49   9.290  -5.410   6.047
  407   HG11  VAL  49          1HG1      VAL  49  11.494  -4.594   6.665
  408   HG12  VAL  49          2HG1      VAL  49  11.397  -3.311   5.436
  409   HG13  VAL  49          3HG1      VAL  49  10.299  -3.285   6.838
  410   HG21  VAL  49          1HG2      VAL  49   8.066  -4.462   4.101
  411   HG22  VAL  49          2HG2      VAL  49   8.189  -3.330   5.468
  412   HG23  VAL  49          3HG2      VAL  49   9.240  -3.126   4.047
  413    H    LYS  50           H        LYS  50   8.861  -5.576   2.287
  414    HA   LYS  50           HA       LYS  50  10.731  -3.979   0.679
  415    HB2  LYS  50          1HB       LYS  50  10.173  -6.381  -0.035
  416    HB3  LYS  50          2HB       LYS  50   8.568  -5.788  -0.411
  417    HG2  LYS  50          1HG       LYS  50   9.283  -4.791  -2.326
  418    HG3  LYS  50          2HG       LYS  50  10.606  -3.988  -1.502
  419    HD2  LYS  50          1HD       LYS  50  11.510  -6.603  -1.529
  420    HD3  LYS  50          2HD       LYS  50  10.596  -6.551  -3.023
  421    HE2  LYS  50          1HE       LYS  50  12.452  -5.609  -3.952
  422    HE3  LYS  50          2HE       LYS  50  11.986  -4.140  -3.120
  423    HZ1  LYS  50          1HZ       LYS  50  14.262  -5.522  -2.719
  424    HZ2  LYS  50          2HZ       LYS  50  13.669  -4.368  -1.727
  425    HZ3  LYS  50          3HZ       LYS  50  13.363  -5.943  -1.422
  426    H    TYR  51           H        TYR  51   9.690  -2.424  -0.849
  427    HA   TYR  51           HA       TYR  51   7.042  -1.566   0.061
  428    HB2  TYR  51          1HB       TYR  51   9.741  -0.143   0.002
  429    HB3  TYR  51          2HB       TYR  51   8.306   0.815  -0.309
  430    HD1  TYR  51          1HD       TYR  51   6.955   1.594   1.471
  431    HD2  TYR  51          2HD       TYR  51   9.891  -1.427   2.216
  432    HE1  TYR  51          1HE       TYR  51   6.583   1.842   3.974
  433    HE2  TYR  51          2HE       TYR  51   9.510  -1.170   4.716
  434    HH   TYR  51           HH       TYR  51   7.370  -0.331   6.132
  435    H    VAL  52           H        VAL  52   5.703  -1.208  -1.640
  436    HA   VAL  52           HA       VAL  52   6.973  -0.502  -4.191
  437    HB   VAL  52           HB       VAL  52   4.520  -2.216  -4.057
  438   HG11  VAL  52          1HG1      VAL  52   6.798  -2.126  -6.060
  439   HG12  VAL  52          2HG1      VAL  52   5.228  -2.947  -6.240
  440   HG13  VAL  52          3HG1      VAL  52   5.303  -1.169  -6.194
  441   HG21  VAL  52          1HG2      VAL  52   6.079  -4.216  -4.278
  442   HG22  VAL  52          2HG2      VAL  52   7.375  -3.151  -3.680
  443   HG23  VAL  52          3HG2      VAL  52   5.956  -3.487  -2.659
  444    H    CYS  53           H        CYS  53   6.376   1.541  -4.679
  445    HA   CYS  53           HA       CYS  53   3.749   2.405  -3.737
  446    HB2  CYS  53          1HB       CYS  53   5.898   4.247  -4.787
  447    HB3  CYS  53          2HB       CYS  53   4.537   4.628  -3.753
  448    H    CYS  54           H        CYS  54   2.301   3.458  -5.265
  449    HA   CYS  54           HA       CYS  54   3.117   3.363  -8.047
  450    HB2  CYS  54          1HB       CYS  54   0.857   2.266  -8.598
  451    HB3  CYS  54          2HB       CYS  54   2.145   1.236  -8.005
  452    H    ASN  55           H        ASN  55   1.989   4.953  -9.303
  453    HA   ASN  55           HA       ASN  55   0.579   6.854  -7.651
  454    HB2  ASN  55          1HB       ASN  55   0.954   8.429  -9.502
  455    HB3  ASN  55          2HB       ASN  55   2.460   7.600  -9.167
  456   HD21  ASN  55          1HD2      ASN  55   3.511   7.223 -10.952
  457   HD22  ASN  55          2HD2      ASN  55   2.869   6.637 -12.452
  458    H    THR  56           H        THR  56  -0.416   4.135  -8.920
  459    HA   THR  56           HA       THR  56  -2.567   5.183 -10.611
  460    HB   THR  56           HB       THR  56  -2.771   2.436 -10.643
  461    HG1  THR  56          1HG       THR  56  -0.590   1.674 -10.389
  462   HG21  THR  56          1HG2      THR  56  -1.052   4.363 -12.237
  463   HG22  THR  56          2HG2      THR  56  -0.892   2.614 -12.523
  464   HG23  THR  56          3HG2      THR  56  -2.461   3.418 -12.775
  465    H    ASP  57           H        ASP  57  -4.768   4.122 -10.291
  466    HA   ASP  57           HA       ASP  57  -5.397   4.512  -7.524
  467    HB2  ASP  57          1HB       ASP  57  -6.899   4.333 -10.119
  468    HB3  ASP  57          2HB       ASP  57  -7.784   3.878  -8.677
  469    H    ARG  58           H        ARG  58  -6.152   2.840  -6.124
  470    HA   ARG  58           HA       ARG  58  -6.275   0.822  -5.343
  471    HB2  ARG  58          1HB       ARG  58  -7.737   0.387  -7.993
  472    HB3  ARG  58          2HB       ARG  58  -7.726  -0.811  -6.713
  473    HG2  ARG  58          1HG       ARG  58  -9.134   0.417  -5.350
  474    HG3  ARG  58          2HG       ARG  58  -8.459   1.955  -5.851
  475    HD2  ARG  58          1HD       ARG  58 -10.667   1.939  -6.771
  476    HD3  ARG  58          2HD       ARG  58  -9.622   1.576  -8.131
  477    HE   ARG  58           HE       ARG  58 -10.586  -0.801  -6.691
  478   HH11  ARG  58          1HH1      ARG  58 -12.673  -1.734  -9.329
  479   HH12  ARG  58          2HH1      ARG  58 -11.956  -2.231  -7.832
  480   HH21  ARG  58          1HH2      ARG  58 -12.241   0.384 -10.174
  481   HH22  ARG  58          2HH2      ARG  58 -11.202   1.466  -9.310
  482    H    CYS  59           H        CYS  59  -3.932   1.505  -7.193
  483    HA   CYS  59           HA       CYS  59  -3.281  -0.751  -8.702
  484    HB2  CYS  59          1HB       CYS  59  -0.918   0.177  -8.529
  485    HB3  CYS  59          2HB       CYS  59  -2.128   1.246  -9.213
  486    H    ASN  60           H        ASN  60  -2.899   0.168  -5.262
  487    HA   ASN  60           HA       ASN  60  -1.271  -2.143  -4.767
  488    HB2  ASN  60          1HB       ASN  60  -1.023  -1.258  -2.535
  489    HB3  ASN  60          2HB       ASN  60  -0.999   0.140  -3.592
  490   HD21  ASN  60          1HD2      ASN  60  -1.909  -0.566  -0.726
  491   HD22  ASN  60          2HD2      ASN  60  -3.451   0.208  -0.559
  492    H1   HOH 101          1H        HOH  61   4.936 -11.215   2.525
  493    H2   HOH 101          2H        HOH  61   3.901 -10.124   2.701
  Start of MODEL   10
    1    H1   LEU   1           H        LEU   1  -5.465  10.444  -4.526
    2    HA   LEU   1           HA       LEU   1  -6.915   8.553  -6.034
    3    HB2  LEU   1          1HB       LEU   1  -4.432   9.239  -6.116
    4    HB3  LEU   1          2HB       LEU   1  -4.211   8.101  -4.803
    5    HG   LEU   1           HG       LEU   1  -5.637   6.635  -6.691
    6   HD11  LEU   1          1HD1      LEU   1  -4.789   6.988  -8.819
    7   HD12  LEU   1          2HD1      LEU   1  -5.061   8.644  -8.226
    8   HD13  LEU   1          3HD1      LEU   1  -3.418   7.958  -8.228
    9   HD21  LEU   1          1HD2      LEU   1  -3.161   6.543  -5.316
   10   HD22  LEU   1          2HD2      LEU   1  -4.029   5.219  -6.129
   11   HD23  LEU   1          3HD2      LEU   1  -2.830   6.181  -7.026
   12    H    LYS   2           H        LYS   2  -7.105   6.204  -5.515
   13    HA   LYS   2           HA       LYS   2  -7.662   5.885  -2.647
   14    HB2  LYS   2          1HB       LYS   2  -9.061   4.673  -5.048
   15    HB3  LYS   2          2HB       LYS   2  -9.366   4.207  -3.387
   16    HG2  LYS   2          1HG       LYS   2 -10.615   6.071  -2.970
   17    HG3  LYS   2          2HG       LYS   2  -9.449   7.133  -3.735
   18    HD2  LYS   2          1HD       LYS   2 -10.741   7.279  -5.591
   19    HD3  LYS   2          2HD       LYS   2 -10.688   5.540  -5.803
   20    HE2  LYS   2          1HE       LYS   2 -12.911   5.514  -5.321
   21    HE3  LYS   2          2HE       LYS   2 -12.476   5.869  -3.661
   22    HZ1  LYS   2          1HZ       LYS   2 -12.773   8.133  -4.027
   23    HZ2  LYS   2          2HZ       LYS   2 -12.777   7.993  -5.654
   24    HZ3  LYS   2          3HZ       LYS   2 -14.044   7.440  -4.784
   25    H    CYS   3           H        CYS   3  -7.125   3.846  -1.664
   26    HA   CYS   3           HA       CYS   3  -5.369   2.179  -3.294
   27    HB2  CYS   3          1HB       CYS   3  -4.619   2.911  -0.459
   28    HB3  CYS   3          2HB       CYS   3  -3.637   2.127  -1.681
   29    H    ASN   4           H        ASN   4  -5.384  -0.066  -2.618
   30    HA   ASN   4           HA       ASN   4  -7.786  -0.735  -1.235
   31    HB2  ASN   4          1HB       ASN   4  -5.632  -2.690  -2.160
   32    HB3  ASN   4          2HB       ASN   4  -7.347  -2.997  -1.980
   33   HD21  ASN   4          1HD2      ASN   4  -6.038  -3.630  -4.283
   34   HD22  ASN   4          2HD2      ASN   4  -6.547  -2.614  -5.591
   35    H    LYS   5           H        LYS   5  -7.701  -2.450   0.578
   36    HA   LYS   5           HA       LYS   5  -5.494  -1.795   2.365
   37    HB2  LYS   5          1HB       LYS   5  -8.179  -3.106   2.892
   38    HB3  LYS   5          2HB       LYS   5  -6.971  -2.752   4.113
   39    HG2  LYS   5          1HG       LYS   5  -8.489  -0.754   2.382
   40    HG3  LYS   5          2HG       LYS   5  -8.577  -0.932   4.123
   41    HD2  LYS   5          1HD       LYS   5  -6.208   0.084   2.493
   42    HD3  LYS   5          2HD       LYS   5  -7.172   0.995   3.640
   43    HE2  LYS   5          1HE       LYS   5  -6.370  -0.973   5.311
   44    HE3  LYS   5          2HE       LYS   5  -5.047  -1.078   4.165
   45    HZ1  LYS   5          1HZ       LYS   5  -5.746   1.087   5.942
   46    HZ2  LYS   5          2HZ       LYS   5  -4.273   0.536   5.501
   47    HZ3  LYS   5          3HZ       LYS   5  -5.117   1.506   4.493
   48    H    LEU   6           H        LEU   6  -5.321  -3.972   4.007
   49    HA   LEU   6           HA       LEU   6  -3.607  -5.636   2.723
   50    HB2  LEU   6          1HB       LEU   6  -4.138  -5.323   5.213
   51    HB3  LEU   6          2HB       LEU   6  -5.367  -6.550   4.987
   52    HG   LEU   6           HG       LEU   6  -3.772  -8.228   4.488
   53   HD11  LEU   6          1HD1      LEU   6  -2.306  -7.165   2.964
   54   HD12  LEU   6          2HD1      LEU   6  -1.780  -5.976   4.179
   55   HD13  LEU   6          3HD1      LEU   6  -1.305  -7.684   4.340
   56   HD21  LEU   6          1HD2      LEU   6  -3.077  -8.506   6.589
   57   HD22  LEU   6          2HD2      LEU   6  -2.069  -7.039   6.546
   58   HD23  LEU   6          3HD2      LEU   6  -3.805  -6.914   6.914
   59    H    VAL   7           H        VAL   7  -7.171  -6.053   3.158
   60    HA   VAL   7           HA       VAL   7  -7.020  -8.348   1.349
   61    HB   VAL   7           HB       VAL   7  -8.883  -7.420   3.485
   62   HG11  VAL   7          1HG1      VAL   7 -10.498  -9.248   2.540
   63   HG12  VAL   7          2HG1      VAL   7 -10.550  -7.597   1.879
   64   HG13  VAL   7          3HG1      VAL   7  -9.706  -8.887   0.988
   65   HG21  VAL   7          1HG2      VAL   7  -7.004  -9.268   3.560
   66   HG22  VAL   7          2HG2      VAL   7  -8.561  -9.521   4.385
   67   HG23  VAL   7          3HG2      VAL   7  -8.260 -10.275   2.802
   68    H    PRO   8           H        PRO   8  -6.855  -8.127  -0.915
   69    HA   PRO   8           HA       PRO   8  -7.635  -5.223  -1.643
   70   1HB   PRO   8          1HB       PRO   8  -8.116  -7.597  -3.413
   71   2HB   PRO   8          2HB       PRO   8  -7.087  -6.239  -3.688
   72   1HG   PRO   8          1HG       PRO   8  -5.978  -8.552  -2.892
   73   2HG   PRO   8          2HG       PRO   8  -5.433  -7.083  -2.143
   74   1HD   PRO   8          1HD       PRO   8  -7.419  -9.065  -1.006
   75   2HD   PRO   8          2HD       PRO   8  -6.060  -8.320  -0.216
   76    H    ILE   9           H        ILE   9 -10.261  -7.118  -0.573
   77    HA   ILE   9           HA       ILE   9 -12.099  -5.931  -2.496
   78    HB   ILE   9           HB       ILE   9 -12.456  -8.228  -2.176
   79   HG12  ILE   9          1HG1      ILE   9 -14.434  -6.436  -1.840
   80   HG13  ILE   9          2HG1      ILE   9 -14.693  -8.169  -1.891
   81   HG21  ILE   9          1HG2      ILE   9 -11.247  -8.779  -0.244
   82   HG22  ILE   9          2HG2      ILE   9 -12.182  -7.654   0.772
   83   HG23  ILE   9          3HG2      ILE   9 -12.942  -9.143   0.162
   84   HD11  ILE   9          1HD1      ILE   9 -15.638  -6.680   0.124
   85   HD12  ILE   9          2HD1      ILE   9 -15.047  -8.336   0.404
   86   HD13  ILE   9          3HD1      ILE   9 -14.001  -6.945   0.772
   87    H    ALA  10           H        ALA  10 -10.483  -4.532  -0.227
   88    HA   ALA  10           HA       ALA  10 -12.717  -2.918   0.623
   89    HB1  ALA  10          1HB       ALA  10 -12.859  -3.666   2.737
   90    HB2  ALA  10          2HB       ALA  10 -11.750  -4.988   2.305
   91    HB3  ALA  10          3HB       ALA  10 -11.104  -3.466   2.963
   92    H    TYR  11           H        TYR  11 -11.959  -1.027  -0.232
   93    HA   TYR  11           HA       TYR  11  -9.205  -0.297   0.508
   94    HB2  TYR  11          1HB       TYR  11  -9.060   0.700  -1.721
   95    HB3  TYR  11          2HB       TYR  11  -9.780  -0.878  -1.971
   96    HD1  TYR  11          1HD       TYR  11 -10.179   2.666  -2.407
   97    HD2  TYR  11          2HD       TYR  11 -12.337  -1.022  -2.186
   98    HE1  TYR  11          1HE       TYR  11 -12.164   3.748  -3.570
   99    HE2  TYR  11          2HE       TYR  11 -14.314   0.073  -3.348
  100    HH   TYR  11           HH       TYR  11 -15.010   2.891  -3.443
  101    H    LYS  12           H        LYS  12  -8.839   2.091   0.643
  102    HA   LYS  12           HA       LYS  12 -11.302   3.568   1.185
  103    HB2  LYS  12          1HB       LYS  12  -8.946   3.348   3.084
  104    HB3  LYS  12          2HB       LYS  12 -10.269   4.486   3.256
  105    HG2  LYS  12          1HG       LYS  12 -11.894   2.689   3.510
  106    HG3  LYS  12          2HG       LYS  12 -10.715   1.474   3.056
  107    HD2  LYS  12          1HD       LYS  12  -9.459   1.777   5.094
  108    HD3  LYS  12          2HD       LYS  12 -10.292   3.271   5.479
  109    HE2  LYS  12          1HE       LYS  12 -11.939   2.146   6.563
  110    HE3  LYS  12          2HE       LYS  12 -12.257   1.152   5.156
  111    HZ1  LYS  12          1HZ       LYS  12  -9.852   0.376   6.380
  112    HZ2  LYS  12          2HZ       LYS  12 -11.061   0.365   7.477
  113    HZ3  LYS  12          3HZ       LYS  12 -11.196  -0.510   6.105
  114    H    THR  13           H        THR  13 -10.149   5.983   1.978
  115    HA   THR  13           HA       THR  13  -8.889   6.764  -0.533
  116    HB   THR  13           HB       THR  13  -9.920   8.811  -0.135
  117    HG1  THR  13          1HG       THR  13  -8.743   9.432   1.711
  118   HG21  THR  13          1HG2      THR  13 -11.654   6.884   0.462
  119   HG22  THR  13          2HG2      THR  13 -11.422   7.460   2.131
  120   HG23  THR  13          3HG2      THR  13 -12.045   8.569   0.886
  121    H    CYS  14           H        CYS  14  -6.876   7.698  -0.740
  122    HA   CYS  14           HA       CYS  14  -4.974   6.881   1.129
  123    HB2  CYS  14          1HB       CYS  14  -4.718   8.935  -1.093
  124    HB3  CYS  14          2HB       CYS  14  -3.383   8.201  -0.229
  125    H    PRO  15           H        PRO  15  -4.765   7.321   3.405
  126    HA   PRO  15           HA       PRO  15  -6.517   9.872   3.929
  127   1HB   PRO  15          1HB       PRO  15  -4.743   9.382   6.018
  128   2HB   PRO  15          2HB       PRO  15  -6.165   8.458   5.689
  129   1HG   PRO  15          1HG       PRO  15  -3.275   7.888   4.911
  130   2HG   PRO  15          2HG       PRO  15  -4.489   6.790   5.485
  131   1HD   PRO  15          1HD       PRO  15  -3.942   6.901   2.838
  132   2HD   PRO  15          2HD       PRO  15  -5.553   6.577   3.408
  133    H    GLU  16           H        GLU  16  -5.482  11.443   5.862
  134    HA   GLU  16           HA       GLU  16  -4.650  13.643   4.465
  135    HB2  GLU  16          1HB       GLU  16  -4.283  12.999   7.424
  136    HB3  GLU  16          2HB       GLU  16  -4.110  14.599   6.730
  137    HG2  GLU  16          1HG       GLU  16  -6.600  13.709   5.753
  138    HG3  GLU  16          2HG       GLU  16  -6.561  13.111   7.399
  139    H    GLY  17           H        GLY  17  -2.717  14.256   3.590
  140    HA2  GLY  17          1HA       GLY  17  -0.472  14.501   3.377
  141    HA3  GLY  17          2HA       GLY  17  -0.228  13.624   4.875
  142    H    LYS  18           H        LYS  18  -2.231  12.282   2.249
  143    HA   LYS  18           HA       LYS  18  -0.034  10.695   1.249
  144    HB2  LYS  18          1HB       LYS  18  -2.338   9.470   2.786
  145    HB3  LYS  18          2HB       LYS  18  -1.326   8.560   1.682
  146    HG2  LYS  18          1HG       LYS  18  -0.104   8.200   3.611
  147    HG3  LYS  18          2HG       LYS  18   0.649   9.706   3.121
  148    HD2  LYS  18          1HD       LYS  18  -0.165  10.811   4.935
  149    HD3  LYS  18          2HD       LYS  18  -1.794  10.233   4.647
  150    HE2  LYS  18          1HE       LYS  18  -1.583   8.479   6.127
  151    HE3  LYS  18          2HE       LYS  18   0.074   8.149   5.666
  152    HZ1  LYS  18          1HZ       LYS  18   0.517   9.089   7.613
  153    HZ2  LYS  18          2HZ       LYS  18   0.293  10.519   6.857
  154    HZ3  LYS  18          3HZ       LYS  18  -0.920   9.858   7.727
  155    H    ASN  19           H        ASN  19  -0.422   9.913  -0.851
  156    HA   ASN  19           HA       ASN  19  -3.082  10.367  -1.884
  157    HB2  ASN  19          1HB       ASN  19  -1.914  12.465  -2.425
  158    HB3  ASN  19          2HB       ASN  19  -0.522  11.591  -3.031
  159   HD21  ASN  19          1HD2      ASN  19  -0.464  12.133  -5.100
  160   HD22  ASN  19          2HD2      ASN  19  -1.724  11.882  -6.263
  161    H    LEU  20           H        LEU  20   0.345   9.308  -2.411
  162    HA   LEU  20           HA       LEU  20  -0.382   7.551  -4.555
  163    HB2  LEU  20          1HB       LEU  20   2.152   8.151  -3.052
  164    HB3  LEU  20          2HB       LEU  20   2.057   6.816  -4.184
  165    HG   LEU  20           HG       LEU  20   1.058   9.324  -5.321
  166   HD11  LEU  20          1HD1      LEU  20   3.806   9.783  -5.476
  167   HD12  LEU  20          2HD1      LEU  20   2.602  10.737  -4.577
  168   HD13  LEU  20          3HD1      LEU  20   3.498   9.434  -3.758
  169   HD21  LEU  20          1HD2      LEU  20   3.377   8.136  -6.596
  170   HD22  LEU  20          2HD2      LEU  20   2.145   6.911  -6.206
  171   HD23  LEU  20          3HD2      LEU  20   1.710   8.326  -7.195
  172    H    CYS  21           H        CYS  21  -0.030   5.182  -4.484
  173    HA   CYS  21           HA       CYS  21  -0.883   4.184  -1.878
  174    HB2  CYS  21          1HB       CYS  21  -1.066   2.797  -4.571
  175    HB3  CYS  21          2HB       CYS  21  -1.771   2.256  -3.060
  176    H    TYR  22           H        TYR  22   0.341   2.561  -0.821
  177    HA   TYR  22           HA       TYR  22   2.752   1.646  -2.217
  178    HB2  TYR  22          1HB       TYR  22   4.078   2.380  -0.346
  179    HB3  TYR  22          2HB       TYR  22   2.922   3.685  -0.509
  180    HD1  TYR  22          1HD       TYR  22   1.695   4.367   1.357
  181    HD2  TYR  22          2HD       TYR  22   3.381   0.436   1.302
  182    HE1  TYR  22          1HE       TYR  22   0.967   4.014   3.767
  183    HE2  TYR  22          2HE       TYR  22   2.647   0.095   3.713
  184    HH   TYR  22           HH       TYR  22   2.186   1.867   5.720
  185    H    LYS  23           H        LYS  23   3.528  -0.420  -1.552
  186    HA   LYS  23           HA       LYS  23   1.793  -1.815   0.352
  187    HB2  LYS  23          1HB       LYS  23   1.720  -2.200  -2.422
  188    HB3  LYS  23          2HB       LYS  23   2.686  -3.532  -1.822
  189    HG2  LYS  23          1HG       LYS  23   0.859  -3.924  -0.057
  190    HG3  LYS  23          2HG       LYS  23  -0.119  -2.751  -0.913
  191    HD2  LYS  23          1HD       LYS  23   1.072  -5.223  -2.248
  192    HD3  LYS  23          2HD       LYS  23  -0.535  -5.190  -1.553
  193    HE2  LYS  23          1HE       LYS  23  -0.855  -4.710  -3.877
  194    HE3  LYS  23          2HE       LYS  23  -1.027  -3.165  -3.068
  195    HZ1  LYS  23          1HZ       LYS  23   0.739  -2.405  -4.122
  196    HZ2  LYS  23          2HZ       LYS  23   1.664  -3.695  -3.743
  197    HZ3  LYS  23          3HZ       LYS  23   0.706  -3.738  -5.065
  198    H    MET  24           H        MET  24   2.886  -3.010   1.856
  199    HA   MET  24           HA       MET  24   5.762  -3.205   1.398
  200    HB2  MET  24          1HB       MET  24   4.039  -2.643   3.826
  201    HB3  MET  24          2HB       MET  24   5.548  -3.494   4.092
  202    HG2  MET  24          1HG       MET  24   6.846  -1.650   3.567
  203    HG3  MET  24          2HG       MET  24   5.750  -1.094   2.319
  204    HE1  MET  24          1HE       MET  24   4.669  -1.326   6.591
  205    HE2  MET  24          2HE       MET  24   6.147  -1.963   5.830
  206    HE3  MET  24          3HE       MET  24   6.164  -0.360   6.602
  207    H    PHE  25           H        PHE  25   6.838  -5.186   1.851
  208    HA   PHE  25           HA       PHE  25   5.028  -7.418   2.458
  209    HB2  PHE  25          1HB       PHE  25   7.360  -7.085   0.486
  210    HB3  PHE  25          2HB       PHE  25   6.745  -8.669   0.916
  211    HD1  PHE  25          1HD       PHE  25   5.484  -5.383  -0.338
  212    HD2  PHE  25          2HD       PHE  25   5.133  -9.610  -0.437
  213    HE1  PHE  25          1HE       PHE  25   3.740  -5.195  -2.132
  214    HE2  PHE  25          2HE       PHE  25   3.389  -9.423  -2.232
  215    HZ   PHE  25           HZ       PHE  25   2.712  -7.218  -3.059
  216    H    MET  26           H        MET  26   6.691  -9.489   2.833
  217    HA   MET  26           HA       MET  26   8.695  -8.498   4.705
  218    HB2  MET  26          1HB       MET  26   6.652 -10.759   5.053
  219    HB3  MET  26          2HB       MET  26   8.036 -10.575   6.113
  220    HG2  MET  26          1HG       MET  26   7.196  -8.122   6.474
  221    HG3  MET  26          2HG       MET  26   5.697  -8.659   5.747
  222    HE1  MET  26          1HE       MET  26   4.242 -11.230   7.733
  223    HE2  MET  26          2HE       MET  26   5.110 -11.110   6.184
  224    HE3  MET  26          3HE       MET  26   5.803 -12.058   7.521
  225    H    MET  27           H        MET  27  10.462 -10.093   5.173
  226    HA   MET  27           HA       MET  27  11.470 -11.132   2.833
  227    HB2  MET  27          1HB       MET  27  12.075 -11.387   5.789
  228    HB3  MET  27          2HB       MET  27  12.899 -12.488   4.705
  229    HG2  MET  27          1HG       MET  27  12.888  -9.453   4.346
  230    HG3  MET  27          2HG       MET  27  14.163 -10.328   5.170
  231    HE1  MET  27          1HE       MET  27  15.795 -11.804   4.226
  232    HE2  MET  27          2HE       MET  27  14.697 -12.999   3.496
  233    HE3  MET  27          3HE       MET  27  15.996 -12.270   2.520
  234    H    SER  28           H        SER  28   8.971 -12.361   4.829
  235    HA   SER  28           HA       SER  28   9.512 -15.082   4.683
  236    HB2  SER  28          1HB       SER  28   7.873 -14.499   6.256
  237    HB3  SER  28          2HB       SER  28   7.060 -13.396   5.162
  238    HG   SER  28           HG       SER  28   6.227 -15.204   3.980
  239    H    ASP  29           H        ASP  29   7.456 -12.896   2.633
  240    HA   ASP  29           HA       ASP  29   8.087 -14.436   0.351
  241    HB2  ASP  29          1HB       ASP  29   5.532 -14.779  -0.145
  242    HB3  ASP  29          2HB       ASP  29   6.359 -15.933   0.880
  243    H    LEU  30           H        LEU  30   8.674 -12.455  -0.663
  244    HA   LEU  30           HA       LEU  30   7.156 -10.096  -0.357
  245    HB2  LEU  30          1HB       LEU  30   9.226 -10.837  -2.430
  246    HB3  LEU  30          2HB       LEU  30   8.624  -9.221  -2.113
  247    HG   LEU  30           HG       LEU  30  10.042 -10.888  -0.023
  248   HD11  LEU  30          1HD1      LEU  30  11.210  -8.895  -1.980
  249   HD12  LEU  30          2HD1      LEU  30  12.048  -9.501  -0.531
  250   HD13  LEU  30          3HD1      LEU  30  11.596 -10.626  -1.834
  251   HD21  LEU  30          1HD2      LEU  30  10.487  -8.319   0.658
  252   HD22  LEU  30          2HD2      LEU  30   8.896  -8.157  -0.126
  253   HD23  LEU  30          3HD2      LEU  30   9.105  -9.274   1.245
  254    H    THR  31           H        THR  31   6.500 -12.985  -1.995
  255    HA   THR  31           HA       THR  31   5.368 -11.989  -4.382
  256    HB   THR  31           HB       THR  31   4.460 -14.273  -4.523
  257    HG1  THR  31          1HG       THR  31   3.978 -15.264  -2.590
  258   HG21  THR  31          1HG2      THR  31   6.457 -15.483  -4.450
  259   HG22  THR  31          2HG2      THR  31   7.136 -13.841  -4.340
  260   HG23  THR  31          3HG2      THR  31   6.918 -14.814  -2.865
  261    H    ILE  32           H        ILE  32   4.156 -12.322  -1.045
  262    HA   ILE  32           HA       ILE  32   1.702 -11.009  -1.982
  263    HB   ILE  32           HB       ILE  32   1.641 -12.782   0.408
  264   HG12  ILE  32          1HG1      ILE  32   0.834 -14.489  -1.586
  265   HG13  ILE  32          2HG1      ILE  32   2.214 -13.710  -2.331
  266   HG21  ILE  32          1HG2      ILE  32  -0.654 -13.035  -0.161
  267   HG22  ILE  32          2HG2      ILE  32  -0.261 -11.308  -0.328
  268   HG23  ILE  32          3HG2      ILE  32  -0.402 -12.331  -1.777
  269   HD11  ILE  32          1HD1      ILE  32   2.849 -15.757  -1.033
  270   HD12  ILE  32          2HD1      ILE  32   3.647 -14.291  -0.415
  271   HD13  ILE  32          3HD1      ILE  32   2.247 -14.974   0.448
  272    H    PRO  33           H        PRO  33   1.048  -8.913  -1.421
  273    HA   PRO  33           HA       PRO  33   3.062  -7.886   0.808
  274   1HB   PRO  33          1HB       PRO  33   0.721  -6.414   0.760
  275   2HB   PRO  33          2HB       PRO  33   1.958  -6.316  -0.441
  276   1HG   PRO  33          1HG       PRO  33  -0.653  -7.885  -0.493
  277   2HG   PRO  33          2HG       PRO  33   0.109  -6.988  -1.769
  278   1HD   PRO  33          1HD       PRO  33   0.357  -9.706  -1.644
  279   2HD   PRO  33          2HD       PRO  33   1.590  -8.695  -2.338
  280    H    VAL  34           H        VAL  34   2.478  -6.692   2.848
  281    HA   VAL  34           HA       VAL  34   0.876  -8.441   4.585
  282    HB   VAL  34           HB       VAL  34   2.437  -7.965   6.373
  283   HG11  VAL  34          1HG1      VAL  34   2.823  -9.747   4.397
  284   HG12  VAL  34          2HG1      VAL  34   4.321  -8.803   4.224
  285   HG13  VAL  34          3HG1      VAL  34   3.932  -9.577   5.778
  286   HG21  VAL  34          1HG2      VAL  34   4.417  -6.673   6.140
  287   HG22  VAL  34          2HG2      VAL  34   4.226  -6.559   4.374
  288   HG23  VAL  34          3HG2      VAL  34   3.105  -5.689   5.448
  289    H    LYS  35           H        LYS  35   1.940  -5.153   3.659
  290    HA   LYS  35           HA       LYS  35  -0.351  -4.136   5.187
  291    HB2  LYS  35          1HB       LYS  35   2.252  -2.641   4.806
  292    HB3  LYS  35          2HB       LYS  35   0.890  -2.187   5.812
  293    HG2  LYS  35          1HG       LYS  35   1.710  -4.858   6.562
  294    HG3  LYS  35          2HG       LYS  35   3.139  -3.846   6.507
  295    HD2  LYS  35          1HD       LYS  35   2.545  -3.093   8.568
  296    HD3  LYS  35          2HD       LYS  35   1.268  -2.194   7.774
  297    HE2  LYS  35          1HE       LYS  35  -0.242  -3.435   8.930
  298    HE3  LYS  35          2HE       LYS  35   0.246  -4.827   7.986
  299    HZ1  LYS  35          1HZ       LYS  35   0.697  -4.353  10.678
  300    HZ2  LYS  35          2HZ       LYS  35   1.124  -5.665   9.804
  301    HZ3  LYS  35          3HZ       LYS  35   2.158  -4.410   9.950
  302    H    ARG  36           H        ARG  36  -1.564  -2.460   4.185
  303    HA   ARG  36           HA       ARG  36  -0.719  -1.784   1.508
  304    HB2  ARG  36          1HB       ARG  36  -3.354  -3.119   2.259
  305    HB3  ARG  36          2HB       ARG  36  -3.223  -2.144   0.811
  306    HG2  ARG  36          1HG       ARG  36  -0.971  -3.766   0.610
  307    HG3  ARG  36          2HG       ARG  36  -2.125  -4.844   1.371
  308    HD2  ARG  36          1HD       ARG  36  -3.753  -3.808  -0.541
  309    HD3  ARG  36          2HD       ARG  36  -2.218  -3.578  -1.358
  310    HE   ARG  36           HE       ARG  36  -2.251  -6.229  -0.307
  311   HH11  ARG  36          1HH1      ARG  36  -3.563  -7.799  -3.133
  312   HH12  ARG  36          2HH1      ARG  36  -2.710  -8.026  -1.644
  313   HH21  ARG  36          1HH2      ARG  36  -4.241  -5.674  -3.773
  314   HH22  ARG  36          2HH2      ARG  36  -3.893  -4.313  -2.759
  315    H    GLY  37           H        GLY  37  -0.604   0.443   1.668
  316    HA2  GLY  37          1HA       GLY  37  -2.997   1.883   2.491
  317    HA3  GLY  37          2HA       GLY  37  -1.571   2.134   3.477
  318    H    CYS  38           H        CYS  38  -2.024   4.437   2.586
  319    HA   CYS  38           HA       CYS  38  -0.690   4.691  -0.012
  320    HB2  CYS  38          1HB       CYS  38  -2.844   6.403   1.253
  321    HB3  CYS  38          2HB       CYS  38  -1.874   6.952  -0.099
  322    H    ILE  39           H        ILE  39   0.585   6.849  -0.164
  323    HA   ILE  39           HA       ILE  39   1.405   7.975   2.345
  324    HB   ILE  39           HB       ILE  39   2.702   5.866   2.213
  325   HG12  ILE  39          1HG1      ILE  39   4.772   7.966   1.925
  326   HG13  ILE  39          2HG1      ILE  39   3.482   8.335   3.054
  327   HG21  ILE  39          1HG2      ILE  39   4.584   6.822   0.198
  328   HG22  ILE  39          2HG2      ILE  39   3.851   5.215   0.418
  329   HG23  ILE  39          3HG2      ILE  39   2.970   6.478  -0.473
  330   HD11  ILE  39          1HD1      ILE  39   5.195   7.182   4.305
  331   HD12  ILE  39          2HD1      ILE  39   3.856   6.029   4.096
  332   HD13  ILE  39          3HD1      ILE  39   5.310   5.897   3.079
  333    H    ASP  40           H        ASP  40   2.925   9.835   1.982
  334    HA   ASP  40           HA       ASP  40   2.066  11.188  -0.362
  335    HB2  ASP  40          1HB       ASP  40   2.322  12.324   1.844
  336    HB3  ASP  40          2HB       ASP  40   4.040  11.980   1.833
  337    H    VAL  41           H        VAL  41   5.126   9.858   1.041
  338    HA   VAL  41           HA       VAL  41   6.339  10.114  -1.621
  339    HB   VAL  41           HB       VAL  41   7.542  10.668   1.093
  340   HG11  VAL  41          1HG1      VAL  41   8.824   9.471  -1.147
  341   HG12  VAL  41          2HG1      VAL  41   9.393  11.154  -1.045
  342   HG13  VAL  41          3HG1      VAL  41   9.561  10.073   0.357
  343   HG21  VAL  41          1HG2      VAL  41   6.451  12.605   0.271
  344   HG22  VAL  41          2HG2      VAL  41   8.177  12.831  -0.097
  345   HG23  VAL  41          3HG2      VAL  41   7.051  12.338  -1.384
  346    H    CYS  42           H        CYS  42   7.451   8.303  -2.366
  347    HA   CYS  42           HA       CYS  42   6.725   5.860  -1.229
  348    HB2  CYS  42          1HB       CYS  42   7.250   6.252  -3.647
  349    HB3  CYS  42          2HB       CYS  42   8.947   6.385  -3.229
  350    H    PRO  43           H        PRO  43   7.110   4.888   0.851
  351    HA   PRO  43           HA       PRO  43  10.094   5.574   1.761
  352   1HB   PRO  43          1HB       PRO  43   8.703   3.010   2.328
  353   2HB   PRO  43          2HB       PRO  43   9.182   4.253   3.429
  354   1HG   PRO  43          1HG       PRO  43   6.571   3.987   2.770
  355   2HG   PRO  43          2HG       PRO  43   7.250   5.580   2.898
  356   1HD   PRO  43          1HD       PRO  43   6.842   3.996   0.340
  357   2HD   PRO  43          2HD       PRO  43   6.339   5.623   0.686
  358    H    LYS  44           H        LYS  44  12.011   4.359   2.092
  359    HA   LYS  44           HA       LYS  44  12.871   3.001  -0.270
  360    HB2  LYS  44          1HB       LYS  44  14.193   3.687   2.364
  361    HB3  LYS  44          2HB       LYS  44  15.003   2.759   1.119
  362    HG2  LYS  44          1HG       LYS  44  13.679   5.220   0.104
  363    HG3  LYS  44          2HG       LYS  44  14.953   5.533   1.264
  364    HD2  LYS  44          1HD       LYS  44  15.968   3.509  -0.475
  365    HD3  LYS  44          2HD       LYS  44  15.179   4.680  -1.514
  366    HE2  LYS  44          1HE       LYS  44  16.904   5.803   0.670
  367    HE3  LYS  44          2HE       LYS  44  17.742   4.967  -0.622
  368    HZ1  LYS  44          1HZ       LYS  44  16.888   7.501  -0.725
  369    HZ2  LYS  44          2HZ       LYS  44  17.272   6.595  -2.029
  370    HZ3  LYS  44          3HZ       LYS  44  15.713   6.730  -1.560
  371    H    ASN  45           H        ASN  45  13.758   0.800  -0.315
  372    HA   ASN  45           HA       ASN  45  12.017  -0.929   1.149
  373    HB2  ASN  45          1HB       ASN  45  14.285  -1.717  -0.745
  374    HB3  ASN  45          2HB       ASN  45  12.894  -2.689  -0.309
  375   HD21  ASN  45          1HD2      ASN  45  14.209  -0.628  -2.556
  376   HD22  ASN  45          2HD2      ASN  45  12.795  -0.182  -3.452
  377    H    SER  46           H        SER  46  13.057  -2.994   2.186
  378    HA   SER  46           HA       SER  46  15.694  -2.389   3.245
  379    HB2  SER  46          1HB       SER  46  14.904  -3.226   5.501
  380    HB3  SER  46          2HB       SER  46  14.222  -1.685   5.018
  381    HG   SER  46           HG       SER  46  12.241  -2.564   4.795
  382    H    LEU  47           H        LEU  47  16.555  -4.478   4.473
  383    HA   LEU  47           HA       LEU  47  16.189  -6.653   2.621
  384    HB2  LEU  47          1HB       LEU  47  18.013  -6.307   5.005
  385    HB3  LEU  47          2HB       LEU  47  18.035  -7.677   3.910
  386    HG   LEU  47           HG       LEU  47  19.083  -4.929   3.550
  387   HD11  LEU  47          1HD1      LEU  47  20.286  -7.269   3.799
  388   HD12  LEU  47          2HD1      LEU  47  20.018  -7.335   2.040
  389   HD13  LEU  47          3HD1      LEU  47  20.944  -5.989   2.749
  390   HD21  LEU  47          1HD2      LEU  47  18.838  -4.858   1.168
  391   HD22  LEU  47          2HD2      LEU  47  18.024  -6.441   1.150
  392   HD23  LEU  47          3HD2      LEU  47  17.221  -5.036   1.891
  393    H    LEU  48           H        LEU  48  14.313  -5.565   5.048
  394    HA   LEU  48           HA       LEU  48  13.756  -8.278   6.032
  395    HB2  LEU  48          1HB       LEU  48  13.169  -5.648   7.398
  396    HB3  LEU  48          2HB       LEU  48  12.854  -7.250   8.033
  397    HG   LEU  48           HG       LEU  48  14.779  -6.629   9.150
  398   HD11  LEU  48          1HD1      LEU  48  16.032  -7.972   6.751
  399   HD12  LEU  48          2HD1      LEU  48  16.494  -8.099   8.465
  400   HD13  LEU  48          3HD1      LEU  48  14.974  -8.830   7.897
  401   HD21  LEU  48          1HD2      LEU  48  15.845  -5.444   6.571
  402   HD22  LEU  48          2HD2      LEU  48  15.218  -4.552   7.979
  403   HD23  LEU  48          3HD2      LEU  48  16.717  -5.501   8.123
  404    H    VAL  49           H        VAL  49  12.305  -5.100   5.073
  405    HA   VAL  49           HA       VAL  49   9.974  -6.635   4.163
  406    HB   VAL  49           HB       VAL  49   8.513  -4.961   4.941
  407   HG11  VAL  49          1HG1      VAL  49   9.225  -6.518   6.677
  408   HG12  VAL  49          2HG1      VAL  49  10.604  -5.467   7.084
  409   HG13  VAL  49          3HG1      VAL  49   8.941  -4.905   7.377
  410   HG21  VAL  49          1HG2      VAL  49  10.138  -3.067   4.318
  411   HG22  VAL  49          2HG2      VAL  49   9.088  -2.822   5.735
  412   HG23  VAL  49          3HG2      VAL  49  10.797  -3.265   5.960
  413    H    LYS  50           H        LYS  50   8.877  -5.722   2.279
  414    HA   LYS  50           HA       LYS  50  10.744  -4.109   0.689
  415    HB2  LYS  50          1HB       LYS  50  10.171  -6.487  -0.032
  416    HB3  LYS  50          2HB       LYS  50   8.550  -5.908  -0.359
  417    HG2  LYS  50          1HG       LYS  50   9.193  -4.795  -2.255
  418    HG3  LYS  50          2HG       LYS  50  10.639  -4.152  -1.502
  419    HD2  LYS  50          1HD       LYS  50  11.223  -6.878  -1.694
  420    HD3  LYS  50          2HD       LYS  50  10.300  -6.587  -3.156
  421    HE2  LYS  50          1HE       LYS  50  11.837  -4.938  -3.949
  422    HE3  LYS  50          2HE       LYS  50  12.542  -4.696  -2.364
  423    HZ1  LYS  50          1HZ       LYS  50  12.926  -6.935  -4.189
  424    HZ2  LYS  50          2HZ       LYS  50  14.051  -6.027  -3.427
  425    HZ3  LYS  50          3HZ       LYS  50  13.195  -7.138  -2.590
  426    H    TYR  51           H        TYR  51   9.683  -2.590  -0.904
  427    HA   TYR  51           HA       TYR  51   7.083  -1.645   0.049
  428    HB2  TYR  51          1HB       TYR  51   9.812  -0.288  -0.099
  429    HB3  TYR  51          2HB       TYR  51   8.397   0.695  -0.423
  430    HD1  TYR  51          1HD       TYR  51   9.966  -1.493   2.154
  431    HD2  TYR  51          2HD       TYR  51   7.081   1.561   1.347
  432    HE1  TYR  51          1HE       TYR  51   9.626  -1.144   4.649
  433    HE2  TYR  51          2HE       TYR  51   6.751   1.901   3.844
  434    HH   TYR  51           HH       TYR  51   8.124   1.539   5.904
  435    H    VAL  52           H        VAL  52   5.712  -1.229  -1.618
  436    HA   VAL  52           HA       VAL  52   6.933  -0.631  -4.216
  437    HB   VAL  52           HB       VAL  52   4.466  -2.316  -3.993
  438   HG11  VAL  52          1HG1      VAL  52   4.784  -2.740  -6.203
  439   HG12  VAL  52          2HG1      VAL  52   5.686  -1.208  -6.130
  440   HG13  VAL  52          3HG1      VAL  52   6.558  -2.757  -6.061
  441   HG21  VAL  52          1HG2      VAL  52   6.331  -4.228  -4.386
  442   HG22  VAL  52          2HG2      VAL  52   7.240  -3.142  -3.308
  443   HG23  VAL  52          3HG2      VAL  52   5.676  -3.812  -2.783
  444    H    CYS  53           H        CYS  53   6.349   1.412  -4.724
  445    HA   CYS  53           HA       CYS  53   3.742   2.312  -3.761
  446    HB2  CYS  53          1HB       CYS  53   5.953   4.088  -4.813
  447    HB3  CYS  53          2HB       CYS  53   4.552   4.547  -3.867
  448    H    CYS  54           H        CYS  54   2.286   3.349  -5.287
  449    HA   CYS  54           HA       CYS  54   3.084   3.235  -8.073
  450    HB2  CYS  54          1HB       CYS  54   0.800   2.151  -8.587
  451    HB3  CYS  54          2HB       CYS  54   2.102   1.118  -8.033
  452    H    ASN  55           H        ASN  55   1.986   4.839  -9.320
  453    HA   ASN  55           HA       ASN  55   0.587   6.752  -7.678
  454    HB2  ASN  55          1HB       ASN  55   0.960   8.313  -9.538
  455    HB3  ASN  55          2HB       ASN  55   2.464   7.473  -9.212
  456   HD21  ASN  55          1HD2      ASN  55   3.500   7.056 -10.997
  457   HD22  ASN  55          2HD2      ASN  55   2.839   6.477 -12.490
  458    H    THR  56           H        THR  56  -0.396   4.022  -8.996
  459    HA   THR  56           HA       THR  56  -2.555   5.071 -10.667
  460    HB   THR  56           HB       THR  56  -2.791   2.328 -10.657
  461    HG1  THR  56          1HG       THR  56  -0.461   1.665 -10.595
  462   HG21  THR  56          1HG2      THR  56  -2.454   3.283 -12.800
  463   HG22  THR  56          2HG2      THR  56  -1.024   4.200 -12.268
  464   HG23  THR  56          3HG2      THR  56  -0.909   2.444 -12.532
  465    H    ASP  57           H        ASP  57  -4.777   4.168 -10.327
  466    HA   ASP  57           HA       ASP  57  -5.395   4.559  -7.567
  467    HB2  ASP  57          1HB       ASP  57  -6.900   4.393 -10.162
  468    HB3  ASP  57          2HB       ASP  57  -7.797   3.971  -8.717
  469    H    ARG  58           H        ARG  58  -6.195   2.920  -6.151
  470    HA   ARG  58           HA       ARG  58  -6.376   0.914  -5.350
  471    HB2  ARG  58          1HB       ARG  58  -7.841   0.515  -7.999
  472    HB3  ARG  58          2HB       ARG  58  -7.840  -0.706  -6.743
  473    HG2  ARG  58          1HG       ARG  58  -8.889   0.844  -5.150
  474    HG3  ARG  58          2HG       ARG  58  -8.742   2.174  -6.283
  475    HD2  ARG  58          1HD       ARG  58 -10.263  -0.328  -7.086
  476    HD3  ARG  58          2HD       ARG  58 -11.042   0.881  -6.084
  477    HE   ARG  58           HE       ARG  58 -10.266   1.173  -8.911
  478   HH11  ARG  58          1HH1      ARG  58 -11.650   4.371  -9.100
  479   HH12  ARG  58          2HH1      ARG  58 -10.992   3.046 -10.001
  480   HH21  ARG  58          1HH2      ARG  58 -11.794   4.245  -6.787
  481   HH22  ARG  58          2HH2      ARG  58 -11.244   2.824  -5.962
  482    H    CYS  59           H        CYS  59  -4.001   1.521  -7.184
  483    HA   CYS  59           HA       CYS  59  -3.389  -0.750  -8.678
  484    HB2  CYS  59          1HB       CYS  59  -1.012   0.104  -8.490
  485    HB3  CYS  59          2HB       CYS  59  -2.180   1.232  -9.150
  486    H    ASN  60           H        ASN  60  -2.683   0.263  -5.273
  487    HA   ASN  60           HA       ASN  60  -1.254  -2.130  -4.753
  488    HB2  ASN  60          1HB       ASN  60  -0.983  -1.246  -2.524
  489    HB3  ASN  60          2HB       ASN  60  -0.934   0.149  -3.584
  490   HD21  ASN  60          1HD2      ASN  60  -1.864  -0.551  -0.715
  491   HD22  ASN  60          2HD2      ASN  60  -3.385   0.261  -0.549
  492    H1   HOH 101          1H        HOH  61   5.070 -11.532   2.369
  493    H2   HOH 101          2H        HOH  61   4.105 -10.408   2.680
  Start of MODEL   11
    1    H1   LEU   1           H        LEU   1  -5.054  10.406  -4.471
    2    HA   LEU   1           HA       LEU   1  -6.639   8.641  -5.986
    3    HB2  LEU   1          1HB       LEU   1  -3.920   9.147  -5.539
    4    HB3  LEU   1          2HB       LEU   1  -4.166   7.492  -5.019
    5    HG   LEU   1           HG       LEU   1  -5.126   6.926  -7.213
    6   HD11  LEU   1          1HD1      LEU   1  -4.260   9.298  -8.652
    7   HD12  LEU   1          2HD1      LEU   1  -5.809   8.422  -8.708
    8   HD13  LEU   1          3HD1      LEU   1  -5.536   9.670  -7.468
    9   HD21  LEU   1          1HD2      LEU   1  -2.624   6.858  -6.664
   10   HD22  LEU   1          2HD2      LEU   1  -3.100   6.783  -8.377
   11   HD23  LEU   1          3HD2      LEU   1  -2.488   8.306  -7.691
   12    H    LYS   2           H        LYS   2  -6.896   6.264  -5.511
   13    HA   LYS   2           HA       LYS   2  -7.513   5.941  -2.657
   14    HB2  LYS   2          1HB       LYS   2  -8.901   4.872  -5.125
   15    HB3  LYS   2          2HB       LYS   2  -9.199   4.241  -3.518
   16    HG2  LYS   2          1HG       LYS   2 -10.405   6.084  -2.875
   17    HG3  LYS   2          2HG       LYS   2  -9.292   7.202  -3.639
   18    HD2  LYS   2          1HD       LYS   2 -10.702   7.445  -5.396
   19    HD3  LYS   2          2HD       LYS   2 -10.609   5.730  -5.737
   20    HE2  LYS   2          1HE       LYS   2 -12.327   5.503  -3.727
   21    HE3  LYS   2          2HE       LYS   2 -12.626   7.205  -4.020
   22    HZ1  LYS   2          1HZ       LYS   2 -12.743   5.180  -6.142
   23    HZ2  LYS   2          2HZ       LYS   2 -14.049   5.652  -5.284
   24    HZ3  LYS   2          3HZ       LYS   2 -13.258   6.727  -6.223
   25    H    CYS   3           H        CYS   3  -6.997   3.929  -1.646
   26    HA   CYS   3           HA       CYS   3  -5.254   2.216  -3.249
   27    HB2  CYS   3          1HB       CYS   3  -4.574   2.911  -0.388
   28    HB3  CYS   3          2HB       CYS   3  -3.571   2.120  -1.588
   29    H    ASN   4           H        ASN   4  -5.184  -0.032  -2.405
   30    HA   ASN   4           HA       ASN   4  -7.670  -0.638  -1.071
   31    HB2  ASN   4          1HB       ASN   4  -5.669  -2.669  -2.157
   32    HB3  ASN   4          2HB       ASN   4  -7.395  -2.874  -1.936
   33   HD21  ASN   4          1HD2      ASN   4  -5.889  -3.346  -4.303
   34   HD22  ASN   4          2HD2      ASN   4  -6.473  -2.300  -5.553
   35    H    LYS   5           H        LYS   5  -7.613  -2.354   0.708
   36    HA   LYS   5           HA       LYS   5  -5.338  -1.858   2.435
   37    HB2  LYS   5          1HB       LYS   5  -7.924  -3.338   2.999
   38    HB3  LYS   5          2HB       LYS   5  -6.728  -2.836   4.178
   39    HG2  LYS   5          1HG       LYS   5  -8.471  -1.031   2.441
   40    HG3  LYS   5          2HG       LYS   5  -8.528  -1.196   4.184
   41    HD2  LYS   5          1HD       LYS   5  -6.298   0.046   2.519
   42    HD3  LYS   5          2HD       LYS   5  -7.326   0.851   3.689
   43    HE2  LYS   5          1HE       LYS   5  -6.260  -1.103   5.286
   44    HE3  LYS   5          2HE       LYS   5  -4.943  -0.909   4.144
   45    HZ1  LYS   5          1HZ       LYS   5  -4.729   1.316   4.702
   46    HZ2  LYS   5          2HZ       LYS   5  -6.192   1.409   5.420
   47    HZ3  LYS   5          3HZ       LYS   5  -4.980   0.592   6.145
   48    H    LEU   6           H        LEU   6  -5.124  -4.149   3.936
   49    HA   LEU   6           HA       LEU   6  -3.377  -5.684   2.559
   50    HB2  LEU   6          1HB       LEU   6  -3.762  -5.647   5.004
   51    HB3  LEU   6          2HB       LEU   6  -5.206  -6.613   4.777
   52    HG   LEU   6           HG       LEU   6  -3.832  -8.448   3.848
   53   HD11  LEU   6          1HD1      LEU   6  -1.244  -7.605   4.773
   54   HD12  LEU   6          2HD1      LEU   6  -1.744  -8.161   3.158
   55   HD13  LEU   6          3HD1      LEU   6  -1.868  -6.436   3.584
   56   HD21  LEU   6          1HD2      LEU   6  -2.700  -7.637   6.526
   57   HD22  LEU   6          2HD2      LEU   6  -4.391  -8.154   6.324
   58   HD23  LEU   6          3HD2      LEU   6  -3.064  -9.267   5.910
   59    H    VAL   7           H        VAL   7  -6.923  -6.321   2.976
   60    HA   VAL   7           HA       VAL   7  -6.683  -8.347   0.877
   61    HB   VAL   7           HB       VAL   7  -8.566  -7.819   3.140
   62   HG11  VAL   7          1HG1      VAL   7 -10.092  -9.586   2.094
   63   HG12  VAL   7          2HG1      VAL   7 -10.167  -7.946   1.404
   64   HG13  VAL   7          3HG1      VAL   7  -9.270  -9.228   0.556
   65   HG21  VAL   7          1HG2      VAL   7  -8.304 -10.291   3.419
   66   HG22  VAL   7          2HG2      VAL   7  -7.172 -10.284   2.046
   67   HG23  VAL   7          3HG2      VAL   7  -6.774  -9.388   3.531
   68    H    PRO   8           H        PRO   8  -6.627  -7.861  -1.332
   69    HA   PRO   8           HA       PRO   8  -7.900  -5.073  -1.826
   70   1HB   PRO   8          1HB       PRO   8  -8.163  -7.413  -3.686
   71   2HB   PRO   8          2HB       PRO   8  -7.378  -5.900  -3.959
   72   1HG   PRO   8          1HG       PRO   8  -5.871  -8.051  -3.390
   73   2HG   PRO   8          2HG       PRO   8  -5.485  -6.550  -2.607
   74   1HD   PRO   8          1HD       PRO   8  -7.050  -8.859  -1.426
   75   2HD   PRO   8          2HD       PRO   8  -5.747  -7.956  -0.710
   76    H    ILE   9           H        ILE   9 -10.089  -7.226  -0.490
   77    HA   ILE   9           HA       ILE   9 -12.259  -6.623  -2.296
   78    HB   ILE   9           HB       ILE   9 -11.643  -8.638  -0.409
   79   HG12  ILE   9          1HG1      ILE   9 -12.557  -8.988  -2.646
   80   HG13  ILE   9          2HG1      ILE   9 -13.543  -9.771  -1.426
   81   HG21  ILE   9          1HG2      ILE   9 -12.820  -7.201   1.245
   82   HG22  ILE   9          2HG2      ILE   9 -14.280  -7.289   0.231
   83   HG23  ILE   9          3HG2      ILE   9 -13.614  -8.769   0.964
   84   HD11  ILE   9          1HD1      ILE   9 -14.131  -7.078  -2.743
   85   HD12  ILE   9          2HD1      ILE   9 -14.984  -8.610  -3.049
   86   HD13  ILE   9          3HD1      ILE   9 -15.117  -7.819  -1.460
   87    H    ALA  10           H        ALA  10 -10.569  -4.817  -0.129
   88    HA   ALA  10           HA       ALA  10 -12.811  -3.051   0.255
   89    HB1  ALA  10          1HB       ALA  10 -13.242  -3.554   2.400
   90    HB2  ALA  10          2HB       ALA  10 -12.073  -4.893   2.310
   91    HB3  ALA  10          3HB       ALA  10 -11.536  -3.276   2.823
   92    H    TYR  11           H        TYR  11 -12.098  -0.991  -0.049
   93    HA   TYR  11           HA       TYR  11  -9.285  -0.440   0.554
   94    HB2  TYR  11          1HB       TYR  11  -9.068   0.567  -1.673
   95    HB3  TYR  11          2HB       TYR  11  -9.806  -1.002  -1.932
   96    HD1  TYR  11          1HD       TYR  11 -12.460  -1.011  -1.952
   97    HD2  TYR  11          2HD       TYR  11 -10.040   2.447  -2.644
   98    HE1  TYR  11          1HE       TYR  11 -14.394   0.108  -3.165
   99    HE2  TYR  11          2HE       TYR  11 -11.982   3.556  -3.855
  100    HH   TYR  11           HH       TYR  11 -15.112   1.896  -4.136
  101    H    LYS  12           H        LYS  12  -8.829   1.943   0.662
  102    HA   LYS  12           HA       LYS  12 -11.245   3.507   1.179
  103    HB2  LYS  12          1HB       LYS  12  -8.916   3.181   3.094
  104    HB3  LYS  12          2HB       LYS  12 -10.147   4.419   3.240
  105    HG2  LYS  12          1HG       LYS  12 -11.511   1.919   2.850
  106    HG3  LYS  12          2HG       LYS  12 -10.274   1.643   4.059
  107    HD2  LYS  12          1HD       LYS  12 -11.363   2.900   5.625
  108    HD3  LYS  12          2HD       LYS  12 -11.673   4.200   4.492
  109    HE2  LYS  12          1HE       LYS  12 -13.841   3.548   4.372
  110    HE3  LYS  12          2HE       LYS  12 -13.329   2.037   3.645
  111    HZ1  LYS  12          1HZ       LYS  12 -14.153   2.555   6.323
  112    HZ2  LYS  12          2HZ       LYS  12 -14.164   1.154   5.482
  113    HZ3  LYS  12          3HZ       LYS  12 -12.800   1.645   6.235
  114    H    THR  13           H        THR  13 -10.276   5.932   1.761
  115    HA   THR  13           HA       THR  13  -8.844   6.603  -0.672
  116    HB   THR  13           HB       THR  13  -9.784   8.573   1.432
  117    HG1  THR  13          1HG       THR  13 -11.755   7.589   1.218
  118   HG21  THR  13          1HG2      THR  13  -8.830   9.428  -0.720
  119   HG22  THR  13          2HG2      THR  13 -10.002   8.438  -1.622
  120   HG23  THR  13          3HG2      THR  13 -10.570   9.785  -0.608
  121    H    CYS  14           H        CYS  14  -6.863   7.675  -0.811
  122    HA   CYS  14           HA       CYS  14  -4.995   6.875   1.105
  123    HB2  CYS  14          1HB       CYS  14  -4.728   8.967  -1.082
  124    HB3  CYS  14          2HB       CYS  14  -3.401   8.260  -0.183
  125    H    PRO  15           H        PRO  15  -4.851   7.285   3.382
  126    HA   PRO  15           HA       PRO  15  -6.595   9.852   3.921
  127   1HB   PRO  15          1HB       PRO  15  -4.867   9.312   6.026
  128   2HB   PRO  15          2HB       PRO  15  -6.284   8.396   5.656
  129   1HG   PRO  15          1HG       PRO  15  -3.382   7.827   4.921
  130   2HG   PRO  15          2HG       PRO  15  -4.608   6.726   5.464
  131   1HD   PRO  15          1HD       PRO  15  -4.019   6.874   2.823
  132   2HD   PRO  15          2HD       PRO  15  -5.635   6.535   3.368
  133    H    GLU  16           H        GLU  16  -5.501  11.351   5.910
  134    HA   GLU  16           HA       GLU  16  -4.652  13.573   4.555
  135    HB2  GLU  16          1HB       GLU  16  -4.264  12.845   7.493
  136    HB3  GLU  16          2HB       GLU  16  -4.062  14.458   6.838
  137    HG2  GLU  16          1HG       GLU  16  -6.621  13.342   5.976
  138    HG3  GLU  16          2HG       GLU  16  -6.482  13.247   7.720
  139    H    GLY  17           H        GLY  17  -2.708  14.227   3.722
  140    HA2  GLY  17          1HA       GLY  17  -0.468  14.414   3.459
  141    HA3  GLY  17          2HA       GLY  17  -0.220  13.514   4.944
  142    H    LYS  18           H        LYS  18  -2.282  12.205   2.357
  143    HA   LYS  18           HA       LYS  18  -0.094  10.565   1.372
  144    HB2  LYS  18          1HB       LYS  18  -2.526   9.478   2.802
  145    HB3  LYS  18          2HB       LYS  18  -1.609   8.519   1.660
  146    HG2  LYS  18          1HG       LYS  18  -0.225   7.993   3.385
  147    HG3  LYS  18          2HG       LYS  18   0.391   9.629   3.273
  148    HD2  LYS  18          1HD       LYS  18  -1.930  10.018   4.741
  149    HD3  LYS  18          2HD       LYS  18  -1.434   8.431   5.293
  150    HE2  LYS  18          1HE       LYS  18   0.630  10.642   5.125
  151    HE3  LYS  18          2HE       LYS  18  -0.489  10.622   6.474
  152    HZ1  LYS  18          1HZ       LYS  18   1.515   9.389   6.941
  153    HZ2  LYS  18          2HZ       LYS  18   0.222   8.392   6.973
  154    HZ3  LYS  18          3HZ       LYS  18   1.236   8.374   5.693
  155    H    ASN  19           H        ASN  19  -0.402   9.866  -0.770
  156    HA   ASN  19           HA       ASN  19  -2.967  10.488  -1.942
  157    HB2  ASN  19          1HB       ASN  19  -1.675  12.542  -2.345
  158    HB3  ASN  19          2HB       ASN  19  -0.288  11.623  -2.892
  159   HD21  ASN  19          1HD2      ASN  19  -0.082  12.235  -4.935
  160   HD22  ASN  19          2HD2      ASN  19  -1.275  12.072  -6.179
  161    H    LEU  20           H        LEU  20   0.437   9.296  -2.323
  162    HA   LEU  20           HA       LEU  20  -0.290   7.602  -4.531
  163    HB2  LEU  20          1HB       LEU  20   2.244   8.099  -2.983
  164    HB3  LEU  20          2HB       LEU  20   2.123   6.828  -4.186
  165    HG   LEU  20           HG       LEU  20   1.176   9.370  -5.245
  166   HD11  LEU  20          1HD1      LEU  20   3.879   9.957  -5.271
  167   HD12  LEU  20          2HD1      LEU  20   2.630  10.772  -4.300
  168   HD13  LEU  20          3HD1      LEU  20   3.583   9.446  -3.592
  169   HD21  LEU  20          1HD2      LEU  20   2.205   8.664  -7.141
  170   HD22  LEU  20          2HD2      LEU  20   3.617   8.011  -6.274
  171   HD23  LEU  20          3HD2      LEU  20   2.090   7.096  -6.304
  172    H    CYS  21           H        CYS  21   0.044   5.224  -4.481
  173    HA   CYS  21           HA       CYS  21  -0.869   4.210  -1.901
  174    HB2  CYS  21          1HB       CYS  21  -1.049   2.927  -4.648
  175    HB3  CYS  21          2HB       CYS  21  -1.694   2.262  -3.159
  176    H    TYR  22           H        TYR  22   0.306   2.542  -0.849
  177    HA   TYR  22           HA       TYR  22   2.768   1.676  -2.194
  178    HB2  TYR  22          1HB       TYR  22   3.991   2.278  -0.210
  179    HB3  TYR  22          2HB       TYR  22   2.851   3.600  -0.355
  180    HD1  TYR  22          1HD       TYR  22   3.125   0.215   1.242
  181    HD2  TYR  22          2HD       TYR  22   1.596   4.202   1.509
  182    HE1  TYR  22          1HE       TYR  22   2.257  -0.267   3.583
  183    HE2  TYR  22          2HE       TYR  22   0.731   3.706   3.848
  184    HH   TYR  22           HH       TYR  22   1.729   1.048   5.611
  185    H    LYS  23           H        LYS  23   3.567  -0.409  -1.530
  186    HA   LYS  23           HA       LYS  23   1.690  -1.931   0.124
  187    HB2  LYS  23          1HB       LYS  23   1.830  -2.159  -2.649
  188    HB3  LYS  23          2HB       LYS  23   2.813  -3.491  -2.076
  189    HG2  LYS  23          1HG       LYS  23   0.906  -4.103  -0.485
  190    HG3  LYS  23          2HG       LYS  23  -0.069  -2.881  -1.276
  191    HD2  LYS  23          1HD       LYS  23   1.097  -5.412  -2.505
  192    HD3  LYS  23          2HD       LYS  23  -0.594  -4.984  -2.340
  193    HE2  LYS  23          1HE       LYS  23   0.198  -2.851  -3.809
  194    HE3  LYS  23          2HE       LYS  23   1.434  -3.979  -4.324
  195    HZ1  LYS  23          1HZ       LYS  23  -1.468  -4.289  -4.559
  196    HZ2  LYS  23          2HZ       LYS  23  -0.357  -4.270  -5.756
  197    HZ3  LYS  23          3HZ       LYS  23  -0.449  -5.553  -4.747
  198    H    MET  24           H        MET  24   2.756  -2.743   1.841
  199    HA   MET  24           HA       MET  24   5.632  -3.031   1.557
  200    HB2  MET  24          1HB       MET  24   3.685  -2.603   3.842
  201    HB3  MET  24          2HB       MET  24   5.196  -3.409   4.211
  202    HG2  MET  24          1HG       MET  24   6.469  -1.506   3.841
  203    HG3  MET  24          2HG       MET  24   5.445  -0.941   2.536
  204    HE1  MET  24          1HE       MET  24   5.853  -0.750   6.633
  205    HE2  MET  24          2HE       MET  24   4.099  -0.905   6.903
  206    HE3  MET  24          3HE       MET  24   4.981  -2.180   6.030
  207    H    PHE  25           H        PHE  25   6.722  -4.995   2.044
  208    HA   PHE  25           HA       PHE  25   4.954  -7.289   2.504
  209    HB2  PHE  25          1HB       PHE  25   7.257  -6.812   0.535
  210    HB3  PHE  25          2HB       PHE  25   6.765  -8.439   0.957
  211    HD1  PHE  25          1HD       PHE  25   5.466  -5.259  -0.462
  212    HD2  PHE  25          2HD       PHE  25   4.998  -9.467  -0.176
  213    HE1  PHE  25          1HE       PHE  25   3.691  -5.183  -2.237
  214    HE2  PHE  25          2HE       PHE  25   3.225  -9.390  -1.950
  215    HZ   PHE  25           HZ       PHE  25   2.593  -7.250  -2.960
  216    H    MET  26           H        MET  26   6.488  -9.327   3.008
  217    HA   MET  26           HA       MET  26   8.634  -8.377   4.732
  218    HB2  MET  26          1HB       MET  26   6.425 -10.403   5.378
  219    HB3  MET  26          2HB       MET  26   7.859 -10.217   6.369
  220    HG2  MET  26          1HG       MET  26   7.284  -7.801   6.737
  221    HG3  MET  26          2HG       MET  26   5.841  -7.998   5.761
  222    HE1  MET  26          1HE       MET  26   5.886  -8.270  10.068
  223    HE2  MET  26          2HE       MET  26   7.459  -8.587   9.300
  224    HE3  MET  26          3HE       MET  26   6.522  -7.143   8.846
  225    H    MET  27           H        MET  27  10.264 -10.090   5.267
  226    HA   MET  27           HA       MET  27  11.073 -11.408   3.005
  227    HB2  MET  27          1HB       MET  27  11.726 -11.520   5.960
  228    HB3  MET  27          2HB       MET  27  12.385 -12.793   4.950
  229    HG2  MET  27          1HG       MET  27  12.684  -9.896   4.094
  230    HG3  MET  27          2HG       MET  27  13.762 -10.557   5.308
  231    HE1  MET  27          1HE       MET  27  14.536  -9.297   2.787
  232    HE2  MET  27          2HE       MET  27  15.374 -10.351   1.622
  233    HE3  MET  27          3HE       MET  27  13.630 -10.039   1.447
  234    H    SER  28           H        SER  28   8.543 -12.238   5.187
  235    HA   SER  28           HA       SER  28   8.777 -15.007   5.161
  236    HB2  SER  28          1HB       SER  28   7.307 -14.154   6.785
  237    HB3  SER  28          2HB       SER  28   6.544 -13.041   5.665
  238    HG   SER  28           HG       SER  28   6.291 -15.884   5.287
  239    H    ASP  29           H        ASP  29   6.976 -12.674   3.052
  240    HA   ASP  29           HA       ASP  29   7.237 -14.450   0.870
  241    HB2  ASP  29          1HB       ASP  29   4.679 -14.467   0.456
  242    HB3  ASP  29          2HB       ASP  29   5.303 -15.576   1.661
  243    H    LEU  30           H        LEU  30   8.145 -12.628  -0.232
  244    HA   LEU  30           HA       LEU  30   6.937 -10.065  -0.100
  245    HB2  LEU  30          1HB       LEU  30   9.039 -11.208  -1.944
  246    HB3  LEU  30          2HB       LEU  30   8.584  -9.518  -1.869
  247    HG   LEU  30           HG       LEU  30   9.653 -11.029   0.523
  248   HD11  LEU  30          1HD1      LEU  30  11.828  -9.871   0.010
  249   HD12  LEU  30          2HD1      LEU  30  11.384 -11.191  -1.099
  250   HD13  LEU  30          3HD1      LEU  30  11.167  -9.496  -1.600
  251   HD21  LEU  30          1HD2      LEU  30   9.117  -9.182   1.626
  252   HD22  LEU  30          2HD2      LEU  30  10.286  -8.286   0.627
  253   HD23  LEU  30          3HD2      LEU  30   8.580  -8.388   0.124
  254    H    THR  31           H        THR  31   6.222 -12.978  -1.802
  255    HA   THR  31           HA       THR  31   5.197 -11.823  -4.182
  256    HB   THR  31           HB       THR  31   5.914 -14.190  -4.003
  257    HG1  THR  31          1HG       THR  31   3.842 -15.006  -4.896
  258   HG21  THR  31          1HG2      THR  31   3.407 -14.812  -2.425
  259   HG22  THR  31          2HG2      THR  31   4.898 -15.770  -2.585
  260   HG23  THR  31          3HG2      THR  31   4.871 -14.335  -1.532
  261    H    ILE  32           H        ILE  32   4.004 -12.097  -0.892
  262    HA   ILE  32           HA       ILE  32   1.524 -10.860  -1.829
  263    HB   ILE  32           HB       ILE  32   1.844 -13.370  -0.274
  264   HG12  ILE  32          1HG1      ILE  32  -0.459 -12.473  -2.006
  265   HG13  ILE  32          2HG1      ILE  32   1.021 -13.100  -2.701
  266   HG21  ILE  32          1HG2      ILE  32  -0.648 -12.781   0.494
  267   HG22  ILE  32          2HG2      ILE  32   0.781 -12.427   1.495
  268   HG23  ILE  32          3HG2      ILE  32   0.040 -11.140   0.514
  269   HD11  ILE  32          1HD1      ILE  32  -1.109 -14.521  -1.175
  270   HD12  ILE  32          2HD1      ILE  32  -0.039 -15.121  -2.464
  271   HD13  ILE  32          3HD1      ILE  32   0.559 -15.009  -0.791
  272    H    PRO  33           H        PRO  33   0.912  -8.782  -1.188
  273    HA   PRO  33           HA       PRO  33   3.014  -7.896   1.007
  274   1HB   PRO  33          1HB       PRO  33   0.753  -6.297   1.027
  275   2HB   PRO  33          2HB       PRO  33   1.970  -6.252  -0.197
  276   1HG   PRO  33          1HG       PRO  33  -0.724  -7.675  -0.214
  277   2HG   PRO  33          2HG       PRO  33   0.068  -6.814  -1.496
  278   1HD   PRO  33          1HD       PRO  33   0.164  -9.544  -1.391
  279   2HD   PRO  33          2HD       PRO  33   1.439  -8.599  -2.104
  280    H    VAL  34           H        VAL  34   2.761  -6.855   3.107
  281    HA   VAL  34           HA       VAL  34   1.116  -8.519   4.880
  282    HB   VAL  34           HB       VAL  34   3.847  -7.937   4.885
  283   HG11  VAL  34          1HG1      VAL  34   2.402  -6.363   7.039
  284   HG12  VAL  34          2HG1      VAL  34   4.127  -6.795   7.106
  285   HG13  VAL  34          3HG1      VAL  34   3.521  -5.741   5.805
  286   HG21  VAL  34          1HG2      VAL  34   3.681  -9.803   6.093
  287   HG22  VAL  34          2HG2      VAL  34   3.109  -8.835   7.474
  288   HG23  VAL  34          3HG2      VAL  34   1.937  -9.531   6.329
  289    H    LYS  35           H        LYS  35   1.900  -5.248   3.748
  290    HA   LYS  35           HA       LYS  35  -0.397  -4.294   5.277
  291    HB2  LYS  35          1HB       LYS  35   2.242  -2.807   5.186
  292    HB3  LYS  35          2HB       LYS  35   0.781  -2.313   6.016
  293    HG2  LYS  35          1HG       LYS  35   1.193  -4.883   7.023
  294    HG3  LYS  35          2HG       LYS  35   2.831  -4.293   6.830
  295    HD2  LYS  35          1HD       LYS  35   2.217  -3.595   9.021
  296    HD3  LYS  35          2HD       LYS  35   2.049  -2.145   8.050
  297    HE2  LYS  35          1HE       LYS  35   0.045  -2.216   9.333
  298    HE3  LYS  35          2HE       LYS  35  -0.442  -2.803   7.755
  299    HZ1  LYS  35          1HZ       LYS  35  -0.255  -5.033   8.560
  300    HZ2  LYS  35          2HZ       LYS  35   0.308  -4.536  10.009
  301    HZ3  LYS  35          3HZ       LYS  35  -1.226  -4.193   9.567
  302    H    ARG  36           H        ARG  36  -1.514  -2.532   4.272
  303    HA   ARG  36           HA       ARG  36  -0.485  -1.760   1.691
  304    HB2  ARG  36          1HB       ARG  36  -3.120  -3.197   2.183
  305    HB3  ARG  36          2HB       ARG  36  -2.964  -2.099   0.826
  306    HG2  ARG  36          1HG       ARG  36  -0.670  -3.562   0.501
  307    HG3  ARG  36          2HG       ARG  36  -1.682  -4.769   1.269
  308    HD2  ARG  36          1HD       ARG  36  -3.460  -3.756  -0.569
  309    HD3  ARG  36          2HD       ARG  36  -1.955  -3.501  -1.428
  310    HE   ARG  36           HE       ARG  36  -1.888  -6.141  -0.366
  311   HH11  ARG  36          1HH1      ARG  36  -3.282  -7.768  -3.121
  312   HH12  ARG  36          2HH1      ARG  36  -2.358  -7.959  -1.669
  313   HH21  ARG  36          1HH2      ARG  36  -4.041  -5.664  -3.745
  314   HH22  ARG  36          2HH2      ARG  36  -3.685  -4.287  -2.757
  315    H    GLY  37           H        GLY  37  -0.796   0.442   1.391
  316    HA2  GLY  37          1HA       GLY  37  -3.131   1.801   2.303
  317    HA3  GLY  37          2HA       GLY  37  -1.769   2.102   3.362
  318    H    CYS  38           H        CYS  38  -2.042   4.391   2.573
  319    HA   CYS  38           HA       CYS  38  -0.735   4.706  -0.031
  320    HB2  CYS  38          1HB       CYS  38  -2.825   6.457   1.295
  321    HB3  CYS  38          2HB       CYS  38  -1.876   6.967  -0.087
  322    H    ILE  39           H        ILE  39   0.634   6.780  -0.124
  323    HA   ILE  39           HA       ILE  39   1.469   7.811   2.435
  324    HB   ILE  39           HB       ILE  39   2.730   5.689   2.179
  325   HG12  ILE  39          1HG1      ILE  39   4.835   7.762   1.979
  326   HG13  ILE  39          2HG1      ILE  39   3.558   8.105   3.130
  327   HG21  ILE  39          1HG2      ILE  39   2.880   6.097  -0.417
  328   HG22  ILE  39          2HG2      ILE  39   4.383   6.943   0.021
  329   HG23  ILE  39          3HG2      ILE  39   4.169   5.230   0.453
  330   HD11  ILE  39          1HD1      ILE  39   5.306   5.607   3.026
  331   HD12  ILE  39          2HD1      ILE  39   5.284   6.859   4.292
  332   HD13  ILE  39          3HD1      ILE  39   3.888   5.773   4.090
  333    H    ASP  40           H        ASP  40   3.011   9.663   2.142
  334    HA   ASP  40           HA       ASP  40   2.147  11.141  -0.122
  335    HB2  ASP  40          1HB       ASP  40   3.592  12.950   0.901
  336    HB3  ASP  40          2HB       ASP  40   2.371  12.312   1.982
  337    H    VAL  41           H        VAL  41   5.206   9.712   1.184
  338    HA   VAL  41           HA       VAL  41   6.388  10.067  -1.481
  339    HB   VAL  41           HB       VAL  41   7.629  10.501   1.238
  340   HG11  VAL  41          1HG1      VAL  41   9.498  11.073  -0.829
  341   HG12  VAL  41          2HG1      VAL  41   9.605   9.836   0.447
  342   HG13  VAL  41          3HG1      VAL  41   8.866   9.435  -1.122
  343   HG21  VAL  41          1HG2      VAL  41   8.040  12.733   0.509
  344   HG22  VAL  41          2HG2      VAL  41   7.575  12.348  -1.165
  345   HG23  VAL  41          3HG2      VAL  41   6.341  12.374   0.118
  346    H    CYS  42           H        CYS  42   7.528   8.291  -2.294
  347    HA   CYS  42           HA       CYS  42   6.767   5.804  -1.281
  348    HB2  CYS  42          1HB       CYS  42   7.338   6.317  -3.672
  349    HB3  CYS  42          2HB       CYS  42   9.030   6.387  -3.219
  350    H    PRO  43           H        PRO  43   7.113   4.752   0.770
  351    HA   PRO  43           HA       PRO  43  10.122   5.348   1.705
  352   1HB   PRO  43          1HB       PRO  43   8.665   2.821   2.241
  353   2HB   PRO  43          2HB       PRO  43   9.161   4.047   3.353
  354   1HG   PRO  43          1HG       PRO  43   6.548   3.824   2.672
  355   2HG   PRO  43          2HG       PRO  43   7.251   5.404   2.832
  356   1HD   PRO  43          1HD       PRO  43   6.852   3.869   0.242
  357   2HD   PRO  43          2HD       PRO  43   6.353   5.493   0.615
  358    H    LYS  44           H        LYS  44  12.041   4.166   1.911
  359    HA   LYS  44           HA       LYS  44  12.769   2.733  -0.454
  360    HB2  LYS  44          1HB       LYS  44  14.236   3.500   2.080
  361    HB3  LYS  44          2HB       LYS  44  14.975   2.533   0.819
  362    HG2  LYS  44          1HG       LYS  44  15.554   4.530  -0.122
  363    HG3  LYS  44          2HG       LYS  44  13.891   4.596  -0.669
  364    HD2  LYS  44          1HD       LYS  44  14.088   6.657   0.428
  365    HD3  LYS  44          2HD       LYS  44  13.404   5.661   1.698
  366    HE2  LYS  44          1HE       LYS  44  15.893   5.164   2.369
  367    HE3  LYS  44          2HE       LYS  44  16.298   6.537   1.358
  368    HZ1  LYS  44          1HZ       LYS  44  14.137   7.045   3.147
  369    HZ2  LYS  44          2HZ       LYS  44  15.534   6.689   3.914
  370    HZ3  LYS  44          3HZ       LYS  44  15.478   7.930   2.856
  371    H    ASN  45           H        ASN  45  13.650   0.528  -0.472
  372    HA   ASN  45           HA       ASN  45  11.990  -1.143   1.145
  373    HB2  ASN  45          1HB       ASN  45  14.145  -2.015  -0.841
  374    HB3  ASN  45          2HB       ASN  45  12.766  -2.953  -0.305
  375   HD21  ASN  45          1HD2      ASN  45  13.642  -2.124  -2.982
  376   HD22  ASN  45          2HD2      ASN  45  12.314  -1.287  -3.716
  377    H    SER  46           H        SER  46  13.297  -3.347   1.876
  378    HA   SER  46           HA       SER  46  15.909  -2.645   2.871
  379    HB2  SER  46          1HB       SER  46  15.290  -3.457   5.185
  380    HB3  SER  46          2HB       SER  46  14.546  -1.936   4.731
  381    HG   SER  46           HG       SER  46  12.714  -2.906   5.278
  382    H    LEU  47           H        LEU  47  16.719  -4.770   4.232
  383    HA   LEU  47           HA       LEU  47  16.349  -6.941   2.357
  384    HB2  LEU  47          1HB       LEU  47  18.174  -6.800   4.754
  385    HB3  LEU  47          2HB       LEU  47  18.258  -7.924   3.411
  386    HG   LEU  47           HG       LEU  47  18.406  -5.320   2.291
  387   HD11  LEU  47          1HD1      LEU  47  20.743  -5.373   4.050
  388   HD12  LEU  47          2HD1      LEU  47  19.679  -4.023   3.586
  389   HD13  LEU  47          3HD1      LEU  47  19.213  -5.106   4.920
  390   HD21  LEU  47          1HD2      LEU  47  19.616  -6.746   1.054
  391   HD22  LEU  47          2HD2      LEU  47  20.948  -6.297   2.144
  392   HD23  LEU  47          3HD2      LEU  47  20.015  -7.781   2.445
  393    H    LEU  48           H        LEU  48  14.322  -5.905   4.531
  394    HA   LEU  48           HA       LEU  48  13.789  -8.596   5.569
  395    HB2  LEU  48          1HB       LEU  48  13.396  -6.016   7.088
  396    HB3  LEU  48          2HB       LEU  48  13.007  -7.629   7.651
  397    HG   LEU  48           HG       LEU  48  15.834  -7.039   6.852
  398   HD11  LEU  48          1HD1      LEU  48  15.972  -6.488   9.487
  399   HD12  LEU  48          2HD1      LEU  48  15.838  -5.245   8.221
  400   HD13  LEU  48          3HD1      LEU  48  14.387  -5.773   9.107
  401   HD21  LEU  48          1HD2      LEU  48  15.245  -9.323   7.416
  402   HD22  LEU  48          2HD2      LEU  48  16.319  -8.642   8.661
  403   HD23  LEU  48          3HD2      LEU  48  14.574  -8.794   8.977
  404    H    VAL  49           H        VAL  49  12.468  -5.301   4.843
  405    HA   VAL  49           HA       VAL  49   9.992  -6.663   4.031
  406    HB   VAL  49           HB       VAL  49   8.716  -4.966   4.929
  407   HG11  VAL  49          1HG1      VAL  49   9.675  -4.504   7.258
  408   HG12  VAL  49          2HG1      VAL  49   9.491  -6.208   6.780
  409   HG13  VAL  49          3HG1      VAL  49  11.096  -5.437   6.734
  410   HG21  VAL  49          1HG2      VAL  49   9.306  -2.863   4.444
  411   HG22  VAL  49          2HG2      VAL  49  10.322  -2.910   5.904
  412   HG23  VAL  49          3HG2      VAL  49  11.028  -3.295   4.316
  413    H    LYS  50           H        LYS  50   8.773  -5.438   2.293
  414    HA   LYS  50           HA       LYS  50  10.668  -4.009   0.565
  415    HB2  LYS  50          1HB       LYS  50  10.176  -6.433  -0.088
  416    HB3  LYS  50          2HB       LYS  50   8.544  -5.906  -0.449
  417    HG2  LYS  50          1HG       LYS  50   9.229  -5.118  -2.459
  418    HG3  LYS  50          2HG       LYS  50  10.318  -4.000  -1.662
  419    HD2  LYS  50          1HD       LYS  50  12.138  -5.577  -1.694
  420    HD3  LYS  50          2HD       LYS  50  11.077  -6.919  -2.071
  421    HE2  LYS  50          1HE       LYS  50  10.538  -5.300  -4.214
  422    HE3  LYS  50          2HE       LYS  50  12.188  -4.806  -3.884
  423    HZ1  LYS  50          1HZ       LYS  50  12.888  -7.053  -4.062
  424    HZ2  LYS  50          2HZ       LYS  50  11.358  -7.608  -4.185
  425    HZ3  LYS  50          3HZ       LYS  50  12.001  -6.709  -5.388
  426    H    TYR  51           H        TYR  51   9.724  -2.365  -0.810
  427    HA   TYR  51           HA       TYR  51   7.015  -1.587   0.022
  428    HB2  TYR  51          1HB       TYR  51   9.696  -0.132  -0.081
  429    HB3  TYR  51          2HB       TYR  51   8.247   0.802  -0.393
  430    HD1  TYR  51          1HD       TYR  51   6.743   1.413   1.386
  431    HD2  TYR  51          2HD       TYR  51  10.041  -1.203   2.150
  432    HE1  TYR  51          1HE       TYR  51   6.393   1.693   3.888
  433    HE2  TYR  51          2HE       TYR  51   9.680  -0.915   4.651
  434    HH   TYR  51           HH       TYR  51   8.688   0.372   6.186
  435    H    VAL  52           H        VAL  52   5.662  -1.283  -1.678
  436    HA   VAL  52           HA       VAL  52   6.911  -0.624  -4.253
  437    HB   VAL  52           HB       VAL  52   4.442  -2.306  -4.060
  438   HG11  VAL  52          1HG1      VAL  52   6.357  -3.015  -6.107
  439   HG12  VAL  52          2HG1      VAL  52   4.684  -2.432  -6.274
  440   HG13  VAL  52          3HG1      VAL  52   6.024  -1.267  -6.149
  441   HG21  VAL  52          1HG2      VAL  52   7.161  -3.113  -3.238
  442   HG22  VAL  52          2HG2      VAL  52   5.584  -3.857  -2.882
  443   HG23  VAL  52          3HG2      VAL  52   6.395  -4.186  -4.433
  444    H    CYS  53           H        CYS  53   6.377   1.466  -4.648
  445    HA   CYS  53           HA       CYS  53   3.751   2.355  -3.749
  446    HB2  CYS  53          1HB       CYS  53   5.937   4.139  -4.832
  447    HB3  CYS  53          2HB       CYS  53   4.568   4.575  -3.831
  448    H    CYS  54           H        CYS  54   2.297   3.388  -5.278
  449    HA   CYS  54           HA       CYS  54   3.087   3.247  -8.066
  450    HB2  CYS  54          1HB       CYS  54   0.830   2.169  -8.596
  451    HB3  CYS  54          2HB       CYS  54   2.084   1.126  -7.952
  452    H    ASN  55           H        ASN  55   2.126   4.933  -9.267
  453    HA   ASN  55           HA       ASN  55   0.652   6.810  -7.651
  454    HB2  ASN  55          1HB       ASN  55   1.107   8.401  -9.503
  455    HB3  ASN  55          2HB       ASN  55   2.592   7.611  -9.014
  456   HD21  ASN  55          1HD2      ASN  55   0.414   8.254 -11.528
  457   HD22  ASN  55          2HD2      ASN  55   1.114   7.285 -12.781
  458    H    THR  56           H        THR  56  -0.674   4.324  -8.485
  459    HA   THR  56           HA       THR  56  -2.616   5.391 -10.430
  460    HB   THR  56           HB       THR  56  -2.894   2.651 -10.532
  461    HG1  THR  56          1HG       THR  56  -0.701   1.850 -10.321
  462   HG21  THR  56          1HG2      THR  56  -1.174   2.735 -12.454
  463   HG22  THR  56          2HG2      THR  56  -2.521   3.892 -12.587
  464   HG23  THR  56          3HG2      THR  56  -0.923   4.446 -12.030
  465    H    ASP  57           H        ASP  57  -4.834   4.244 -10.176
  466    HA   ASP  57           HA       ASP  57  -5.522   4.662  -7.421
  467    HB2  ASP  57          1HB       ASP  57  -6.975   4.477 -10.045
  468    HB3  ASP  57          2HB       ASP  57  -7.885   4.026  -8.617
  469    H    ARG  58           H        ARG  58  -6.234   2.980  -6.025
  470    HA   ARG  58           HA       ARG  58  -6.337   0.956  -5.252
  471    HB2  ARG  58          1HB       ARG  58  -7.908   0.604  -7.846
  472    HB3  ARG  58          2HB       ARG  58  -7.830  -0.659  -6.635
  473    HG2  ARG  58          1HG       ARG  58  -9.562   0.354  -5.578
  474    HG3  ARG  58          2HG       ARG  58  -8.464   1.652  -5.152
  475    HD2  ARG  58          1HD       ARG  58  -9.564   3.089  -6.524
  476    HD3  ARG  58          2HD       ARG  58  -9.285   2.040  -7.900
  477    HE   ARG  58           HE       ARG  58 -11.371   0.827  -6.460
  478   HH11  ARG  58          1HH1      ARG  58 -14.077   2.574  -7.801
  479   HH12  ARG  58          2HH1      ARG  58 -13.578   1.147  -6.955
  480   HH21  ARG  58          1HH2      ARG  58 -12.504   4.159  -8.432
  481   HH22  ARG  58          2HH2      ARG  58 -10.830   3.915  -8.056
  482    H    CYS  59           H        CYS  59  -4.029   1.619  -7.132
  483    HA   CYS  59           HA       CYS  59  -3.453  -0.613  -8.703
  484    HB2  CYS  59          1HB       CYS  59  -1.069   0.269  -8.556
  485    HB3  CYS  59          2HB       CYS  59  -2.273   1.366  -9.202
  486    H    ASN  60           H        ASN  60  -2.835   0.283  -5.271
  487    HA   ASN  60           HA       ASN  60  -1.300  -2.095  -4.860
  488    HB2  ASN  60          1HB       ASN  60  -0.947  -1.248  -2.626
  489    HB3  ASN  60          2HB       ASN  60  -0.923   0.162  -3.668
  490   HD21  ASN  60          1HD2      ASN  60  -1.799  -0.643  -0.783
  491   HD22  ASN  60          2HD2      ASN  60  -3.293   0.203  -0.550
  492    H1   HOH 101          1H        HOH  61   4.748 -11.011   2.734
  493    H2   HOH 101          2H        HOH  61   3.770  -9.858   2.794
  Start of MODEL   12
    1    H1   LEU   1           H        LEU   1  -5.449  10.473  -4.951
    2    HA   LEU   1           HA       LEU   1  -6.788   8.508  -6.124
    3    HB2  LEU   1          1HB       LEU   1  -4.070   8.990  -5.336
    4    HB3  LEU   1          2HB       LEU   1  -4.425   7.283  -5.164
    5    HG   LEU   1           HG       LEU   1  -5.153   7.171  -7.505
    6   HD11  LEU   1          1HD1      LEU   1  -5.461   9.936  -7.282
    7   HD12  LEU   1          2HD1      LEU   1  -4.097   9.718  -8.405
    8   HD13  LEU   1          3HD1      LEU   1  -5.663   8.943  -8.746
    9   HD21  LEU   1          1HD2      LEU   1  -2.615   8.397  -8.091
   10   HD22  LEU   1          2HD2      LEU   1  -2.524   7.506  -6.552
   11   HD23  LEU   1          3HD2      LEU   1  -3.057   6.675  -8.033
   12    H    LYS   2           H        LYS   2  -6.787   6.047  -5.602
   13    HA   LYS   2           HA       LYS   2  -7.646   5.747  -2.808
   14    HB2  LYS   2          1HB       LYS   2  -8.831   4.573  -5.337
   15    HB3  LYS   2          2HB       LYS   2  -9.219   3.989  -3.732
   16    HG2  LYS   2          1HG       LYS   2 -10.663   5.706  -3.388
   17    HG3  LYS   2          2HG       LYS   2  -9.420   6.887  -3.748
   18    HD2  LYS   2          1HD       LYS   2 -10.255   7.272  -5.830
   19    HD3  LYS   2          2HD       LYS   2 -10.319   5.560  -6.202
   20    HE2  LYS   2          1HE       LYS   2 -12.423   5.621  -4.530
   21    HE3  LYS   2          2HE       LYS   2 -12.445   7.316  -4.970
   22    HZ1  LYS   2          1HZ       LYS   2 -12.963   5.005  -6.611
   23    HZ2  LYS   2          2HZ       LYS   2 -13.642   6.489  -6.657
   24    HZ3  LYS   2          3HZ       LYS   2 -12.182   6.239  -7.342
   25    H    CYS   3           H        CYS   3  -7.044   3.824  -1.722
   26    HA   CYS   3           HA       CYS   3  -5.201   2.118  -3.215
   27    HB2  CYS   3          1HB       CYS   3  -4.585   2.916  -0.372
   28    HB3  CYS   3          2HB       CYS   3  -3.529   2.185  -1.564
   29    H    ASN   4           H        ASN   4  -5.157  -0.098  -2.400
   30    HA   ASN   4           HA       ASN   4  -7.606  -0.730  -1.029
   31    HB2  ASN   4          1HB       ASN   4  -5.544  -2.752  -1.998
   32    HB3  ASN   4          2HB       ASN   4  -7.275  -2.971  -1.837
   33   HD21  ASN   4          1HD2      ASN   4  -5.890  -3.613  -4.134
   34   HD22  ASN   4          2HD2      ASN   4  -6.363  -2.573  -5.436
   35    H    LYS   5           H        LYS   5  -7.469  -2.504   0.747
   36    HA   LYS   5           HA       LYS   5  -5.229  -1.861   2.491
   37    HB2  LYS   5          1HB       LYS   5  -7.838  -3.292   3.078
   38    HB3  LYS   5          2HB       LYS   5  -6.627  -2.835   4.259
   39    HG2  LYS   5          1HG       LYS   5  -8.397  -1.015   2.587
   40    HG3  LYS   5          2HG       LYS   5  -8.270  -1.093   4.333
   41    HD2  LYS   5          1HD       LYS   5  -6.117  -0.083   2.415
   42    HD3  LYS   5          2HD       LYS   5  -7.094   0.904   3.483
   43    HE2  LYS   5          1HE       LYS   5  -5.047  -1.198   4.332
   44    HE3  LYS   5          2HE       LYS   5  -4.882   0.539   4.495
   45    HZ1  LYS   5          1HZ       LYS   5  -6.172  -1.249   6.208
   46    HZ2  LYS   5          2HZ       LYS   5  -5.881   0.343   6.430
   47    HZ3  LYS   5          3HZ       LYS   5  -7.258  -0.142   5.696
   48    H    LEU   6           H        LEU   6  -5.051  -4.116   4.082
   49    HA   LEU   6           HA       LEU   6  -3.272  -5.684   2.789
   50    HB2  LEU   6          1HB       LEU   6  -3.960  -5.528   5.266
   51    HB3  LEU   6          2HB       LEU   6  -5.116  -6.790   4.890
   52    HG   LEU   6           HG       LEU   6  -3.447  -8.379   4.444
   53   HD11  LEU   6          1HD1      LEU   6  -1.004  -7.762   4.325
   54   HD12  LEU   6          2HD1      LEU   6  -2.006  -7.216   2.959
   55   HD13  LEU   6          3HD1      LEU   6  -1.517  -6.061   4.222
   56   HD21  LEU   6          1HD2      LEU   6  -2.151  -6.791   6.658
   57   HD22  LEU   6          2HD2      LEU   6  -3.719  -7.608   6.865
   58   HD23  LEU   6          3HD2      LEU   6  -2.269  -8.556   6.465
   59    H    VAL   7           H        VAL   7  -6.843  -6.194   3.021
   60    HA   VAL   7           HA       VAL   7  -6.540  -8.294   0.995
   61    HB   VAL   7           HB       VAL   7  -9.079  -7.852   2.482
   62   HG11  VAL   7          1HG1      VAL   7  -9.203 -10.290   2.354
   63   HG12  VAL   7          2HG1      VAL   7  -8.881  -9.594   0.748
   64   HG13  VAL   7          3HG1      VAL   7  -7.560 -10.354   1.670
   65   HG21  VAL   7          1HG2      VAL   7  -7.909  -7.783   4.440
   66   HG22  VAL   7          2HG2      VAL   7  -7.936  -9.548   4.212
   67   HG23  VAL   7          3HG2      VAL   7  -6.491  -8.613   3.755
   68    H    PRO   8           H        PRO   8  -6.517  -7.876  -1.226
   69    HA   PRO   8           HA       PRO   8  -7.834  -5.114  -1.787
   70   1HB   PRO   8          1HB       PRO   8  -8.076  -7.510  -3.574
   71   2HB   PRO   8          2HB       PRO   8  -7.312  -5.994  -3.898
   72   1HG   PRO   8          1HG       PRO   8  -5.773  -8.109  -3.284
   73   2HG   PRO   8          2HG       PRO   8  -5.402  -6.584  -2.544
   74   1HD   PRO   8          1HD       PRO   8  -6.932  -8.878  -1.289
   75   2HD   PRO   8          2HD       PRO   8  -5.629  -7.945  -0.610
   76    H    ILE   9           H        ILE   9  -9.969  -7.248  -0.350
   77    HA   ILE   9           HA       ILE   9 -12.170  -6.752  -2.153
   78    HB   ILE   9           HB       ILE   9 -12.082  -8.905  -1.194
   79   HG12  ILE   9          1HG1      ILE   9 -14.234  -9.093  -0.143
   80   HG13  ILE   9          2HG1      ILE   9 -14.200  -7.421   0.378
   81   HG21  ILE   9          1HG2      ILE   9 -10.700  -8.799   0.663
   82   HG22  ILE   9          2HG2      ILE   9 -11.608  -7.457   1.398
   83   HG23  ILE   9          3HG2      ILE   9 -12.298  -9.097   1.388
   84   HD11  ILE   9          1HD1      ILE   9 -15.429  -8.254  -1.910
   85   HD12  ILE   9          2HD1      ILE   9 -14.779  -6.612  -1.696
   86   HD13  ILE   9          3HD1      ILE   9 -13.821  -7.844  -2.553
   87    H    ALA  10           H        ALA  10 -10.485  -4.859  -0.036
   88    HA   ALA  10           HA       ALA  10 -12.730  -3.086   0.267
   89    HB1  ALA  10          1HB       ALA  10 -13.179  -4.214   2.271
   90    HB2  ALA  10          2HB       ALA  10 -11.460  -4.537   2.591
   91    HB3  ALA  10          3HB       ALA  10 -12.110  -2.894   2.805
   92    H    TYR  11           H        TYR  11 -12.006  -1.039  -0.086
   93    HA   TYR  11           HA       TYR  11  -9.194  -0.486   0.537
   94    HB2  TYR  11          1HB       TYR  11  -8.975   0.497  -1.699
   95    HB3  TYR  11          2HB       TYR  11  -9.719  -1.069  -1.944
   96    HD1  TYR  11          1HD       TYR  11  -9.952   2.391  -2.650
   97    HD2  TYR  11          2HD       TYR  11 -12.360  -1.086  -2.000
   98    HE1  TYR  11          1HE       TYR  11 -11.890   3.496  -3.871
   99    HE2  TYR  11          2HE       TYR  11 -14.289   0.030  -3.224
  100    HH   TYR  11           HH       TYR  11 -14.508   1.809  -4.993
  101    H    LYS  12           H        LYS  12  -8.739   1.927   0.534
  102    HA   LYS  12           HA       LYS  12 -11.152   3.476   1.106
  103    HB2  LYS  12          1HB       LYS  12  -8.734   3.288   2.929
  104    HB3  LYS  12          2HB       LYS  12 -10.047   4.436   3.111
  105    HG2  LYS  12          1HG       LYS  12 -11.528   2.173   2.968
  106    HG3  LYS  12          2HG       LYS  12 -10.044   1.460   3.565
  107    HD2  LYS  12          1HD       LYS  12 -10.270   2.409   5.639
  108    HD3  LYS  12          2HD       LYS  12 -10.777   3.953   4.986
  109    HE2  LYS  12          1HE       LYS  12 -12.765   1.757   4.641
  110    HE3  LYS  12          2HE       LYS  12 -12.443   2.187   6.309
  111    HZ1  LYS  12          1HZ       LYS  12 -12.993   4.242   4.299
  112    HZ2  LYS  12          2HZ       LYS  12 -14.203   3.482   5.090
  113    HZ3  LYS  12          3HZ       LYS  12 -13.107   4.358   5.925
  114    H    THR  13           H        THR  13 -10.045   5.910   1.694
  115    HA   THR  13           HA       THR  13  -8.698   6.518  -0.828
  116    HB   THR  13           HB       THR  13  -9.833   8.544  -0.690
  117    HG1  THR  13          1HG       THR  13 -10.211   9.369   1.633
  118   HG21  THR  13          1HG2      THR  13 -11.489   6.552   0.085
  119   HG22  THR  13          2HG2      THR  13 -11.448   7.456   1.618
  120   HG23  THR  13          3HG2      THR  13 -12.009   8.254   0.130
  121    H    CYS  14           H        CYS  14  -6.736   7.592  -0.994
  122    HA   CYS  14           HA       CYS  14  -4.902   6.993   1.024
  123    HB2  CYS  14          1HB       CYS  14  -4.603   8.941  -1.286
  124    HB3  CYS  14          2HB       CYS  14  -3.297   8.273  -0.328
  125    H    PRO  15           H        PRO  15  -4.843   7.578   3.270
  126    HA   PRO  15           HA       PRO  15  -6.689  10.112   3.547
  127   1HB   PRO  15          1HB       PRO  15  -5.022   9.797   5.747
  128   2HB   PRO  15          2HB       PRO  15  -6.395   8.808   5.402
  129   1HG   PRO  15          1HG       PRO  15  -3.452   8.284   4.812
  130   2HG   PRO  15          2HG       PRO  15  -4.663   7.186   5.393
  131   1HD   PRO  15          1HD       PRO  15  -3.980   7.154   2.772
  132   2HD   PRO  15          2HD       PRO  15  -5.606   6.807   3.281
  133    H    GLU  16           H        GLU  16  -5.760  11.813   5.435
  134    HA   GLU  16           HA       GLU  16  -4.864  13.924   3.908
  135    HB2  GLU  16          1HB       GLU  16  -4.754  13.556   6.936
  136    HB3  GLU  16          2HB       GLU  16  -4.575  15.089   6.108
  137    HG2  GLU  16          1HG       GLU  16  -7.021  13.369   5.594
  138    HG3  GLU  16          2HG       GLU  16  -6.946  14.376   7.026
  139    H    GLY  17           H        GLY  17  -2.866  14.421   3.118
  140    HA2  GLY  17          1HA       GLY  17  -0.604  14.753   3.186
  141    HA3  GLY  17          2HA       GLY  17  -0.503  13.887   4.707
  142    H    LYS  18           H        LYS  18  -2.306  12.437   2.026
  143    HA   LYS  18           HA       LYS  18  -0.031  10.939   1.095
  144    HB2  LYS  18          1HB       LYS  18  -2.295   9.463   2.465
  145    HB3  LYS  18          2HB       LYS  18  -0.885   8.755   1.701
  146    HG2  LYS  18          1HG       LYS  18   0.579  10.007   3.347
  147    HG3  LYS  18          2HG       LYS  18  -0.868  10.587   4.146
  148    HD2  LYS  18          1HD       LYS  18  -1.530   8.041   4.300
  149    HD3  LYS  18          2HD       LYS  18   0.161   7.736   3.959
  150    HE2  LYS  18          1HE       LYS  18   0.189   7.811   6.301
  151    HE3  LYS  18          2HE       LYS  18   0.608   9.467   5.913
  152    HZ1  LYS  18          1HZ       LYS  18  -1.454  10.195   6.491
  153    HZ2  LYS  18          2HZ       LYS  18  -2.201   8.772   6.197
  154    HZ3  LYS  18          3HZ       LYS  18  -1.297   8.956   7.544
  155    H    ASN  19           H        ASN  19  -0.366  10.120  -0.987
  156    HA   ASN  19           HA       ASN  19  -3.069  10.347  -1.997
  157    HB2  ASN  19          1HB       ASN  19  -2.074  12.472  -2.666
  158    HB3  ASN  19          2HB       ASN  19  -0.587  11.692  -3.171
  159   HD21  ASN  19          1HD2      ASN  19  -0.345  11.479  -5.250
  160   HD22  ASN  19          2HD2      ASN  19  -1.584  11.280  -6.444
  161    H    LEU  20           H        LEU  20   0.384   9.370  -2.394
  162    HA   LEU  20           HA       LEU  20  -0.195   7.563  -4.539
  163    HB2  LEU  20          1HB       LEU  20   2.237   8.203  -2.889
  164    HB3  LEU  20          2HB       LEU  20   2.221   6.863  -4.017
  165    HG   LEU  20           HG       LEU  20   1.259   9.312  -5.267
  166   HD11  LEU  20          1HD1      LEU  20   4.166   9.453  -4.533
  167   HD12  LEU  20          2HD1      LEU  20   3.067  10.737  -5.092
  168   HD13  LEU  20          3HD1      LEU  20   2.933  10.111  -3.432
  169   HD21  LEU  20          1HD2      LEU  20   2.041   8.199  -7.014
  170   HD22  LEU  20          2HD2      LEU  20   3.700   8.345  -6.385
  171   HD23  LEU  20          3HD2      LEU  20   2.695   6.948  -5.930
  172    H    CYS  21           H        CYS  21   0.029   5.220  -4.434
  173    HA   CYS  21           HA       CYS  21  -0.843   4.251  -1.822
  174    HB2  CYS  21          1HB       CYS  21  -1.111   2.898  -4.525
  175    HB3  CYS  21          2HB       CYS  21  -1.792   2.343  -3.009
  176    H    TYR  22           H        TYR  22   0.353   2.620  -0.762
  177    HA   TYR  22           HA       TYR  22   2.748   1.670  -2.177
  178    HB2  TYR  22          1HB       TYR  22   4.022   2.215  -0.187
  179    HB3  TYR  22          2HB       TYR  22   2.972   3.602  -0.393
  180    HD1  TYR  22          1HD       TYR  22   1.751   4.358   1.438
  181    HD2  TYR  22          2HD       TYR  22   3.019   0.273   1.340
  182    HE1  TYR  22          1HE       TYR  22   0.848   4.014   3.790
  183    HE2  TYR  22          2HE       TYR  22   2.111  -0.057   3.692
  184    HH   TYR  22           HH       TYR  22   0.796   2.671   5.517
  185    H    LYS  23           H        LYS  23   3.518  -0.427  -1.529
  186    HA   LYS  23           HA       LYS  23   1.650  -1.901   0.184
  187    HB2  LYS  23          1HB       LYS  23   1.831  -2.172  -2.617
  188    HB3  LYS  23          2HB       LYS  23   2.681  -3.556  -1.958
  189    HG2  LYS  23          1HG       LYS  23   0.758  -4.221  -0.631
  190    HG3  LYS  23          2HG       LYS  23  -0.067  -2.707  -0.945
  191    HD2  LYS  23          1HD       LYS  23  -0.862  -4.709  -2.335
  192    HD3  LYS  23          2HD       LYS  23  -0.465  -3.266  -3.247
  193    HE2  LYS  23          1HE       LYS  23   1.864  -4.239  -3.628
  194    HE3  LYS  23          2HE       LYS  23   1.313  -5.721  -2.872
  195    HZ1  LYS  23          1HZ       LYS  23  -0.062  -4.515  -5.166
  196    HZ2  LYS  23          2HZ       LYS  23   1.120  -5.630  -5.327
  197    HZ3  LYS  23          3HZ       LYS  23  -0.269  -6.018  -4.562
  198    H    MET  24           H        MET  24   2.715  -2.756   1.879
  199    HA   MET  24           HA       MET  24   5.587  -3.032   1.592
  200    HB2  MET  24          1HB       MET  24   3.627  -2.702   3.882
  201    HB3  MET  24          2HB       MET  24   5.148  -3.498   4.229
  202    HG2  MET  24          1HG       MET  24   6.381  -1.563   3.968
  203    HG3  MET  24          2HG       MET  24   5.407  -0.995   2.628
  204    HE1  MET  24          1HE       MET  24   4.686  -1.891   6.535
  205    HE2  MET  24          2HE       MET  24   6.196  -0.998   6.233
  206    HE3  MET  24          3HE       MET  24   4.845  -0.203   7.075
  207    H    PHE  25           H        PHE  25   6.697  -5.000   2.016
  208    HA   PHE  25           HA       PHE  25   4.950  -7.325   2.389
  209    HB2  PHE  25          1HB       PHE  25   7.252  -6.745   0.448
  210    HB3  PHE  25          2HB       PHE  25   6.803  -8.397   0.824
  211    HD1  PHE  25          1HD       PHE  25   5.019  -9.436  -0.291
  212    HD2  PHE  25          2HD       PHE  25   5.468  -5.224  -0.562
  213    HE1  PHE  25          1HE       PHE  25   3.248  -9.360  -2.069
  214    HE2  PHE  25          2HE       PHE  25   3.697  -5.150  -2.339
  215    HZ   PHE  25           HZ       PHE  25   2.608  -7.219  -3.071
  216    H    MET  26           H        MET  26   6.467  -9.360   2.871
  217    HA   MET  26           HA       MET  26   8.586  -8.442   4.650
  218    HB2  MET  26          1HB       MET  26   6.425 -10.559   5.160
  219    HB3  MET  26          2HB       MET  26   7.827 -10.361   6.192
  220    HG2  MET  26          1HG       MET  26   7.157  -7.985   6.643
  221    HG3  MET  26          2HG       MET  26   5.750  -8.191   5.618
  222    HE1  MET  26          1HE       MET  26   5.025 -11.615   6.926
  223    HE2  MET  26          2HE       MET  26   3.554 -10.663   7.235
  224    HE3  MET  26          3HE       MET  26   4.498 -10.384   5.753
  225    H    MET  27           H        MET  27  10.322 -10.021   5.030
  226    HA   MET  27           HA       MET  27  11.130 -11.277   2.743
  227    HB2  MET  27          1HB       MET  27  11.859 -11.391   5.677
  228    HB3  MET  27          2HB       MET  27  12.542 -12.633   4.645
  229    HG2  MET  27          1HG       MET  27  12.753  -9.952   3.429
  230    HG3  MET  27          2HG       MET  27  13.546 -10.028   4.989
  231    HE1  MET  27          1HE       MET  27  14.253 -13.027   1.601
  232    HE2  MET  27          2HE       MET  27  12.717 -12.291   2.116
  233    HE3  MET  27          3HE       MET  27  13.873 -11.351   1.143
  234    H    SER  28           H        SER  28   8.719 -12.280   5.003
  235    HA   SER  28           HA       SER  28   9.087 -15.032   4.882
  236    HB2  SER  28          1HB       SER  28   7.654 -14.300   6.593
  237    HB3  SER  28          2HB       SER  28   6.787 -13.196   5.544
  238    HG   SER  28           HG       SER  28   5.386 -14.743   5.080
  239    H    ASP  29           H        ASP  29   7.156 -12.709   2.892
  240    HA   ASP  29           HA       ASP  29   7.358 -14.447   0.675
  241    HB2  ASP  29          1HB       ASP  29   4.698 -14.304   0.438
  242    HB3  ASP  29          2HB       ASP  29   5.463 -15.629   1.288
  243    H    LEU  30           H        LEU  30   8.205 -12.595  -0.427
  244    HA   LEU  30           HA       LEU  30   6.947 -10.054  -0.216
  245    HB2  LEU  30          1HB       LEU  30   9.038 -11.102  -2.130
  246    HB3  LEU  30          2HB       LEU  30   8.554  -9.425  -1.980
  247    HG   LEU  30           HG       LEU  30   9.690 -10.998   0.339
  248   HD11  LEU  30          1HD1      LEU  30  11.490 -11.135  -1.089
  249   HD12  LEU  30          2HD1      LEU  30  11.101  -9.604  -1.911
  250   HD13  LEU  30          3HD1      LEU  30  11.804  -9.582  -0.275
  251   HD21  LEU  30          1HD2      LEU  30   9.128  -9.186   1.489
  252   HD22  LEU  30          2HD2      LEU  30  10.321  -8.272   0.534
  253   HD23  LEU  30          3HD2      LEU  30   8.622  -8.333   0.011
  254    H    THR  31           H        THR  31   6.231 -12.953  -1.916
  255    HA   THR  31           HA       THR  31   5.159 -11.790  -4.278
  256    HB   THR  31           HB       THR  31   5.830 -14.098  -4.343
  257    HG1  THR  31          1HG       THR  31   3.801 -14.911  -5.030
  258   HG21  THR  31          1HG2      THR  31   4.698 -14.153  -1.637
  259   HG22  THR  31          2HG2      THR  31   4.014 -15.457  -2.636
  260   HG23  THR  31          3HG2      THR  31   5.776 -15.333  -2.417
  261    H    ILE  32           H        ILE  32   4.068 -12.007  -0.974
  262    HA   ILE  32           HA       ILE  32   1.533 -10.854  -1.855
  263    HB   ILE  32           HB       ILE  32   1.458 -12.775   0.413
  264   HG12  ILE  32          1HG1      ILE  32   1.374 -13.699  -2.474
  265   HG13  ILE  32          2HG1      ILE  32   2.726 -13.955  -1.388
  266   HG21  ILE  32          1HG2      ILE  32  -0.390 -11.388  -1.374
  267   HG22  ILE  32          2HG2      ILE  32  -0.754 -13.122  -1.205
  268   HG23  ILE  32          3HG2      ILE  32  -0.657 -12.089   0.240
  269   HD11  ILE  32          1HD1      ILE  32  -0.122 -14.982  -1.003
  270   HD12  ILE  32          2HD1      ILE  32   1.321 -15.953  -1.378
  271   HD13  ILE  32          3HD1      ILE  32   1.174 -15.153   0.205
  272    H    PRO  33           H        PRO  33   0.960  -8.762  -1.235
  273    HA   PRO  33           HA       PRO  33   3.086  -7.876   0.933
  274   1HB   PRO  33          1HB       PRO  33   0.833  -6.262   0.964
  275   2HB   PRO  33          2HB       PRO  33   2.040  -6.234  -0.273
  276   1HG   PRO  33          1HG       PRO  33  -0.659  -7.648  -0.252
  277   2HG   PRO  33          2HG       PRO  33   0.118  -6.790  -1.546
  278   1HD   PRO  33          1HD       PRO  33   0.211  -9.517  -1.441
  279   2HD   PRO  33          2HD       PRO  33   1.483  -8.577  -2.161
  280    H    VAL  34           H        VAL  34   2.873  -6.824   3.030
  281    HA   VAL  34           HA       VAL  34   1.295  -8.499   4.844
  282    HB   VAL  34           HB       VAL  34   3.661  -8.586   5.231
  283   HG11  VAL  34          1HG1      VAL  34   4.517  -6.635   4.205
  284   HG12  VAL  34          2HG1      VAL  34   3.509  -5.564   5.209
  285   HG13  VAL  34          3HG1      VAL  34   4.869  -6.449   5.940
  286   HG21  VAL  34          1HG2      VAL  34   3.466  -7.021   7.539
  287   HG22  VAL  34          2HG2      VAL  34   1.787  -7.487   7.170
  288   HG23  VAL  34          3HG2      VAL  34   3.034  -8.741   7.372
  289    H    LYS  35           H        LYS  35   2.125  -5.116   3.929
  290    HA   LYS  35           HA       LYS  35  -0.315  -4.302   5.338
  291    HB2  LYS  35          1HB       LYS  35   2.195  -2.619   5.217
  292    HB3  LYS  35          2HB       LYS  35   0.742  -2.321   6.147
  293    HG2  LYS  35          1HG       LYS  35   1.808  -4.973   6.766
  294    HG3  LYS  35          2HG       LYS  35   3.051  -3.757   6.980
  295    HD2  LYS  35          1HD       LYS  35   2.020  -3.700   9.077
  296    HD3  LYS  35          2HD       LYS  35   1.158  -2.413   8.256
  297    HE2  LYS  35          1HE       LYS  35  -0.308  -4.708   7.563
  298    HE3  LYS  35          2HE       LYS  35   0.154  -5.017   9.224
  299    HZ1  LYS  35          1HZ       LYS  35  -0.721  -2.347   8.810
  300    HZ2  LYS  35          2HZ       LYS  35  -1.873  -3.442   8.434
  301    HZ3  LYS  35          3HZ       LYS  35  -1.207  -3.438   9.924
  302    H    ARG  36           H        ARG  36  -1.435  -2.473   4.369
  303    HA   ARG  36           HA       ARG  36  -0.480  -1.760   1.746
  304    HB2  ARG  36          1HB       ARG  36  -3.132  -3.138   2.330
  305    HB3  ARG  36          2HB       ARG  36  -2.959  -2.100   0.930
  306    HG2  ARG  36          1HG       ARG  36  -0.697  -3.645   0.672
  307    HG3  ARG  36          2HG       ARG  36  -1.769  -4.790   1.456
  308    HD2  ARG  36          1HD       ARG  36  -3.504  -3.834  -0.403
  309    HD3  ARG  36          2HD       ARG  36  -2.008  -3.516  -1.259
  310    HE   ARG  36           HE       ARG  36  -1.882  -6.174  -0.217
  311   HH11  ARG  36          1HH1      ARG  36  -3.124  -7.786  -3.051
  312   HH12  ARG  36          2HH1      ARG  36  -2.256  -7.980  -1.565
  313   HH21  ARG  36          1HH2      ARG  36  -3.908  -5.693  -3.672
  314   HH22  ARG  36          2HH2      ARG  36  -3.626  -4.324  -2.649
  315    H    GLY  37           H        GLY  37  -0.582   0.463   1.649
  316    HA2  GLY  37          1HA       GLY  37  -2.949   1.854   2.547
  317    HA3  GLY  37          2HA       GLY  37  -1.530   2.148   3.534
  318    H    CYS  38           H        CYS  38  -1.931   4.433   2.677
  319    HA   CYS  38           HA       CYS  38  -0.663   4.699   0.047
  320    HB2  CYS  38          1HB       CYS  38  -2.805   6.397   1.352
  321    HB3  CYS  38          2HB       CYS  38  -1.853   6.958  -0.009
  322    H    ILE  39           H        ILE  39   0.598   6.867  -0.118
  323    HA   ILE  39           HA       ILE  39   1.454   7.995   2.376
  324    HB   ILE  39           HB       ILE  39   2.746   5.881   2.238
  325   HG12  ILE  39          1HG1      ILE  39   4.819   7.974   1.929
  326   HG13  ILE  39          2HG1      ILE  39   3.537   8.357   3.060
  327   HG21  ILE  39          1HG2      ILE  39   2.902   5.889  -0.278
  328   HG22  ILE  39          2HG2      ILE  39   4.166   7.132  -0.122
  329   HG23  ILE  39          3HG2      ILE  39   4.412   5.518   0.586
  330   HD11  ILE  39          1HD1      ILE  39   5.386   5.939   3.101
  331   HD12  ILE  39          2HD1      ILE  39   5.211   7.208   4.337
  332   HD13  ILE  39          3HD1      ILE  39   3.907   6.023   4.086
  333    H    ASP  40           H        ASP  40   2.991   9.840   1.982
  334    HA   ASP  40           HA       ASP  40   2.107  11.184  -0.363
  335    HB2  ASP  40          1HB       ASP  40   2.477  12.215   1.964
  336    HB3  ASP  40          2HB       ASP  40   4.198  12.082   1.668
  337    H    VAL  41           H        VAL  41   5.178   9.876   1.038
  338    HA   VAL  41           HA       VAL  41   6.376  10.106  -1.634
  339    HB   VAL  41           HB       VAL  41   7.556  10.737   1.068
  340   HG11  VAL  41          1HG1      VAL  41   9.502  11.119  -0.969
  341   HG12  VAL  41          2HG1      VAL  41   9.553   9.996   0.411
  342   HG13  VAL  41          3HG1      VAL  41   8.870   9.464  -1.145
  343   HG21  VAL  41          1HG2      VAL  41   6.294  12.431  -0.513
  344   HG22  VAL  41          2HG2      VAL  41   7.792  12.905   0.323
  345   HG23  VAL  41          3HG2      VAL  41   7.843  12.431  -1.391
  346    H    CYS  42           H        CYS  42   7.465   8.285  -2.374
  347    HA   CYS  42           HA       CYS  42   6.766   5.857  -1.193
  348    HB2  CYS  42          1HB       CYS  42   7.220   6.153  -3.610
  349    HB3  CYS  42          2HB       CYS  42   8.918   6.416  -3.263
  350    H    PRO  43           H        PRO  43   7.179   4.931   0.904
  351    HA   PRO  43           HA       PRO  43  10.187   5.618   1.741
  352   1HB   PRO  43          1HB       PRO  43   8.793   3.084   2.408
  353   2HB   PRO  43          2HB       PRO  43   9.293   4.358   3.462
  354   1HG   PRO  43          1HG       PRO  43   6.672   4.076   2.850
  355   2HG   PRO  43          2HG       PRO  43   7.355   5.670   2.930
  356   1HD   PRO  43          1HD       PRO  43   6.913   4.026   0.416
  357   2HD   PRO  43          2HD       PRO  43   6.408   5.660   0.732
  358    H    LYS  44           H        LYS  44  12.121   4.446   2.016
  359    HA   LYS  44           HA       LYS  44  12.911   3.009  -0.313
  360    HB2  LYS  44          1HB       LYS  44  14.327   3.630   2.295
  361    HB3  LYS  44          2HB       LYS  44  15.081   2.818   0.938
  362    HG2  LYS  44          1HG       LYS  44  13.794   5.116  -0.159
  363    HG3  LYS  44          2HG       LYS  44  14.569   5.665   1.314
  364    HD2  LYS  44          1HD       LYS  44  16.538   4.041   0.209
  365    HD3  LYS  44          2HD       LYS  44  15.792   4.721  -1.223
  366    HE2  LYS  44          1HE       LYS  44  16.144   7.010  -0.390
  367    HE3  LYS  44          2HE       LYS  44  16.729   6.406   1.148
  368    HZ1  LYS  44          1HZ       LYS  44  18.570   5.400   0.010
  369    HZ2  LYS  44          2HZ       LYS  44  18.011   5.886  -1.445
  370    HZ3  LYS  44          3HZ       LYS  44  18.515   6.992  -0.353
  371    H    ASN  45           H        ASN  45  13.663   0.796  -0.407
  372    HA   ASN  45           HA       ASN  45  12.001  -0.872   1.209
  373    HB2  ASN  45          1HB       ASN  45  14.089  -1.780  -0.827
  374    HB3  ASN  45          2HB       ASN  45  12.658  -2.652  -0.313
  375   HD21  ASN  45          1HD2      ASN  45  13.977  -0.809  -2.694
  376   HD22  ASN  45          2HD2      ASN  45  12.556  -0.226  -3.496
  377    H    SER  46           H        SER  46  13.259  -3.123   1.864
  378    HA   SER  46           HA       SER  46  15.932  -2.565   2.760
  379    HB2  SER  46          1HB       SER  46  15.371  -3.285   5.120
  380    HB3  SER  46          2HB       SER  46  14.718  -1.722   4.666
  381    HG   SER  46           HG       SER  46  12.783  -2.482   5.135
  382    H    LEU  47           H        LEU  47  16.692  -4.705   4.093
  383    HA   LEU  47           HA       LEU  47  16.045  -6.890   2.311
  384    HB2  LEU  47          1HB       LEU  47  18.030  -6.880   4.576
  385    HB3  LEU  47          2HB       LEU  47  17.969  -7.953   3.192
  386    HG   LEU  47           HG       LEU  47  18.204  -5.367   2.106
  387   HD11  LEU  47          1HD1      LEU  47  20.434  -5.632   4.086
  388   HD12  LEU  47          2HD1      LEU  47  19.825  -4.194   3.232
  389   HD13  LEU  47          3HD1      LEU  47  18.901  -4.880   4.590
  390   HD21  LEU  47          1HD2      LEU  47  19.150  -7.596   1.349
  391   HD22  LEU  47          2HD2      LEU  47  20.212  -6.179   1.167
  392   HD23  LEU  47          3HD2      LEU  47  20.472  -7.320   2.508
  393    H    LEU  48           H        LEU  48  14.248  -5.672   4.588
  394    HA   LEU  48           HA       LEU  48  13.700  -8.277   5.831
  395    HB2  LEU  48          1HB       LEU  48  13.267  -5.569   7.091
  396    HB3  LEU  48          2HB       LEU  48  12.983  -7.134   7.826
  397    HG   LEU  48           HG       LEU  48  14.997  -6.308   8.746
  398   HD11  LEU  48          1HD1      LEU  48  16.177  -8.201   8.572
  399   HD12  LEU  48          2HD1      LEU  48  14.888  -8.725   7.462
  400   HD13  LEU  48          3HD1      LEU  48  16.392  -8.025   6.814
  401   HD21  LEU  48          1HD2      LEU  48  16.717  -6.042   6.447
  402   HD22  LEU  48          2HD2      LEU  48  15.301  -4.977   6.290
  403   HD23  LEU  48          3HD2      LEU  48  16.342  -4.867   7.729
  404    H    VAL  49           H        VAL  49  12.354  -5.098   4.742
  405    HA   VAL  49           HA       VAL  49   9.932  -6.570   3.988
  406    HB   VAL  49           HB       VAL  49   8.534  -4.876   4.833
  407   HG11  VAL  49          1HG1      VAL  49   8.733  -5.247   7.093
  408   HG12  VAL  49          2HG1      VAL  49   9.838  -6.498   6.478
  409   HG13  VAL  49          3HG1      VAL  49  10.490  -4.963   7.101
  410   HG21  VAL  49          1HG2      VAL  49  10.998  -3.250   5.548
  411   HG22  VAL  49          2HG2      VAL  49   9.930  -2.943   4.157
  412   HG23  VAL  49          3HG2      VAL  49   9.300  -2.785   5.815
  413    H    LYS  50           H        LYS  50   8.801  -5.664   2.136
  414    HA   LYS  50           HA       LYS  50  10.587  -3.975   0.528
  415    HB2  LYS  50          1HB       LYS  50  10.129  -6.423  -0.156
  416    HB3  LYS  50          2HB       LYS  50   8.522  -5.873  -0.584
  417    HG2  LYS  50          1HG       LYS  50   9.325  -5.103  -2.556
  418    HG3  LYS  50          2HG       LYS  50  10.318  -3.949  -1.688
  419    HD2  LYS  50          1HD       LYS  50  12.154  -5.061  -2.416
  420    HD3  LYS  50          2HD       LYS  50  11.684  -6.412  -1.404
  421    HE2  LYS  50          1HE       LYS  50  11.736  -7.483  -3.470
  422    HE3  LYS  50          2HE       LYS  50  10.056  -6.983  -3.446
  423    HZ1  LYS  50          1HZ       LYS  50  11.966  -6.274  -5.276
  424    HZ2  LYS  50          2HZ       LYS  50  10.437  -5.706  -5.180
  425    HZ3  LYS  50          3HZ       LYS  50  11.653  -4.907  -4.437
  426    H    TYR  51           H        TYR  51   9.537  -2.407  -0.918
  427    HA   TYR  51           HA       TYR  51   6.838  -1.686  -0.009
  428    HB2  TYR  51          1HB       TYR  51   9.478  -0.175  -0.185
  429    HB3  TYR  51          2HB       TYR  51   8.016   0.726  -0.534
  430    HD1  TYR  51          1HD       TYR  51   7.110   1.923   1.225
  431    HD2  TYR  51          2HD       TYR  51   9.220  -1.699   2.077
  432    HE1  TYR  51          1HE       TYR  51   6.746   2.289   3.714
  433    HE2  TYR  51          2HE       TYR  51   8.849  -1.321   4.565
  434    HH   TYR  51           HH       TYR  51   8.447   0.960   5.997
  435    H    VAL  52           H        VAL  52   5.417  -1.321  -1.650
  436    HA   VAL  52           HA       VAL  52   6.588  -0.842  -4.302
  437    HB   VAL  52           HB       VAL  52   4.472  -2.743  -3.373
  438   HG11  VAL  52          1HG1      VAL  52   4.576  -1.419  -6.099
  439   HG12  VAL  52          2HG1      VAL  52   3.736  -2.956  -5.784
  440   HG13  VAL  52          3HG1      VAL  52   3.214  -1.471  -4.956
  441   HG21  VAL  52          1HG2      VAL  52   7.091  -2.940  -4.433
  442   HG22  VAL  52          2HG2      VAL  52   5.961  -4.260  -4.048
  443   HG23  VAL  52          3HG2      VAL  52   5.985  -3.557  -5.684
  444    H    CYS  53           H        CYS  53   6.317   1.358  -4.487
  445    HA   CYS  53           HA       CYS  53   3.753   2.451  -3.665
  446    HB2  CYS  53          1HB       CYS  53   6.082   4.057  -4.721
  447    HB3  CYS  53          2HB       CYS  53   4.761   4.584  -3.697
  448    H    CYS  54           H        CYS  54   2.360   3.524  -5.188
  449    HA   CYS  54           HA       CYS  54   3.179   3.429  -7.969
  450    HB2  CYS  54          1HB       CYS  54   0.871   2.451  -8.537
  451    HB3  CYS  54          2HB       CYS  54   2.106   1.351  -7.958
  452    H    ASN  55           H        ASN  55   1.850   4.914  -9.297
  453    HA   ASN  55           HA       ASN  55   0.624   6.926  -7.598
  454    HB2  ASN  55          1HB       ASN  55   1.074   8.506  -9.409
  455    HB3  ASN  55          2HB       ASN  55   2.540   7.589  -9.132
  456   HD21  ASN  55          1HD2      ASN  55   3.530   7.020 -10.898
  457   HD22  ASN  55          2HD2      ASN  55   2.818   6.572 -12.413
  458    H    THR  56           H        THR  56  -0.565   4.292  -8.684
  459    HA   THR  56           HA       THR  56  -2.685   5.435 -10.378
  460    HB   THR  56           HB       THR  56  -2.839   2.631 -10.467
  461    HG1  THR  56          1HG       THR  56  -0.780   2.527  -9.359
  462   HG21  THR  56          1HG2      THR  56  -1.819   2.817 -12.690
  463   HG22  THR  56          2HG2      THR  56  -2.845   4.251 -12.440
  464   HG23  THR  56          3HG2      THR  56  -1.079   4.378 -12.263
  465    H    ASP  57           H        ASP  57  -4.858   4.187 -10.071
  466    HA   ASP  57           HA       ASP  57  -5.439   4.515  -7.281
  467    HB2  ASP  57          1HB       ASP  57  -7.016   4.286  -9.839
  468    HB3  ASP  57          2HB       ASP  57  -7.832   3.842  -8.352
  469    H    ARG  58           H        ARG  58  -6.343   2.794  -5.954
  470    HA   ARG  58           HA       ARG  58  -6.278   0.747  -5.200
  471    HB2  ARG  58          1HB       ARG  58  -7.846   0.435  -7.796
  472    HB3  ARG  58          2HB       ARG  58  -7.686  -0.897  -6.671
  473    HG2  ARG  58          1HG       ARG  58  -9.409  -0.048  -5.470
  474    HG3  ARG  58          2HG       ARG  58  -8.413   1.338  -5.070
  475    HD2  ARG  58          1HD       ARG  58 -10.011   2.550  -6.177
  476    HD3  ARG  58          2HD       ARG  58  -9.202   2.001  -7.632
  477    HE   ARG  58           HE       ARG  58 -10.928  -0.083  -7.091
  478   HH11  ARG  58          1HH1      ARG  58 -13.982   1.175  -8.216
  479   HH12  ARG  58          2HH1      ARG  58 -13.079  -0.255  -7.840
  480   HH21  ARG  58          1HH2      ARG  58 -13.006   3.265  -7.958
  481   HH22  ARG  58          2HH2      ARG  58 -11.375   3.395  -7.390
  482    H    CYS  59           H        CYS  59  -3.936   1.498  -6.914
  483    HA   CYS  59           HA       CYS  59  -3.294  -0.719  -8.541
  484    HB2  CYS  59          1HB       CYS  59  -0.964   0.299  -8.453
  485    HB3  CYS  59          2HB       CYS  59  -2.235   1.311  -9.107
  486    H    ASN  60           H        ASN  60  -2.876   0.212  -5.118
  487    HA   ASN  60           HA       ASN  60  -1.128  -2.025  -4.670
  488    HB2  ASN  60          1HB       ASN  60  -0.842  -1.121  -2.446
  489    HB3  ASN  60          2HB       ASN  60  -0.887   0.266  -3.515
  490   HD21  ASN  60          1HD2      ASN  60  -1.749  -0.539  -0.621
  491   HD22  ASN  60          2HD2      ASN  60  -3.288   0.231  -0.418
  492    H1   HOH 101          1H        HOH  61   4.771 -11.247   2.705
  493    H2   HOH 101          2H        HOH  61   3.838 -10.064   2.849
  Start of MODEL   13
    1    H1   LEU   1           H        LEU   1  -5.215  10.359  -4.283
    2    HA   LEU   1           HA       LEU   1  -6.654   8.589  -5.957
    3    HB2  LEU   1          1HB       LEU   1  -3.981   9.168  -5.348
    4    HB3  LEU   1          2HB       LEU   1  -4.208   7.501  -4.862
    5    HG   LEU   1           HG       LEU   1  -5.157   7.047  -7.162
    6   HD11  LEU   1          1HD1      LEU   1  -4.880   9.907  -7.364
    7   HD12  LEU   1          2HD1      LEU   1  -3.913   9.106  -8.625
    8   HD13  LEU   1          3HD1      LEU   1  -5.652   8.758  -8.483
    9   HD21  LEU   1          1HD2      LEU   1  -2.933   6.332  -6.619
   10   HD22  LEU   1          2HD2      LEU   1  -2.918   7.024  -8.260
   11   HD23  LEU   1          3HD2      LEU   1  -2.284   7.968  -6.890
   12    H    LYS   2           H        LYS   2  -6.824   6.183  -5.513
   13    HA   LYS   2           HA       LYS   2  -7.593   5.809  -2.701
   14    HB2  LYS   2          1HB       LYS   2  -8.873   4.885  -5.269
   15    HB3  LYS   2          2HB       LYS   2  -9.141   4.018  -3.772
   16    HG2  LYS   2          1HG       LYS   2 -10.703   5.548  -3.184
   17    HG3  LYS   2          2HG       LYS   2  -9.456   6.779  -3.127
   18    HD2  LYS   2          1HD       LYS   2  -9.745   7.002  -5.686
   19    HD3  LYS   2          2HD       LYS   2 -11.176   6.005  -5.522
   20    HE2  LYS   2          1HE       LYS   2 -12.035   7.681  -3.783
   21    HE3  LYS   2          2HE       LYS   2 -10.680   8.712  -4.201
   22    HZ1  LYS   2          1HZ       LYS   2 -12.867   7.853  -5.950
   23    HZ2  LYS   2          2HZ       LYS   2 -12.458   9.376  -5.526
   24    HZ3  LYS   2          3HZ       LYS   2 -11.501   8.524  -6.541
   25    H    CYS   3           H        CYS   3  -7.024   3.838  -1.678
   26    HA   CYS   3           HA       CYS   3  -5.237   2.136  -3.239
   27    HB2  CYS   3          1HB       CYS   3  -4.561   2.896  -0.396
   28    HB3  CYS   3          2HB       CYS   3  -3.545   2.112  -1.589
   29    H    ASN   4           H        ASN   4  -5.227  -0.099  -2.476
   30    HA   ASN   4           HA       ASN   4  -7.664  -0.715  -1.083
   31    HB2  ASN   4          1HB       ASN   4  -5.640  -2.749  -2.107
   32    HB3  ASN   4          2HB       ASN   4  -7.373  -2.948  -1.927
   33   HD21  ASN   4          1HD2      ASN   4  -5.946  -3.533  -4.252
   34   HD22  ASN   4          2HD2      ASN   4  -6.448  -2.480  -5.531
   35    H    LYS   5           H        LYS   5  -7.571  -2.446   0.701
   36    HA   LYS   5           HA       LYS   5  -5.309  -1.879   2.431
   37    HB2  LYS   5          1HB       LYS   5  -7.893  -3.356   3.016
   38    HB3  LYS   5          2HB       LYS   5  -6.695  -2.846   4.188
   39    HG2  LYS   5          1HG       LYS   5  -8.422  -1.048   2.431
   40    HG3  LYS   5          2HG       LYS   5  -8.500  -1.205   4.175
   41    HD2  LYS   5          1HD       LYS   5  -6.256   0.030   2.525
   42    HD3  LYS   5          2HD       LYS   5  -7.283   0.833   3.698
   43    HE2  LYS   5          1HE       LYS   5  -6.237  -1.101   5.309
   44    HE3  LYS   5          2HE       LYS   5  -4.925  -0.973   4.152
   45    HZ1  LYS   5          1HZ       LYS   5  -6.013   1.122   5.873
   46    HZ2  LYS   5          2HZ       LYS   5  -4.467   0.613   5.742
   47    HZ3  LYS   5          3HZ       LYS   5  -5.138   1.504   4.549
   48    H    LEU   6           H        LEU   6  -5.190  -4.197   3.979
   49    HA   LEU   6           HA       LEU   6  -3.373  -5.723   2.695
   50    HB2  LEU   6          1HB       LEU   6  -4.144  -5.661   5.149
   51    HB3  LEU   6          2HB       LEU   6  -5.298  -6.896   4.686
   52    HG   LEU   6           HG       LEU   6  -3.602  -8.468   4.187
   53   HD11  LEU   6          1HD1      LEU   6  -1.703  -6.122   4.227
   54   HD12  LEU   6          2HD1      LEU   6  -1.144  -7.806   4.350
   55   HD13  LEU   6          3HD1      LEU   6  -2.037  -7.270   2.908
   56   HD21  LEU   6          1HD2      LEU   6  -3.957  -7.507   6.698
   57   HD22  LEU   6          2HD2      LEU   6  -2.950  -8.918   6.292
   58   HD23  LEU   6          3HD2      LEU   6  -2.196  -7.321   6.519
   59    H    VAL   7           H        VAL   7  -6.946  -6.300   2.834
   60    HA   VAL   7           HA       VAL   7  -6.570  -8.280   0.704
   61    HB   VAL   7           HB       VAL   7  -8.542  -7.910   2.919
   62   HG11  VAL   7          1HG1      VAL   7  -9.757  -9.875   1.501
   63   HG12  VAL   7          2HG1      VAL   7 -10.239  -8.163   1.437
   64   HG13  VAL   7          3HG1      VAL   7  -9.182  -8.838   0.174
   65   HG21  VAL   7          1HG2      VAL   7  -7.321  -9.632   3.663
   66   HG22  VAL   7          2HG2      VAL   7  -8.121 -10.616   2.413
   67   HG23  VAL   7          3HG2      VAL   7  -6.543  -9.863   2.079
   68    H    PRO   8           H        PRO   8  -6.602  -7.839  -1.510
   69    HA   PRO   8           HA       PRO   8  -7.917  -5.063  -2.002
   70   1HB   PRO   8          1HB       PRO   8  -8.199  -7.427  -3.823
   71   2HB   PRO   8          2HB       PRO   8  -7.437  -5.908  -4.136
   72   1HG   PRO   8          1HG       PRO   8  -5.891  -8.036  -3.583
   73   2HG   PRO   8          2HG       PRO   8  -5.503  -6.524  -2.825
   74   1HD   PRO   8          1HD       PRO   8  -7.014  -8.836  -1.582
   75   2HD   PRO   8          2HD       PRO   8  -5.701  -7.917  -0.910
   76    H    ILE   9           H        ILE   9 -10.034  -7.196  -0.549
   77    HA   ILE   9           HA       ILE   9 -12.263  -6.689  -2.309
   78    HB   ILE   9           HB       ILE   9 -11.567  -8.593  -0.312
   79   HG12  ILE   9          1HG1      ILE   9 -12.395  -9.203  -2.482
   80   HG13  ILE   9          2HG1      ILE   9 -13.511  -9.799  -1.269
   81   HG21  ILE   9          1HG2      ILE   9 -13.576  -8.716   1.018
   82   HG22  ILE   9          2HG2      ILE   9 -12.817  -7.122   1.243
   83   HG23  ILE   9          3HG2      ILE   9 -14.251  -7.285   0.202
   84   HD11  ILE   9          1HD1      ILE   9 -15.187  -8.691  -2.308
   85   HD12  ILE   9          2HD1      ILE   9 -14.379  -7.153  -1.920
   86   HD13  ILE   9          3HD1      ILE   9 -14.029  -7.979  -3.457
   87    H    ALA  10           H        ALA  10 -10.534  -4.824  -0.180
   88    HA   ALA  10           HA       ALA  10 -12.757  -3.025   0.136
   89    HB1  ALA  10          1HB       ALA  10 -13.092  -3.210   2.374
   90    HB2  ALA  10          2HB       ALA  10 -12.393  -4.834   2.170
   91    HB3  ALA  10          3HB       ALA  10 -11.365  -3.484   2.708
   92    H    TYR  11           H        TYR  11 -12.036  -0.922   0.018
   93    HA   TYR  11           HA       TYR  11  -9.200  -0.449   0.545
   94    HB2  TYR  11          1HB       TYR  11  -8.997   0.611  -1.657
   95    HB3  TYR  11          2HB       TYR  11  -9.768  -0.936  -1.946
   96    HD1  TYR  11          1HD       TYR  11 -12.436  -0.880  -1.881
   97    HD2  TYR  11          2HD       TYR  11  -9.937   2.516  -2.610
   98    HE1  TYR  11          1HE       TYR  11 -14.368   0.303  -3.035
   99    HE2  TYR  11          2HE       TYR  11 -11.876   3.686  -3.762
  100    HH   TYR  11           HH       TYR  11 -13.891   3.193  -4.839
  101    H    LYS  12           H        LYS  12  -8.712   1.961   0.616
  102    HA   LYS  12           HA       LYS  12 -11.096   3.512   1.292
  103    HB2  LYS  12          1HB       LYS  12  -8.656   3.151   3.050
  104    HB3  LYS  12          2HB       LYS  12  -9.841   4.422   3.278
  105    HG2  LYS  12          1HG       LYS  12 -11.251   1.912   2.966
  106    HG3  LYS  12          2HG       LYS  12  -9.984   1.686   4.155
  107    HD2  LYS  12          1HD       LYS  12 -11.217   2.796   5.698
  108    HD3  LYS  12          2HD       LYS  12 -11.182   4.236   4.701
  109    HE2  LYS  12          1HE       LYS  12 -13.239   3.708   3.628
  110    HE3  LYS  12          2HE       LYS  12 -13.132   2.009   4.041
  111    HZ1  LYS  12          1HZ       LYS  12 -14.690   3.044   5.460
  112    HZ2  LYS  12          2HZ       LYS  12 -13.389   2.682   6.378
  113    HZ3  LYS  12          3HZ       LYS  12 -13.649   4.223   5.899
  114    H    THR  13           H        THR  13 -10.121   5.939   1.810
  115    HA   THR  13           HA       THR  13  -8.792   6.610  -0.687
  116    HB   THR  13           HB       THR  13 -10.531   7.948   1.368
  117    HG1  THR  13          1HG       THR  13 -10.054   8.225  -1.513
  118   HG21  THR  13          1HG2      THR  13  -9.923  10.186   0.625
  119   HG22  THR  13          2HG2      THR  13  -8.423   9.414   1.194
  120   HG23  THR  13          3HG2      THR  13  -8.755   9.536  -0.550
  121    H    CYS  14           H        CYS  14  -6.845   7.729  -0.888
  122    HA   CYS  14           HA       CYS  14  -4.942   7.053   1.066
  123    HB2  CYS  14          1HB       CYS  14  -4.672   8.995  -1.252
  124    HB3  CYS  14          2HB       CYS  14  -3.355   8.279  -0.342
  125    H    PRO  15           H        PRO  15  -4.748   7.655   3.293
  126    HA   PRO  15           HA       PRO  15  -6.530  10.214   3.669
  127   1HB   PRO  15          1HB       PRO  15  -4.704   9.908   5.745
  128   2HB   PRO  15          2HB       PRO  15  -6.115   8.937   5.518
  129   1HG   PRO  15          1HG       PRO  15  -3.231   8.360   4.714
  130   2HG   PRO  15          2HG       PRO  15  -4.411   7.288   5.400
  131   1HD   PRO  15          1HD       PRO  15  -3.930   7.208   2.738
  132   2HD   PRO  15          2HD       PRO  15  -5.520   6.902   3.371
  133    H    GLU  16           H        GLU  16  -5.477  11.941   5.449
  134    HA   GLU  16           HA       GLU  16  -4.716  14.043   3.877
  135    HB2  GLU  16          1HB       GLU  16  -4.315  13.584   6.863
  136    HB3  GLU  16          2HB       GLU  16  -4.064  15.132   6.082
  137    HG2  GLU  16          1HG       GLU  16  -6.661  13.898   5.377
  138    HG3  GLU  16          2HG       GLU  16  -6.494  14.192   7.096
  139    H    GLY  17           H        GLY  17  -2.815  14.644   2.919
  140    HA2  GLY  17          1HA       GLY  17  -0.544  14.990   2.797
  141    HA3  GLY  17          2HA       GLY  17  -0.285  13.921   4.160
  142    H    LYS  18           H        LYS  18  -1.905  11.674   3.155
  143    HA   LYS  18           HA       LYS  18   0.069  10.622   1.322
  144    HB2  LYS  18          1HB       LYS  18  -2.274   9.285   2.709
  145    HB3  LYS  18          2HB       LYS  18  -1.040   8.470   1.770
  146    HG2  LYS  18          1HG       LYS  18   0.008   8.248   3.797
  147    HG3  LYS  18          2HG       LYS  18   0.559   9.881   3.482
  148    HD2  LYS  18          1HD       LYS  18  -1.940  10.355   4.588
  149    HD3  LYS  18          2HD       LYS  18  -1.451   8.908   5.450
  150    HE2  LYS  18          1HE       LYS  18   0.678   9.997   6.126
  151    HE3  LYS  18          2HE       LYS  18   0.264  11.426   5.200
  152    HZ1  LYS  18          1HZ       LYS  18  -0.702  12.109   7.049
  153    HZ2  LYS  18          2HZ       LYS  18  -1.890  11.021   6.779
  154    HZ3  LYS  18          3HZ       LYS  18  -0.641  10.640   7.762
  155    H    ASN  19           H        ASN  19  -0.336   9.917  -0.795
  156    HA   ASN  19           HA       ASN  19  -3.013  10.390  -1.782
  157    HB2  ASN  19          1HB       ASN  19  -1.849  12.488  -2.306
  158    HB3  ASN  19          2HB       ASN  19  -0.457  11.622  -2.924
  159   HD21  ASN  19          1HD2      ASN  19  -0.458  12.361  -4.963
  160   HD22  ASN  19          2HD2      ASN  19  -1.698  12.068  -6.136
  161    H    LEU  20           H        LEU  20   0.387   9.277  -2.320
  162    HA   LEU  20           HA       LEU  20  -0.372   7.580  -4.508
  163    HB2  LEU  20          1HB       LEU  20   2.202   7.969  -2.979
  164    HB3  LEU  20          2HB       LEU  20   2.023   6.843  -4.311
  165    HG   LEU  20           HG       LEU  20   1.473   9.806  -4.583
  166   HD11  LEU  20          1HD1      LEU  20   3.876   9.233  -5.894
  167   HD12  LEU  20          2HD1      LEU  20   3.655  10.190  -4.409
  168   HD13  LEU  20          3HD1      LEU  20   4.018   8.449  -4.301
  169   HD21  LEU  20          1HD2      LEU  20   2.108   7.746  -6.710
  170   HD22  LEU  20          2HD2      LEU  20   0.460   8.244  -6.253
  171   HD23  LEU  20          3HD2      LEU  20   1.590   9.435  -6.943
  172    H    CYS  21           H        CYS  21   0.013   5.197  -4.472
  173    HA   CYS  21           HA       CYS  21  -0.884   4.166  -1.892
  174    HB2  CYS  21          1HB       CYS  21  -1.037   2.860  -4.629
  175    HB3  CYS  21          2HB       CYS  21  -1.706   2.223  -3.139
  176    H    TYR  22           H        TYR  22   0.297   2.478  -0.863
  177    HA   TYR  22           HA       TYR  22   2.766   1.646  -2.210
  178    HB2  TYR  22          1HB       TYR  22   3.994   2.233  -0.203
  179    HB3  TYR  22          2HB       TYR  22   2.907   3.588  -0.429
  180    HD1  TYR  22          1HD       TYR  22   3.090   0.289   1.344
  181    HD2  TYR  22          2HD       TYR  22   1.571   4.289   1.352
  182    HE1  TYR  22          1HE       TYR  22   2.156  -0.061   3.684
  183    HE2  TYR  22          2HE       TYR  22   0.643   3.923   3.690
  184    HH   TYR  22           HH       TYR  22   1.567   1.318   5.609
  185    H    LYS  23           H        LYS  23   3.470  -0.468  -1.722
  186    HA   LYS  23           HA       LYS  23   1.650  -1.978   0.021
  187    HB2  LYS  23          1HB       LYS  23   1.859  -2.221  -2.762
  188    HB3  LYS  23          2HB       LYS  23   2.795  -3.562  -2.135
  189    HG2  LYS  23          1HG       LYS  23   0.941  -4.446  -0.908
  190    HG3  LYS  23          2HG       LYS  23   0.048  -2.939  -0.996
  191    HD2  LYS  23          1HD       LYS  23  -0.900  -4.598  -2.565
  192    HD3  LYS  23          2HD       LYS  23  -0.252  -3.228  -3.443
  193    HE2  LYS  23          1HE       LYS  23   1.974  -4.840  -3.355
  194    HE3  LYS  23          2HE       LYS  23   0.714  -6.057  -3.358
  195    HZ1  LYS  23          1HZ       LYS  23   0.756  -3.841  -5.279
  196    HZ2  LYS  23          2HZ       LYS  23   1.480  -5.274  -5.573
  197    HZ3  LYS  23          3HZ       LYS  23  -0.136  -5.208  -5.352
  198    H    MET  24           H        MET  24   2.742  -2.634   1.787
  199    HA   MET  24           HA       MET  24   5.607  -2.960   1.511
  200    HB2  MET  24          1HB       MET  24   3.650  -2.474   3.771
  201    HB3  MET  24          2HB       MET  24   5.152  -3.282   4.173
  202    HG2  MET  24          1HG       MET  24   6.447  -1.403   3.754
  203    HG3  MET  24          2HG       MET  24   5.421  -0.849   2.446
  204    HE1  MET  24          1HE       MET  24   5.472  -1.312   6.444
  205    HE2  MET  24          2HE       MET  24   3.839  -0.679   6.760
  206    HE3  MET  24          3HE       MET  24   4.051  -2.129   5.751
  207    H    PHE  25           H        PHE  25   6.698  -4.914   1.966
  208    HA   PHE  25           HA       PHE  25   4.939  -7.203   2.492
  209    HB2  PHE  25          1HB       PHE  25   7.267  -6.755   0.544
  210    HB3  PHE  25          2HB       PHE  25   6.770  -8.375   0.988
  211    HD1  PHE  25          1HD       PHE  25   4.988  -9.417  -0.122
  212    HD2  PHE  25          2HD       PHE  25   5.520  -5.227  -0.536
  213    HE1  PHE  25          1HE       PHE  25   3.241  -9.372  -1.923
  214    HE2  PHE  25          2HE       PHE  25   3.773  -5.183  -2.335
  215    HZ   PHE  25           HZ       PHE  25   2.654  -7.257  -3.009
  216    H    MET  26           H        MET  26   6.504  -9.225   3.025
  217    HA   MET  26           HA       MET  26   8.686  -8.271   4.678
  218    HB2  MET  26          1HB       MET  26   6.337 -10.029   5.564
  219    HB3  MET  26          2HB       MET  26   7.826  -9.930   6.483
  220    HG2  MET  26          1HG       MET  26   7.519  -7.563   6.913
  221    HG3  MET  26          2HG       MET  26   6.231  -7.442   5.729
  222    HE1  MET  26          1HE       MET  26   5.744  -7.560   9.902
  223    HE2  MET  26          2HE       MET  26   6.829  -8.948   9.648
  224    HE3  MET  26          3HE       MET  26   7.213  -7.371   8.914
  225    H    MET  27           H        MET  27   9.996 -10.257   5.560
  226    HA   MET  27           HA       MET  27  10.843 -11.706   3.383
  227    HB2  MET  27          1HB       MET  27  11.205 -11.844   6.387
  228    HB3  MET  27          2HB       MET  27  11.791 -13.201   5.446
  229    HG2  MET  27          1HG       MET  27  12.533 -10.478   4.423
  230    HG3  MET  27          2HG       MET  27  13.282 -10.964   5.931
  231    HE1  MET  27          1HE       MET  27  15.212 -12.722   6.114
  232    HE2  MET  27          2HE       MET  27  13.783 -13.780   6.049
  233    HE3  MET  27          3HE       MET  27  15.217 -14.162   5.068
  234    H    SER  28           H        SER  28   7.998 -12.115   5.228
  235    HA   SER  28           HA       SER  28   7.853 -14.881   5.363
  236    HB2  SER  28          1HB       SER  28   6.291 -13.728   6.689
  237    HB3  SER  28          2HB       SER  28   5.848 -12.624   5.400
  238    HG   SER  28           HG       SER  28   4.248 -13.942   4.898
  239    H    ASP  29           H        ASP  29   6.806 -12.491   2.859
  240    HA   ASP  29           HA       ASP  29   7.206 -14.319   0.807
  241    HB2  ASP  29          1HB       ASP  29   4.602 -14.118   0.133
  242    HB3  ASP  29          2HB       ASP  29   5.223 -15.468   1.064
  243    H    LEU  30           H        LEU  30   8.138 -12.647  -0.425
  244    HA   LEU  30           HA       LEU  30   7.083 -10.010  -0.386
  245    HB2  LEU  30          1HB       LEU  30   9.146 -11.321  -2.163
  246    HB3  LEU  30          2HB       LEU  30   8.793  -9.605  -2.125
  247    HG   LEU  30           HG       LEU  30   9.743 -11.147   0.301
  248   HD11  LEU  30          1HD1      LEU  30  11.464 -11.374  -1.358
  249   HD12  LEU  30          2HD1      LEU  30  11.375  -9.643  -1.761
  250   HD13  LEU  30          3HD1      LEU  30  11.979 -10.155  -0.167
  251   HD21  LEU  30          1HD2      LEU  30   8.750  -8.494  -0.080
  252   HD22  LEU  30          2HD2      LEU  30   9.343  -9.271   1.409
  253   HD23  LEU  30          3HD2      LEU  30  10.476  -8.403   0.346
  254    H    THR  31           H        THR  31   6.054 -12.888  -1.861
  255    HA   THR  31           HA       THR  31   5.133 -11.673  -4.314
  256    HB   THR  31           HB       THR  31   5.882 -14.014  -4.307
  257    HG1  THR  31          1HG       THR  31   3.849 -14.833  -5.180
  258   HG21  THR  31          1HG2      THR  31   3.934 -14.201  -1.996
  259   HG22  THR  31          2HG2      THR  31   4.108 -15.605  -3.078
  260   HG23  THR  31          3HG2      THR  31   5.521 -14.984  -2.191
  261    H    ILE  32           H        ILE  32   3.982 -12.115  -1.030
  262    HA   ILE  32           HA       ILE  32   1.446 -10.936  -1.899
  263    HB   ILE  32           HB       ILE  32   1.901 -13.442  -0.377
  264   HG12  ILE  32          1HG1      ILE  32  -0.641 -12.902  -1.778
  265   HG13  ILE  32          2HG1      ILE  32   0.782 -12.825  -2.798
  266   HG21  ILE  32          1HG2      ILE  32   0.945 -12.049   1.360
  267   HG22  ILE  32          2HG2      ILE  32  -0.357 -11.525   0.263
  268   HG23  ILE  32          3HG2      ILE  32  -0.264 -13.224   0.785
  269   HD11  ILE  32          1HD1      ILE  32  -0.426 -15.145  -2.389
  270   HD12  ILE  32          2HD1      ILE  32   1.351 -15.071  -2.428
  271   HD13  ILE  32          3HD1      ILE  32   0.497 -15.134  -0.867
  272    H    PRO  33           H        PRO  33   0.916  -8.825  -1.319
  273    HA   PRO  33           HA       PRO  33   2.905  -7.974   1.002
  274   1HB   PRO  33          1HB       PRO  33   0.675  -6.344   0.900
  275   2HB   PRO  33          2HB       PRO  33   1.954  -6.317  -0.262
  276   1HG   PRO  33          1HG       PRO  33  -0.754  -7.707  -0.416
  277   2HG   PRO  33          2HG       PRO  33   0.100  -6.835  -1.650
  278   1HD   PRO  33          1HD       PRO  33   0.171  -9.565  -1.580
  279   2HD   PRO  33          2HD       PRO  33   1.485  -8.623  -2.216
  280    H    VAL  34           H        VAL  34   2.534  -6.957   3.095
  281    HA   VAL  34           HA       VAL  34   0.699  -8.575   4.723
  282    HB   VAL  34           HB       VAL  34   2.645  -7.312   6.336
  283   HG11  VAL  34          1HG1      VAL  34   3.422  -9.880   6.371
  284   HG12  VAL  34          2HG1      VAL  34   1.938  -9.313   7.175
  285   HG13  VAL  34          3HG1      VAL  34   1.844 -10.082   5.573
  286   HG21  VAL  34          1HG2      VAL  34   3.755  -8.416   3.763
  287   HG22  VAL  34          2HG2      VAL  34   4.219  -6.953   4.663
  288   HG23  VAL  34          3HG2      VAL  34   4.682  -8.557   5.277
  289    H    LYS  35           H        LYS  35   1.884  -5.339   3.820
  290    HA   LYS  35           HA       LYS  35  -0.372  -4.236   5.336
  291    HB2  LYS  35          1HB       LYS  35   2.269  -2.798   5.062
  292    HB3  LYS  35          2HB       LYS  35   0.919  -2.411   6.110
  293    HG2  LYS  35          1HG       LYS  35   1.579  -5.070   6.794
  294    HG3  LYS  35          2HG       LYS  35   3.132  -4.296   6.548
  295    HD2  LYS  35          1HD       LYS  35   2.723  -3.811   8.807
  296    HD3  LYS  35          2HD       LYS  35   2.142  -2.353   8.026
  297    HE2  LYS  35          1HE       LYS  35  -0.173  -3.694   7.942
  298    HE3  LYS  35          2HE       LYS  35   0.547  -4.611   9.252
  299    HZ1  LYS  35          1HZ       LYS  35   0.993  -2.430  10.321
  300    HZ2  LYS  35          2HZ       LYS  35   0.072  -1.718   9.176
  301    HZ3  LYS  35          3HZ       LYS  35  -0.590  -2.811  10.192
  302    H    ARG  36           H        ARG  36  -1.505  -2.539   4.313
  303    HA   ARG  36           HA       ARG  36  -0.510  -1.776   1.713
  304    HB2  ARG  36          1HB       ARG  36  -3.186  -3.132   2.252
  305    HB3  ARG  36          2HB       ARG  36  -2.967  -2.101   0.852
  306    HG2  ARG  36          1HG       ARG  36  -0.730  -3.675   0.636
  307    HG3  ARG  36          2HG       ARG  36  -1.817  -4.804   1.420
  308    HD2  ARG  36          1HD       ARG  36  -3.522  -3.845  -0.469
  309    HD3  ARG  36          2HD       ARG  36  -2.012  -3.560  -1.313
  310    HE   ARG  36           HE       ARG  36  -1.942  -6.207  -0.231
  311   HH11  ARG  36          1HH1      ARG  36  -3.172  -7.838  -3.059
  312   HH12  ARG  36          2HH1      ARG  36  -2.327  -8.026  -1.560
  313   HH21  ARG  36          1HH2      ARG  36  -3.915  -5.741  -3.720
  314   HH22  ARG  36          2HH2      ARG  36  -3.622  -4.362  -2.713
  315    H    GLY  37           H        GLY  37  -0.813   0.425   1.400
  316    HA2  GLY  37          1HA       GLY  37  -3.110   1.819   2.336
  317    HA3  GLY  37          2HA       GLY  37  -1.744   2.095   3.398
  318    H    CYS  38           H        CYS  38  -2.145   4.394   2.528
  319    HA   CYS  38           HA       CYS  38  -0.758   4.698  -0.035
  320    HB2  CYS  38          1HB       CYS  38  -2.875   6.443   1.256
  321    HB3  CYS  38          2HB       CYS  38  -1.908   6.956  -0.113
  322    H    ILE  39           H        ILE  39   0.646   6.723  -0.134
  323    HA   ILE  39           HA       ILE  39   1.435   7.795   2.428
  324    HB   ILE  39           HB       ILE  39   2.699   5.672   2.201
  325   HG12  ILE  39          1HG1      ILE  39   4.799   7.753   2.010
  326   HG13  ILE  39          2HG1      ILE  39   3.514   8.090   3.153
  327   HG21  ILE  39          1HG2      ILE  39   4.494   6.817   0.142
  328   HG22  ILE  39          2HG2      ILE  39   4.008   5.133   0.445
  329   HG23  ILE  39          3HG2      ILE  39   2.913   6.230  -0.431
  330   HD11  ILE  39          1HD1      ILE  39   5.454   6.796   4.135
  331   HD12  ILE  39          2HD1      ILE  39   3.883   5.978   4.314
  332   HD13  ILE  39          3HD1      ILE  39   5.028   5.443   3.061
  333    H    ASP  40           H        ASP  40   3.028   9.624   2.124
  334    HA   ASP  40           HA       ASP  40   2.177  11.086  -0.167
  335    HB2  ASP  40          1HB       ASP  40   2.340  12.307   1.900
  336    HB3  ASP  40          2HB       ASP  40   3.945  11.685   2.233
  337    H    VAL  41           H        VAL  41   5.216   9.697   1.229
  338    HA   VAL  41           HA       VAL  41   6.451  10.004  -1.417
  339    HB   VAL  41           HB       VAL  41   7.675  10.487   1.304
  340   HG11  VAL  41          1HG1      VAL  41   9.458  11.148  -0.837
  341   HG12  VAL  41          2HG1      VAL  41   9.680   9.972   0.481
  342   HG13  VAL  41          3HG1      VAL  41   8.921   9.463  -1.045
  343   HG21  VAL  41          1HG2      VAL  41   7.595  12.390  -1.043
  344   HG22  VAL  41          2HG2      VAL  41   6.276  12.306   0.148
  345   HG23  VAL  41          3HG2      VAL  41   7.921  12.741   0.671
  346    H    CYS  42           H        CYS  42   7.687   8.234  -2.133
  347    HA   CYS  42           HA       CYS  42   6.916   5.758  -1.108
  348    HB2  CYS  42          1HB       CYS  42   7.710   6.366  -3.481
  349    HB3  CYS  42          2HB       CYS  42   9.340   6.203  -2.860
  350    H    PRO  43           H        PRO  43   7.192   4.649   0.904
  351    HA   PRO  43           HA       PRO  43   9.993   5.472   2.166
  352   1HB   PRO  43          1HB       PRO  43   8.742   2.781   2.414
  353   2HB   PRO  43          2HB       PRO  43   9.029   3.963   3.641
  354   1HG   PRO  43          1HG       PRO  43   6.520   3.604   2.709
  355   2HG   PRO  43          2HG       PRO  43   7.084   5.221   2.994
  356   1HD   PRO  43          1HD       PRO  43   7.012   3.786   0.322
  357   2HD   PRO  43          2HD       PRO  43   6.398   5.365   0.711
  358    H    LYS  44           H        LYS  44  11.633   3.738   2.950
  359    HA   LYS  44           HA       LYS  44  13.247   3.118   0.687
  360    HB2  LYS  44          1HB       LYS  44  13.537   2.746   3.670
  361    HB3  LYS  44          2HB       LYS  44  14.714   2.097   2.545
  362    HG2  LYS  44          1HG       LYS  44  15.703   4.141   2.554
  363    HG3  LYS  44          2HG       LYS  44  14.334   4.723   1.627
  364    HD2  LYS  44          1HD       LYS  44  13.343   4.718   4.242
  365    HD3  LYS  44          2HD       LYS  44  15.014   5.190   4.469
  366    HE2  LYS  44          1HE       LYS  44  13.825   6.578   2.167
  367    HE3  LYS  44          2HE       LYS  44  12.888   6.853   3.622
  368    HZ1  LYS  44          1HZ       LYS  44  15.745   7.379   3.229
  369    HZ2  LYS  44          2HZ       LYS  44  14.567   8.456   3.571
  370    HZ3  LYS  44          3HZ       LYS  44  15.052   7.387   4.707
  371    H    ASN  45           H        ASN  45  14.428   0.667   1.308
  372    HA   ASN  45           HA       ASN  45  12.283  -1.229   1.521
  373    HB2  ASN  45          1HB       ASN  45  14.129  -1.292  -0.917
  374    HB3  ASN  45          2HB       ASN  45  12.744  -2.322  -0.620
  375   HD21  ASN  45          1HD2      ASN  45  13.731   1.049  -1.063
  376   HD22  ASN  45          2HD2      ASN  45  12.284   1.612  -1.830
  377    H    SER  46           H        SER  46  13.152  -3.419   1.978
  378    HA   SER  46           HA       SER  46  16.023  -3.612   2.133
  379    HB2  SER  46          1HB       SER  46  15.910  -4.432   4.509
  380    HB3  SER  46          2HB       SER  46  15.523  -2.732   4.335
  381    HG   SER  46           HG       SER  46  14.021  -4.625   5.485
  382    H    LEU  47           H        LEU  47  16.450  -6.024   3.219
  383    HA   LEU  47           HA       LEU  47  15.097  -7.785   1.414
  384    HB2  LEU  47          1HB       LEU  47  17.134  -8.384   3.563
  385    HB3  LEU  47          2HB       LEU  47  16.633  -9.458   2.272
  386    HG   LEU  47           HG       LEU  47  17.510  -7.061   1.030
  387   HD11  LEU  47          1HD1      LEU  47  19.393  -8.015   3.201
  388   HD12  LEU  47          2HD1      LEU  47  19.872  -6.982   1.832
  389   HD13  LEU  47          3HD1      LEU  47  18.678  -6.396   3.015
  390   HD21  LEU  47          1HD2      LEU  47  17.984  -8.792  -0.306
  391   HD22  LEU  47          2HD2      LEU  47  19.513  -8.881   0.604
  392   HD23  LEU  47          3HD2      LEU  47  18.145  -9.929   1.054
  393    H    LEU  48           H        LEU  48  14.684  -6.677   4.700
  394    HA   LEU  48           HA       LEU  48  13.237  -9.012   5.535
  395    HB2  LEU  48          1HB       LEU  48  13.450  -6.296   6.839
  396    HB3  LEU  48          2HB       LEU  48  12.866  -7.774   7.579
  397    HG   LEU  48           HG       LEU  48  15.528  -8.192   6.533
  398   HD11  LEU  48          1HD1      LEU  48  16.124  -5.961   6.744
  399   HD12  LEU  48          2HD1      LEU  48  15.092  -5.709   8.172
  400   HD13  LEU  48          3HD1      LEU  48  16.600  -6.646   8.316
  401   HD21  LEU  48          1HD2      LEU  48  13.986  -9.147   8.572
  402   HD22  LEU  48          2HD2      LEU  48  15.737  -9.414   8.399
  403   HD23  LEU  48          3HD2      LEU  48  15.135  -8.108   9.448
  404    H    VAL  49           H        VAL  49  12.478  -5.612   4.559
  405    HA   VAL  49           HA       VAL  49   9.756  -6.558   4.002
  406    HB   VAL  49           HB       VAL  49  10.677  -4.450   5.798
  407   HG11  VAL  49          1HG1      VAL  49  10.172  -2.903   4.057
  408   HG12  VAL  49          2HG1      VAL  49   8.677  -3.768   3.626
  409   HG13  VAL  49          3HG1      VAL  49   8.783  -2.889   5.171
  410   HG21  VAL  49          1HG2      VAL  49   8.761  -6.486   5.749
  411   HG22  VAL  49          2HG2      VAL  49   8.999  -5.270   7.027
  412   HG23  VAL  49          3HG2      VAL  49   7.815  -4.978   5.730
  413    H    LYS  50           H        LYS  50   8.713  -5.508   2.189
  414    HA   LYS  50           HA       LYS  50  10.608  -4.043   0.488
  415    HB2  LYS  50          1HB       LYS  50  10.199  -6.497  -0.137
  416    HB3  LYS  50          2HB       LYS  50   8.571  -6.014  -0.560
  417    HG2  LYS  50          1HG       LYS  50   9.458  -5.530  -2.609
  418    HG3  LYS  50          2HG       LYS  50  10.026  -4.057  -1.847
  419    HD2  LYS  50          1HD       LYS  50  11.948  -6.032  -1.154
  420    HD3  LYS  50          2HD       LYS  50  11.574  -6.335  -2.838
  421    HE2  LYS  50          1HE       LYS  50  11.883  -3.453  -2.250
  422    HE3  LYS  50          2HE       LYS  50  13.327  -4.374  -1.874
  423    HZ1  LYS  50          1HZ       LYS  50  11.937  -4.748  -4.419
  424    HZ2  LYS  50          2HZ       LYS  50  13.027  -3.547  -4.223
  425    HZ3  LYS  50          3HZ       LYS  50  13.487  -5.105  -4.045
  426    H    TYR  51           H        TYR  51   9.817  -2.214  -0.528
  427    HA   TYR  51           HA       TYR  51   7.003  -1.594   0.075
  428    HB2  TYR  51          1HB       TYR  51   9.652  -0.067   0.025
  429    HB3  TYR  51          2HB       TYR  51   8.170   0.825  -0.256
  430    HD1  TYR  51          1HD       TYR  51   6.751   1.459   1.545
  431    HD2  TYR  51          2HD       TYR  51   9.944  -1.307   2.224
  432    HE1  TYR  51          1HE       TYR  51   6.402   1.660   4.056
  433    HE2  TYR  51          2HE       TYR  51   9.584  -1.098   4.731
  434    HH   TYR  51           HH       TYR  51   7.556  -0.495   6.213
  435    H    VAL  52           H        VAL  52   5.681  -1.192  -1.636
  436    HA   VAL  52           HA       VAL  52   6.985  -0.517  -4.178
  437    HB   VAL  52           HB       VAL  52   4.532  -2.235  -4.061
  438   HG11  VAL  52          1HG1      VAL  52   6.529  -2.845  -6.084
  439   HG12  VAL  52          2HG1      VAL  52   4.824  -2.367  -6.272
  440   HG13  VAL  52          3HG1      VAL  52   6.086  -1.121  -6.110
  441   HG21  VAL  52          1HG2      VAL  52   7.288  -3.035  -3.284
  442   HG22  VAL  52          2HG2      VAL  52   5.714  -3.736  -2.835
  443   HG23  VAL  52          3HG2      VAL  52   6.439  -4.116  -4.415
  444    H    CYS  53           H        CYS  53   6.417   1.548  -4.618
  445    HA   CYS  53           HA       CYS  53   3.781   2.417  -3.727
  446    HB2  CYS  53          1HB       CYS  53   6.016   4.173  -4.772
  447    HB3  CYS  53          2HB       CYS  53   4.582   4.667  -3.895
  448    H    CYS  54           H        CYS  54   2.315   3.413  -5.263
  449    HA   CYS  54           HA       CYS  54   3.120   3.291  -8.048
  450    HB2  CYS  54          1HB       CYS  54   0.902   2.156  -8.598
  451    HB3  CYS  54          2HB       CYS  54   2.165   1.144  -7.927
  452    H    ASN  55           H        ASN  55   2.104   4.942  -9.261
  453    HA   ASN  55           HA       ASN  55   0.599   6.795  -7.646
  454    HB2  ASN  55          1HB       ASN  55   1.002   8.383  -9.511
  455    HB3  ASN  55          2HB       ASN  55   2.509   7.630  -9.030
  456   HD21  ASN  55          1HD2      ASN  55   0.410   8.318 -11.550
  457   HD22  ASN  55          2HD2      ASN  55   1.082   7.318 -12.795
  458    H    THR  56           H        THR  56  -0.578   4.202  -8.599
  459    HA   THR  56           HA       THR  56  -2.576   5.224 -10.507
  460    HB   THR  56           HB       THR  56  -2.814   2.482 -10.547
  461    HG1  THR  56          1HG       THR  56   0.002   3.213 -10.195
  462   HG21  THR  56          1HG2      THR  56  -0.530   3.851 -12.037
  463   HG22  THR  56          2HG2      THR  56  -1.537   2.489 -12.585
  464   HG23  THR  56          3HG2      THR  56  -2.231   4.125 -12.489
  465    H    ASP  57           H        ASP  57  -4.775   4.036 -10.239
  466    HA   ASP  57           HA       ASP  57  -5.492   4.517  -7.499
  467    HB2  ASP  57          1HB       ASP  57  -6.923   4.250 -10.128
  468    HB3  ASP  57          2HB       ASP  57  -7.838   3.824  -8.697
  469    H    ARG  58           H        ARG  58  -6.187   2.859  -6.069
  470    HA   ARG  58           HA       ARG  58  -6.261   0.851  -5.251
  471    HB2  ARG  58          1HB       ARG  58  -7.816   0.390  -7.842
  472    HB3  ARG  58          2HB       ARG  58  -7.752  -0.803  -6.560
  473    HG2  ARG  58          1HG       ARG  58  -8.471   1.307  -5.045
  474    HG3  ARG  58          2HG       ARG  58  -9.087   1.900  -6.575
  475    HD2  ARG  58          1HD       ARG  58  -9.771  -0.945  -6.034
  476    HD3  ARG  58          2HD       ARG  58 -10.452   0.179  -4.874
  477    HE   ARG  58           HE       ARG  58 -11.828   1.079  -6.558
  478   HH11  ARG  58          1HH1      ARG  58 -12.055   0.220  -9.933
  479   HH12  ARG  58          2HH1      ARG  58 -12.787   1.098  -8.632
  480   HH21  ARG  58          1HH2      ARG  58 -10.098  -0.974  -9.571
  481   HH22  ARG  58          2HH2      ARG  58  -9.371  -0.988  -8.000
  482    H    CYS  59           H        CYS  59  -3.953   1.493  -7.121
  483    HA   CYS  59           HA       CYS  59  -3.357  -0.763  -8.659
  484    HB2  CYS  59          1HB       CYS  59  -0.976   0.143  -8.506
  485    HB3  CYS  59          2HB       CYS  59  -2.185   1.207  -9.196
  486    H    ASN  60           H        ASN  60  -2.805   0.180  -5.234
  487    HA   ASN  60           HA       ASN  60  -1.232  -2.169  -4.778
  488    HB2  ASN  60          1HB       ASN  60  -0.908  -1.285  -2.551
  489    HB3  ASN  60          2HB       ASN  60  -0.882   0.108  -3.617
  490   HD21  ASN  60          1HD2      ASN  60  -1.803  -0.692  -0.729
  491   HD22  ASN  60          2HD2      ASN  60  -3.297   0.159  -0.525
  492    H1   HOH 101          1H        HOH  61   4.818 -11.038   2.581
  493    H2   HOH 101          2H        HOH  61   3.788  -9.940   2.736
  Start of MODEL   14
    1    H1   LEU   1           H        LEU   1  -5.272  10.405  -4.693
    2    HA   LEU   1           HA       LEU   1  -6.623   8.421  -6.124
    3    HB2  LEU   1          1HB       LEU   1  -4.022   9.179  -5.712
    4    HB3  LEU   1          2HB       LEU   1  -4.090   7.655  -4.849
    5    HG   LEU   1           HG       LEU   1  -5.216   6.790  -7.078
    6   HD11  LEU   1          1HD1      LEU   1  -4.895   7.947  -9.002
    7   HD12  LEU   1          2HD1      LEU   1  -4.992   9.329  -7.884
    8   HD13  LEU   1          3HD1      LEU   1  -3.404   8.730  -8.421
    9   HD21  LEU   1          1HD2      LEU   1  -3.233   5.791  -6.279
   10   HD22  LEU   1          2HD2      LEU   1  -2.885   6.287  -7.951
   11   HD23  LEU   1          3HD2      LEU   1  -2.272   7.255  -6.589
   12    H    LYS   2           H        LYS   2  -6.923   6.128  -5.549
   13    HA   LYS   2           HA       LYS   2  -7.537   5.874  -2.688
   14    HB2  LYS   2          1HB       LYS   2  -8.939   4.741  -5.120
   15    HB3  LYS   2          2HB       LYS   2  -9.237   4.170  -3.490
   16    HG2  LYS   2          1HG       LYS   2 -10.222   6.191  -2.804
   17    HG3  LYS   2          2HG       LYS   2  -9.352   7.145  -3.989
   18    HD2  LYS   2          1HD       LYS   2 -10.839   6.619  -5.722
   19    HD3  LYS   2          2HD       LYS   2 -11.285   5.076  -5.023
   20    HE2  LYS   2          1HE       LYS   2 -12.035   7.688  -3.653
   21    HE3  LYS   2          2HE       LYS   2 -13.030   7.024  -4.935
   22    HZ1  LYS   2          1HZ       LYS   2 -13.655   6.320  -2.678
   23    HZ2  LYS   2          2HZ       LYS   2 -13.350   5.065  -3.679
   24    HZ3  LYS   2          3HZ       LYS   2 -12.250   5.497  -2.551
   25    H    CYS   3           H        CYS   3  -7.026   3.877  -1.641
   26    HA   CYS   3           HA       CYS   3  -5.293   2.127  -3.214
   27    HB2  CYS   3          1HB       CYS   3  -4.588   2.843  -0.367
   28    HB3  CYS   3          2HB       CYS   3  -3.590   2.080  -1.589
   29    H    ASN   4           H        ASN   4  -5.314  -0.107  -2.438
   30    HA   ASN   4           HA       ASN   4  -7.769  -0.679  -1.057
   31    HB2  ASN   4          1HB       ASN   4  -5.783  -2.765  -2.039
   32    HB3  ASN   4          2HB       ASN   4  -7.523  -2.908  -1.906
   33   HD21  ASN   4          1HD2      ASN   4  -5.980  -3.514  -4.185
   34   HD22  ASN   4          2HD2      ASN   4  -6.440  -2.464  -5.483
   35    H    LYS   5           H        LYS   5  -7.776  -2.217   0.826
   36    HA   LYS   5           HA       LYS   5  -5.455  -1.773   2.501
   37    HB2  LYS   5          1HB       LYS   5  -8.161  -2.998   3.121
   38    HB3  LYS   5          2HB       LYS   5  -6.907  -2.647   4.293
   39    HG2  LYS   5          1HG       LYS   5  -8.526  -0.681   2.633
   40    HG3  LYS   5          2HG       LYS   5  -8.396  -0.772   4.378
   41    HD2  LYS   5          1HD       LYS   5  -6.182   0.061   2.446
   42    HD3  LYS   5          2HD       LYS   5  -7.059   1.118   3.533
   43    HE2  LYS   5          1HE       LYS   5  -5.226  -1.181   4.368
   44    HE3  LYS   5          2HE       LYS   5  -4.847   0.526   4.482
   45    HZ1  LYS   5          1HZ       LYS   5  -6.879  -0.955   5.980
   46    HZ2  LYS   5          2HZ       LYS   5  -5.615  -0.100   6.564
   47    HZ3  LYS   5          3HZ       LYS   5  -6.891   0.677   5.906
   48    H    LEU   6           H        LEU   6  -5.324  -3.969   4.119
   49    HA   LEU   6           HA       LEU   6  -3.739  -5.702   2.744
   50    HB2  LEU   6          1HB       LEU   6  -3.973  -5.402   5.219
   51    HB3  LEU   6          2HB       LEU   6  -5.419  -6.389   5.155
   52    HG   LEU   6           HG       LEU   6  -4.146  -8.314   4.403
   53   HD11  LEU   6          1HD1      LEU   6  -2.441  -7.630   3.029
   54   HD12  LEU   6          2HD1      LEU   6  -1.936  -6.314   4.118
   55   HD13  LEU   6          3HD1      LEU   6  -1.538  -8.002   4.517
   56   HD21  LEU   6          1HD2      LEU   6  -3.085  -8.846   6.417
   57   HD22  LEU   6          2HD2      LEU   6  -2.585  -7.163   6.709
   58   HD23  LEU   6          3HD2      LEU   6  -4.297  -7.623   6.871
   59    H    VAL   7           H        VAL   7  -7.274  -6.044   3.466
   60    HA   VAL   7           HA       VAL   7  -7.333  -8.329   1.654
   61    HB   VAL   7           HB       VAL   7  -8.961  -7.311   3.910
   62   HG11  VAL   7          1HG1      VAL   7 -10.789  -9.013   2.911
   63   HG12  VAL   7          2HG1      VAL   7 -10.839  -7.257   2.623
   64   HG13  VAL   7          3HG1      VAL   7 -10.160  -8.344   1.387
   65   HG21  VAL   7          1HG2      VAL   7  -7.349  -9.495   3.466
   66   HG22  VAL   7          2HG2      VAL   7  -8.563  -9.356   4.760
   67   HG23  VAL   7          3HG2      VAL   7  -8.977 -10.175   3.236
   68    H    PRO   8           H        PRO   8  -7.190  -8.101  -0.614
   69    HA   PRO   8           HA       PRO   8  -7.983  -5.188  -1.347
   70   1HB   PRO   8          1HB       PRO   8  -8.484  -7.573  -3.095
   71   2HB   PRO   8          2HB       PRO   8  -7.452  -6.218  -3.386
   72   1HG   PRO   8          1HG       PRO   8  -6.342  -8.533  -2.601
   73   2HG   PRO   8          2HG       PRO   8  -5.783  -7.066  -1.859
   74   1HD   PRO   8          1HD       PRO   8  -7.776  -9.033  -0.700
   75   2HD   PRO   8          2HD       PRO   8  -6.391  -8.318   0.070
   76    H    ILE   9           H        ILE   9 -10.571  -7.146  -0.248
   77    HA   ILE   9           HA       ILE   9 -12.467  -6.065  -2.152
   78    HB   ILE   9           HB       ILE   9 -12.769  -8.337  -1.584
   79   HG12  ILE   9          1HG1      ILE   9 -15.038  -8.372  -0.874
   80   HG13  ILE   9          2HG1      ILE   9 -14.862  -6.894   0.053
   81   HG21  ILE   9          1HG2      ILE   9 -12.136  -7.422   1.150
   82   HG22  ILE   9          2HG2      ILE   9 -13.418  -8.653   1.038
   83   HG23  ILE   9          3HG2      ILE   9 -11.810  -8.978   0.346
   84   HD11  ILE   9          1HD1      ILE   9 -14.428  -5.621  -2.057
   85   HD12  ILE   9          2HD1      ILE   9 -14.653  -7.123  -2.984
   86   HD13  ILE   9          3HD1      ILE   9 -16.015  -6.428  -2.075
   87    H    ALA  10           H        ALA  10 -10.772  -4.551   0.058
   88    HA   ALA  10           HA       ALA  10 -12.946  -2.776   0.718
   89    HB1  ALA  10          1HB       ALA  10 -12.688  -4.671   2.530
   90    HB2  ALA  10          2HB       ALA  10 -11.257  -3.735   3.023
   91    HB3  ALA  10          3HB       ALA  10 -12.866  -2.975   3.040
   92    H    TYR  11           H        TYR  11 -12.145  -0.855   0.042
   93    HA   TYR  11           HA       TYR  11  -9.345  -0.279   0.725
   94    HB2  TYR  11          1HB       TYR  11  -9.114   0.649  -1.533
   95    HB3  TYR  11          2HB       TYR  11  -9.873  -0.916  -1.743
   96    HD1  TYR  11          1HD       TYR  11 -12.491  -0.937  -1.860
   97    HD2  TYR  11          2HD       TYR  11 -10.097   2.555  -2.474
   98    HE1  TYR  11          1HE       TYR  11 -14.409   0.166  -3.111
   99    HE2  TYR  11          2HE       TYR  11 -12.023   3.646  -3.724
  100    HH   TYR  11           HH       TYR  11 -14.076   2.642  -5.097
  101    H    LYS  12           H        LYS  12  -8.871   2.118   0.707
  102    HA   LYS  12           HA       LYS  12 -11.276   3.703   1.215
  103    HB2  LYS  12          1HB       LYS  12  -8.894   3.472   3.076
  104    HB3  LYS  12          2HB       LYS  12 -10.135   4.703   3.206
  105    HG2  LYS  12          1HG       LYS  12 -11.041   1.834   3.035
  106    HG3  LYS  12          2HG       LYS  12 -10.295   2.355   4.532
  107    HD2  LYS  12          1HD       LYS  12 -12.027   4.458   4.040
  108    HD3  LYS  12          2HD       LYS  12 -12.925   3.116   3.359
  109    HE2  LYS  12          1HE       LYS  12 -13.531   3.346   5.719
  110    HE3  LYS  12          2HE       LYS  12 -12.641   1.850   5.512
  111    HZ1  LYS  12          1HZ       LYS  12 -10.881   3.977   6.026
  112    HZ2  LYS  12          2HZ       LYS  12 -12.018   3.903   7.195
  113    HZ3  LYS  12          3HZ       LYS  12 -11.095   2.596   6.869
  114    H    THR  13           H        THR  13 -10.101   6.129   1.808
  115    HA   THR  13           HA       THR  13  -8.772   6.696  -0.731
  116    HB   THR  13           HB       THR  13 -10.538   8.133   1.227
  117    HG1  THR  13          1HG       THR  13 -11.563   8.018  -0.728
  118   HG21  THR  13          1HG2      THR  13  -9.747  10.256  -0.226
  119   HG22  THR  13          2HG2      THR  13  -8.957   9.871   1.322
  120   HG23  THR  13          3HG2      THR  13  -8.193   9.390  -0.213
  121    H    CYS  14           H        CYS  14  -6.794   7.763  -0.920
  122    HA   CYS  14           HA       CYS  14  -4.951   7.104   1.092
  123    HB2  CYS  14          1HB       CYS  14  -4.606   8.974  -1.276
  124    HB3  CYS  14          2HB       CYS  14  -3.315   8.294  -0.308
  125    H    PRO  15           H        PRO  15  -4.770   7.754   3.303
  126    HA   PRO  15           HA       PRO  15  -6.493  10.374   3.587
  127   1HB   PRO  15          1HB       PRO  15  -4.738  10.049   5.716
  128   2HB   PRO  15          2HB       PRO  15  -6.168   9.111   5.466
  129   1HG   PRO  15          1HG       PRO  15  -3.281   8.441   4.757
  130   2HG   PRO  15          2HG       PRO  15  -4.509   7.414   5.428
  131   1HD   PRO  15          1HD       PRO  15  -3.952   7.278   2.779
  132   2HD   PRO  15          2HD       PRO  15  -5.565   7.015   3.376
  133    H    GLU  16           H        GLU  16  -5.447  12.113   5.342
  134    HA   GLU  16           HA       GLU  16  -4.524  14.127   3.723
  135    HB2  GLU  16          1HB       GLU  16  -4.338  13.792   6.748
  136    HB3  GLU  16          2HB       GLU  16  -3.990  15.294   5.917
  137    HG2  GLU  16          1HG       GLU  16  -6.596  14.006   5.207
  138    HG3  GLU  16          2HG       GLU  16  -6.475  14.610   6.848
  139    H    GLY  17           H        GLY  17  -2.534  14.650   2.904
  140    HA2  GLY  17          1HA       GLY  17  -0.242  14.925   2.984
  141    HA3  GLY  17          2HA       GLY  17  -0.133  13.812   4.333
  142    H    LYS  18           H        LYS  18  -1.787  11.677   3.140
  143    HA   LYS  18           HA       LYS  18   0.242  10.653   1.315
  144    HB2  LYS  18          1HB       LYS  18  -2.030   9.139   2.624
  145    HB3  LYS  18          2HB       LYS  18  -0.603   8.477   1.853
  146    HG2  LYS  18          1HG       LYS  18   0.854   9.389   3.587
  147    HG3  LYS  18          2HG       LYS  18  -0.459  10.320   4.280
  148    HD2  LYS  18          1HD       LYS  18  -1.481   7.712   4.283
  149    HD3  LYS  18          2HD       LYS  18   0.215   7.463   4.647
  150    HE2  LYS  18          1HE       LYS  18   0.064   9.148   6.497
  151    HE3  LYS  18          2HE       LYS  18  -1.631   9.398   6.131
  152    HZ1  LYS  18          1HZ       LYS  18  -0.825   6.666   6.561
  153    HZ2  LYS  18          2HZ       LYS  18  -0.791   7.633   7.875
  154    HZ3  LYS  18          3HZ       LYS  18  -2.180   7.440   7.039
  155    H    ASN  19           H        ASN  19  -0.212   9.963  -0.794
  156    HA   ASN  19           HA       ASN  19  -2.942  10.373  -1.674
  157    HB2  ASN  19          1HB       ASN  19  -1.915  12.469  -2.316
  158    HB3  ASN  19          2HB       ASN  19  -0.438  11.679  -2.830
  159   HD21  ASN  19          1HD2      ASN  19  -0.262  12.032  -4.917
  160   HD22  ASN  19          2HD2      ASN  19  -1.460  11.723  -6.128
  161    H    LEU  20           H        LEU  20   0.438   9.254  -2.293
  162    HA   LEU  20           HA       LEU  20  -0.357   7.564  -4.468
  163    HB2  LEU  20          1HB       LEU  20   2.225   7.965  -2.963
  164    HB3  LEU  20          2HB       LEU  20   2.041   6.783  -4.244
  165    HG   LEU  20           HG       LEU  20   1.099   9.343  -5.174
  166   HD11  LEU  20          1HD1      LEU  20   4.010   9.550  -4.559
  167   HD12  LEU  20          2HD1      LEU  20   2.786  10.823  -4.785
  168   HD13  LEU  20          3HD1      LEU  20   2.851   9.910  -3.258
  169   HD21  LEU  20          1HD2      LEU  20   3.384   8.779  -6.580
  170   HD22  LEU  20          2HD2      LEU  20   2.895   7.169  -5.993
  171   HD23  LEU  20          3HD2      LEU  20   1.759   8.152  -6.948
  172    H    CYS  21           H        CYS  21  -0.045   5.183  -4.444
  173    HA   CYS  21           HA       CYS  21  -0.902   4.155  -1.851
  174    HB2  CYS  21          1HB       CYS  21  -1.148   2.852  -4.582
  175    HB3  CYS  21          2HB       CYS  21  -1.818   2.253  -3.077
  176    H    TYR  22           H        TYR  22   0.301   2.501  -0.827
  177    HA   TYR  22           HA       TYR  22   2.682   1.561  -2.259
  178    HB2  TYR  22          1HB       TYR  22   4.026   2.213  -0.368
  179    HB3  TYR  22          2HB       TYR  22   2.908   3.554  -0.510
  180    HD1  TYR  22          1HD       TYR  22   1.605   4.197   1.332
  181    HD2  TYR  22          2HD       TYR  22   3.364   0.298   1.276
  182    HE1  TYR  22          1HE       TYR  22   0.862   3.820   3.733
  183    HE2  TYR  22          2HE       TYR  22   2.615  -0.067   3.678
  184    HH   TYR  22           HH       TYR  22   0.881   2.494   5.433
  185    H    LYS  23           H        LYS  23   3.548  -0.481  -1.442
  186    HA   LYS  23           HA       LYS  23   1.733  -1.905   0.350
  187    HB2  LYS  23          1HB       LYS  23   1.702  -2.261  -2.429
  188    HB3  LYS  23          2HB       LYS  23   2.646  -3.609  -1.826
  189    HG2  LYS  23          1HG       LYS  23   0.756  -3.916  -0.057
  190    HG3  LYS  23          2HG       LYS  23  -0.192  -2.826  -1.051
  191    HD2  LYS  23          1HD       LYS  23   1.144  -5.318  -2.193
  192    HD3  LYS  23          2HD       LYS  23  -0.470  -5.355  -1.510
  193    HE2  LYS  23          1HE       LYS  23  -1.205  -3.601  -3.134
  194    HE3  LYS  23          2HE       LYS  23   0.411  -3.542  -3.811
  195    HZ1  LYS  23          1HZ       LYS  23  -1.551  -5.183  -4.616
  196    HZ2  LYS  23          2HZ       LYS  23   0.035  -5.390  -4.947
  197    HZ3  LYS  23          3HZ       LYS  23  -0.649  -6.180  -3.690
  198    H    MET  24           H        MET  24   2.846  -2.885   1.955
  199    HA   MET  24           HA       MET  24   5.715  -3.103   1.545
  200    HB2  MET  24          1HB       MET  24   3.867  -2.760   3.922
  201    HB3  MET  24          2HB       MET  24   5.396  -3.567   4.205
  202    HG2  MET  24          1HG       MET  24   6.658  -1.653   3.759
  203    HG3  MET  24          2HG       MET  24   5.494  -1.016   2.615
  204    HE1  MET  24          1HE       MET  24   5.152  -0.843   7.205
  205    HE2  MET  24          2HE       MET  24   4.912  -2.371   6.326
  206    HE3  MET  24          3HE       MET  24   6.491  -1.552   6.271
  207    H    PHE  25           H        PHE  25   6.859  -5.063   2.017
  208    HA   PHE  25           HA       PHE  25   5.118  -7.396   2.384
  209    HB2  PHE  25          1HB       PHE  25   7.471  -6.830   0.497
  210    HB3  PHE  25          2HB       PHE  25   6.980  -8.474   0.851
  211    HD1  PHE  25          1HD       PHE  25   5.572  -5.248  -0.383
  212    HD2  PHE  25          2HD       PHE  25   5.380  -9.486  -0.485
  213    HE1  PHE  25          1HE       PHE  25   3.850  -5.127  -2.206
  214    HE2  PHE  25          2HE       PHE  25   3.658  -9.366  -2.308
  215    HZ   PHE  25           HZ       PHE  25   2.914  -7.186  -3.146
  216    H    MET  26           H        MET  26   6.628  -9.421   2.909
  217    HA   MET  26           HA       MET  26   8.700  -8.483   4.736
  218    HB2  MET  26          1HB       MET  26   6.543 -10.619   5.167
  219    HB3  MET  26          2HB       MET  26   7.931 -10.458   6.222
  220    HG2  MET  26          1HG       MET  26   7.249  -8.020   6.608
  221    HG3  MET  26          2HG       MET  26   5.778  -8.352   5.716
  222    HE1  MET  26          1HE       MET  26   5.659  -8.400   9.921
  223    HE2  MET  26          2HE       MET  26   7.065  -7.846   8.984
  224    HE3  MET  26          3HE       MET  26   5.435  -7.267   8.567
  225    H    MET  27           H        MET  27  10.406 -10.112   5.218
  226    HA   MET  27           HA       MET  27  11.351 -11.283   2.935
  227    HB2  MET  27          1HB       MET  27  11.904 -11.533   5.904
  228    HB3  MET  27          2HB       MET  27  12.679 -12.690   4.839
  229    HG2  MET  27          1HG       MET  27  12.821  -9.751   4.130
  230    HG3  MET  27          2HG       MET  27  13.855 -10.357   5.408
  231    HE1  MET  27          1HE       MET  27  13.632  -9.334   2.237
  232    HE2  MET  27          2HE       MET  27  14.857 -10.171   1.253
  233    HE3  MET  27          3HE       MET  27  13.192 -10.797   1.322
  234    H    SER  28           H        SER  28   8.799 -12.348   4.990
  235    HA   SER  28           HA       SER  28   9.172 -15.093   4.843
  236    HB2  SER  28          1HB       SER  28   7.594 -14.407   6.438
  237    HB3  SER  28          2HB       SER  28   6.832 -13.263   5.352
  238    HG   SER  28           HG       SER  28   6.127 -15.840   5.862
  239    H    ASP  29           H        ASP  29   7.401 -12.740   2.741
  240    HA   ASP  29           HA       ASP  29   7.816 -14.406   0.507
  241    HB2  ASP  29          1HB       ASP  29   5.235 -14.439   0.009
  242    HB3  ASP  29          2HB       ASP  29   5.917 -15.668   1.057
  243    H    LEU  30           H        LEU  30   8.683 -12.495  -0.468
  244    HA   LEU  30           HA       LEU  30   7.348  -9.999  -0.279
  245    HB2  LEU  30          1HB       LEU  30   9.584 -10.965  -2.067
  246    HB3  LEU  30          2HB       LEU  30   9.039  -9.302  -1.959
  247    HG   LEU  30           HG       LEU  30  10.101 -10.857   0.412
  248   HD11  LEU  30          1HD1      LEU  30  12.211  -9.581   0.075
  249   HD12  LEU  30          2HD1      LEU  30  11.874 -10.769  -1.208
  250   HD13  LEU  30          3HD1      LEU  30  11.586  -9.037  -1.502
  251   HD21  LEU  30          1HD2      LEU  30   9.305  -9.131   1.564
  252   HD22  LEU  30          2HD2      LEU  30  10.533  -8.121   0.761
  253   HD23  LEU  30          3HD2      LEU  30   8.893  -8.240   0.078
  254    H    THR  31           H        THR  31   6.794 -12.861  -2.094
  255    HA   THR  31           HA       THR  31   5.831 -11.647  -4.481
  256    HB   THR  31           HB       THR  31   6.277 -14.291  -3.342
  257    HG1  THR  31          1HG       THR  31   6.616 -14.565  -5.584
  258   HG21  THR  31          1HG2      THR  31   3.688 -13.908  -4.936
  259   HG22  THR  31          2HG2      THR  31   4.410 -15.465  -4.460
  260   HG23  THR  31          3HG2      THR  31   3.748 -14.373  -3.219
  261    H    ILE  32           H        ILE  32   4.513 -12.159  -1.261
  262    HA   ILE  32           HA       ILE  32   2.005 -11.015  -2.256
  263    HB   ILE  32           HB       ILE  32   2.438 -13.531  -0.752
  264   HG12  ILE  32          1HG1      ILE  32   1.673 -13.509  -3.090
  265   HG13  ILE  32          2HG1      ILE  32   0.504 -14.251  -2.015
  266   HG21  ILE  32          1HG2      ILE  32   0.293 -11.528  -0.049
  267   HG22  ILE  32          2HG2      ILE  32   0.080 -13.277   0.203
  268   HG23  ILE  32          3HG2      ILE  32   1.398 -12.411   1.029
  269   HD11  ILE  32          1HD1      ILE  32  -0.566 -11.851  -1.883
  270   HD12  ILE  32          2HD1      ILE  32   0.378 -11.542  -3.361
  271   HD13  ILE  32          3HD1      ILE  32  -0.841 -12.839  -3.339
  272    H    PRO  33           H        PRO  33   1.279  -8.971  -1.631
  273    HA   PRO  33           HA       PRO  33   3.274  -7.949   0.566
  274   1HB   PRO  33          1HB       PRO  33   0.854  -6.576   0.638
  275   2HB   PRO  33          2HB       PRO  33   2.073  -6.375  -0.570
  276   1HG   PRO  33          1HG       PRO  33  -0.461  -8.063  -0.655
  277   2HG   PRO  33          2HG       PRO  33   0.253  -7.095  -1.908
  278   1HD   PRO  33          1HD       PRO  33   0.621  -9.790  -1.902
  279   2HD   PRO  33          2HD       PRO  33   1.835  -8.707  -2.514
  280    H    VAL  34           H        VAL  34   2.439  -6.630   2.582
  281    HA   VAL  34           HA       VAL  34   1.147  -8.528   4.411
  282    HB   VAL  34           HB       VAL  34   3.834  -7.730   4.421
  283   HG11  VAL  34          1HG1      VAL  34   2.269  -6.357   6.632
  284   HG12  VAL  34          2HG1      VAL  34   4.035  -6.583   6.623
  285   HG13  VAL  34          3HG1      VAL  34   3.261  -5.578   5.375
  286   HG21  VAL  34          1HG2      VAL  34   3.521  -8.797   6.880
  287   HG22  VAL  34          2HG2      VAL  34   1.983  -9.300   6.140
  288   HG23  VAL  34          3HG2      VAL  34   3.528  -9.765   5.387
  289    H    LYS  35           H        LYS  35   1.972  -5.130   3.552
  290    HA   LYS  35           HA       LYS  35  -0.478  -4.343   4.967
  291    HB2  LYS  35          1HB       LYS  35   1.360  -3.637   6.347
  292    HB3  LYS  35          2HB       LYS  35   2.214  -2.955   4.977
  293    HG2  LYS  35          1HG       LYS  35   1.162  -1.104   6.105
  294    HG3  LYS  35          2HG       LYS  35   0.244  -1.368   4.635
  295    HD2  LYS  35          1HD       LYS  35  -1.262  -2.931   6.141
  296    HD3  LYS  35          2HD       LYS  35  -0.514  -2.088   7.484
  297    HE2  LYS  35          1HE       LYS  35  -1.829  -0.599   5.170
  298    HE3  LYS  35          2HE       LYS  35  -2.733  -1.107   6.583
  299    HZ1  LYS  35          1HZ       LYS  35  -0.860   1.014   6.320
  300    HZ2  LYS  35          2HZ       LYS  35  -2.033   0.797   7.435
  301    HZ3  LYS  35          3HZ       LYS  35  -0.574   0.091   7.638
  302    H    ARG  36           H        ARG  36  -1.643  -2.558   4.002
  303    HA   ARG  36           HA       ARG  36  -0.702  -1.809   1.380
  304    HB2  ARG  36          1HB       ARG  36  -3.502  -2.940   1.891
  305    HB3  ARG  36          2HB       ARG  36  -2.944  -2.283   0.366
  306    HG2  ARG  36          1HG       ARG  36  -0.957  -4.125   0.874
  307    HG3  ARG  36          2HG       ARG  36  -2.325  -4.911   1.636
  308    HD2  ARG  36          1HD       ARG  36  -3.592  -4.312  -0.618
  309    HD3  ARG  36          2HD       ARG  36  -1.977  -4.131  -1.274
  310    HE   ARG  36           HE       ARG  36  -1.974  -6.589   0.112
  311   HH11  ARG  36          1HH1      ARG  36  -3.134  -8.647  -2.456
  312   HH12  ARG  36          2HH1      ARG  36  -2.302  -8.592  -0.938
  313   HH21  ARG  36          1HH2      ARG  36  -3.915  -6.687  -3.424
  314   HH22  ARG  36          2HH2      ARG  36  -3.666  -5.169  -2.628
  315    H    GLY  37           H        GLY  37  -0.641   0.414   1.583
  316    HA2  GLY  37          1HA       GLY  37  -3.083   1.790   2.379
  317    HA3  GLY  37          2HA       GLY  37  -1.677   2.052   3.394
  318    H    CYS  38           H        CYS  38  -2.004   4.361   2.618
  319    HA   CYS  38           HA       CYS  38  -0.742   4.693  -0.005
  320    HB2  CYS  38          1HB       CYS  38  -2.778   6.469   1.375
  321    HB3  CYS  38          2HB       CYS  38  -1.888   6.933  -0.061
  322    H    ILE  39           H        ILE  39   0.721   6.644  -0.130
  323    HA   ILE  39           HA       ILE  39   1.575   7.709   2.420
  324    HB   ILE  39           HB       ILE  39   2.806   5.570   2.133
  325   HG12  ILE  39          1HG1      ILE  39   4.928   7.624   1.923
  326   HG13  ILE  39          2HG1      ILE  39   3.670   7.971   3.094
  327   HG21  ILE  39          1HG2      ILE  39   4.026   5.030   0.325
  328   HG22  ILE  39          2HG2      ILE  39   2.978   6.208  -0.502
  329   HG23  ILE  39          3HG2      ILE  39   4.591   6.698   0.071
  330   HD11  ILE  39          1HD1      ILE  39   3.991   5.575   3.977
  331   HD12  ILE  39          2HD1      ILE  39   5.449   5.503   2.958
  332   HD13  ILE  39          3HD1      ILE  39   5.338   6.702   4.269
  333    H    ASP  40           H        ASP  40   3.175   9.525   2.086
  334    HA   ASP  40           HA       ASP  40   2.293  10.999  -0.191
  335    HB2  ASP  40          1HB       ASP  40   2.569  12.000   2.106
  336    HB3  ASP  40          2HB       ASP  40   4.295  11.722   2.000
  337    H    VAL  41           H        VAL  41   5.328   9.585   1.181
  338    HA   VAL  41           HA       VAL  41   6.568   9.943  -1.455
  339    HB   VAL  41           HB       VAL  41   7.760  10.358   1.288
  340   HG11  VAL  41          1HG1      VAL  41   9.791   9.840   0.529
  341   HG12  VAL  41          2HG1      VAL  41   9.045   9.247  -0.974
  342   HG13  VAL  41          3HG1      VAL  41   9.596  10.936  -0.859
  343   HG21  VAL  41          1HG2      VAL  41   8.342  12.592   0.358
  344   HG22  VAL  41          2HG2      VAL  41   7.431  12.183  -1.116
  345   HG23  VAL  41          3HG2      VAL  41   6.588  12.303   0.449
  346    H    CYS  42           H        CYS  42   7.665   8.154  -2.270
  347    HA   CYS  42           HA       CYS  42   6.909   5.673  -1.242
  348    HB2  CYS  42          1HB       CYS  42   7.503   6.234  -3.647
  349    HB3  CYS  42          2HB       CYS  42   9.189   6.189  -3.175
  350    H    PRO  43           H        PRO  43   7.278   4.597   0.789
  351    HA   PRO  43           HA       PRO  43  10.260   5.210   1.746
  352   1HB   PRO  43          1HB       PRO  43   8.851   2.627   2.162
  353   2HB   PRO  43          2HB       PRO  43   9.337   3.798   3.332
  354   1HG   PRO  43          1HG       PRO  43   6.727   3.596   2.656
  355   2HG   PRO  43          2HG       PRO  43   7.421   5.172   2.874
  356   1HD   PRO  43          1HD       PRO  43   6.999   3.741   0.231
  357   2HD   PRO  43          2HD       PRO  43   6.516   5.351   0.668
  358    H    LYS  44           H        LYS  44  12.194   4.028   1.975
  359    HA   LYS  44           HA       LYS  44  13.034   2.759  -0.439
  360    HB2  LYS  44          1HB       LYS  44  14.490   3.084   2.200
  361    HB3  LYS  44          2HB       LYS  44  15.207   2.640   0.665
  362    HG2  LYS  44          1HG       LYS  44  13.598   5.200   0.881
  363    HG3  LYS  44          2HG       LYS  44  15.252   5.166   1.459
  364    HD2  LYS  44          1HD       LYS  44  16.147   4.940  -0.670
  365    HD3  LYS  44          2HD       LYS  44  14.801   3.981  -1.255
  366    HE2  LYS  44          1HE       LYS  44  14.483   6.942  -0.615
  367    HE3  LYS  44          2HE       LYS  44  15.049   6.401  -2.184
  368    HZ1  LYS  44          1HZ       LYS  44  13.013   5.787  -2.731
  369    HZ2  LYS  44          2HZ       LYS  44  12.742   4.992  -1.331
  370    HZ3  LYS  44          3HZ       LYS  44  12.472   6.600  -1.422
  371    H    ASN  45           H        ASN  45  13.902   0.568  -0.600
  372    HA   ASN  45           HA       ASN  45  12.207  -1.224   0.836
  373    HB2  ASN  45          1HB       ASN  45  14.319  -1.613  -1.344
  374    HB3  ASN  45          2HB       ASN  45  13.445  -2.958  -0.638
  375   HD21  ASN  45          1HD2      ASN  45  13.164  -2.758  -3.207
  376   HD22  ASN  45          2HD2      ASN  45  11.638  -2.102  -3.699
  377    H    SER  46           H        SER  46  13.201  -3.250   1.888
  378    HA   SER  46           HA       SER  46  15.916  -2.778   2.796
  379    HB2  SER  46          1HB       SER  46  15.205  -3.484   5.123
  380    HB3  SER  46          2HB       SER  46  14.598  -1.918   4.622
  381    HG   SER  46           HG       SER  46  12.632  -3.296   3.858
  382    H    LEU  47           H        LEU  47  16.643  -4.896   4.127
  383    HA   LEU  47           HA       LEU  47  16.065  -7.096   2.346
  384    HB2  LEU  47          1HB       LEU  47  17.967  -6.947   4.687
  385    HB3  LEU  47          2HB       LEU  47  17.914  -8.189   3.452
  386    HG   LEU  47           HG       LEU  47  18.220  -5.663   2.142
  387   HD11  LEU  47          1HD1      LEU  47  19.094  -5.141   4.558
  388   HD12  LEU  47          2HD1      LEU  47  20.521  -6.062   4.021
  389   HD13  LEU  47          3HD1      LEU  47  20.010  -4.609   3.127
  390   HD21  LEU  47          1HD2      LEU  47  19.810  -6.771   0.961
  391   HD22  LEU  47          2HD2      LEU  47  20.515  -7.539   2.405
  392   HD23  LEU  47          3HD2      LEU  47  19.010  -8.179   1.702
  393    H    LEU  48           H        LEU  48  14.336  -5.801   4.759
  394    HA   LEU  48           HA       LEU  48  13.614  -8.436   5.844
  395    HB2  LEU  48          1HB       LEU  48  13.379  -5.752   7.209
  396    HB3  LEU  48          2HB       LEU  48  12.910  -7.303   7.875
  397    HG   LEU  48           HG       LEU  48  15.744  -6.532   7.125
  398   HD11  LEU  48          1HD1      LEU  48  16.054  -6.546   9.654
  399   HD12  LEU  48          2HD1      LEU  48  15.186  -5.158   8.953
  400   HD13  LEU  48          3HD1      LEU  48  14.280  -6.458   9.765
  401   HD21  LEU  48          1HD2      LEU  48  14.692  -8.942   8.634
  402   HD22  LEU  48          2HD2      LEU  48  15.334  -8.938   6.974
  403   HD23  LEU  48          3HD2      LEU  48  16.402  -8.546   8.343
  404    H    VAL  49           H        VAL  49  12.424  -5.136   4.940
  405    HA   VAL  49           HA       VAL  49   9.924  -6.445   4.133
  406    HB   VAL  49           HB       VAL  49   9.281  -5.383   6.082
  407   HG11  VAL  49          1HG1      VAL  49  11.443  -4.232   6.492
  408   HG12  VAL  49          2HG1      VAL  49  10.957  -2.958   5.348
  409   HG13  VAL  49          3HG1      VAL  49  10.035  -3.205   6.850
  410   HG21  VAL  49          1HG2      VAL  49   7.645  -4.007   5.334
  411   HG22  VAL  49          2HG2      VAL  49   8.781  -2.946   4.467
  412   HG23  VAL  49          3HG2      VAL  49   8.262  -4.483   3.734
  413    H    LYS  50           H        LYS  50   8.935  -5.591   2.234
  414    HA   LYS  50           HA       LYS  50  10.777  -3.917   0.680
  415    HB2  LYS  50          1HB       LYS  50  10.242  -6.321  -0.046
  416    HB3  LYS  50          2HB       LYS  50   8.640  -5.735  -0.443
  417    HG2  LYS  50          1HG       LYS  50   9.375  -4.718  -2.343
  418    HG3  LYS  50          2HG       LYS  50  10.690  -3.924  -1.499
  419    HD2  LYS  50          1HD       LYS  50  12.140  -5.846  -1.738
  420    HD3  LYS  50          2HD       LYS  50  10.812  -6.879  -2.230
  421    HE2  LYS  50          1HE       LYS  50  11.164  -4.472  -3.945
  422    HE3  LYS  50          2HE       LYS  50  12.532  -5.568  -3.968
  423    HZ1  LYS  50          1HZ       LYS  50  11.117  -7.330  -4.606
  424    HZ2  LYS  50          2HZ       LYS  50   9.762  -6.449  -4.375
  425    HZ3  LYS  50          3HZ       LYS  50  10.780  -6.075  -5.596
  426    H    TYR  51           H        TYR  51   9.714  -2.392  -0.887
  427    HA   TYR  51           HA       TYR  51   7.073  -1.531   0.045
  428    HB2  TYR  51          1HB       TYR  51   9.748  -0.054  -0.182
  429    HB3  TYR  51          2HB       TYR  51   8.257   0.852  -0.343
  430    HD1  TYR  51          1HD       TYR  51   6.746   1.147   1.581
  431    HD2  TYR  51          2HD       TYR  51  10.452  -0.954   1.970
  432    HE1  TYR  51          1HE       TYR  51   6.601   1.347   4.111
  433    HE2  TYR  51          2HE       TYR  51  10.294  -0.748   4.499
  434    HH   TYR  51           HH       TYR  51   9.251   0.218   6.163
  435    H    VAL  52           H        VAL  52   5.703  -1.281  -1.645
  436    HA   VAL  52           HA       VAL  52   6.917  -0.622  -4.238
  437    HB   VAL  52           HB       VAL  52   4.456  -2.311  -4.016
  438   HG11  VAL  52          1HG1      VAL  52   4.727  -2.573  -6.225
  439   HG12  VAL  52          2HG1      VAL  52   5.931  -1.266  -6.128
  440   HG13  VAL  52          3HG1      VAL  52   6.456  -2.965  -6.048
  441   HG21  VAL  52          1HG2      VAL  52   6.328  -4.231  -4.344
  442   HG22  VAL  52          2HG2      VAL  52   7.214  -3.128  -3.264
  443   HG23  VAL  52          3HG2      VAL  52   5.640  -3.790  -2.763
  444    H    CYS  53           H        CYS  53   6.368   1.462  -4.639
  445    HA   CYS  53           HA       CYS  53   3.735   2.331  -3.732
  446    HB2  CYS  53          1HB       CYS  53   5.915   4.138  -4.789
  447    HB3  CYS  53          2HB       CYS  53   4.534   4.559  -3.795
  448    H    CYS  54           H        CYS  54   2.272   3.341  -5.261
  449    HA   CYS  54           HA       CYS  54   3.083   3.250  -8.044
  450    HB2  CYS  54          1HB       CYS  54   0.805   2.143  -8.563
  451    HB3  CYS  54          2HB       CYS  54   2.130   1.127  -8.030
  452    H    ASN  55           H        ASN  55   1.955   4.835  -9.297
  453    HA   ASN  55           HA       ASN  55   0.541   6.735  -7.652
  454    HB2  ASN  55          1HB       ASN  55   0.870   8.288  -9.533
  455    HB3  ASN  55          2HB       ASN  55   2.390   7.482  -9.201
  456   HD21  ASN  55          1HD2      ASN  55   3.432   7.061 -10.981
  457   HD22  ASN  55          2HD2      ASN  55   2.780   6.455 -12.466
  458    H    THR  56           H        THR  56  -0.405   3.983  -8.974
  459    HA   THR  56           HA       THR  56  -2.601   5.001 -10.614
  460    HB   THR  56           HB       THR  56  -2.774   2.235 -10.564
  461    HG1  THR  56          1HG       THR  56  -0.661   1.498 -10.200
  462   HG21  THR  56          1HG2      THR  56  -0.601   3.002 -12.355
  463   HG22  THR  56          2HG2      THR  56  -2.263   2.523 -12.772
  464   HG23  THR  56          3HG2      THR  56  -1.892   4.227 -12.413
  465    H    ASP  57           H        ASP  57  -4.800   3.984 -10.255
  466    HA   ASP  57           HA       ASP  57  -5.413   4.416  -7.499
  467    HB2  ASP  57          1HB       ASP  57  -6.940   4.109 -10.074
  468    HB3  ASP  57          2HB       ASP  57  -7.802   3.732  -8.594
  469    H    ARG  58           H        ARG  58  -6.275   2.786  -6.071
  470    HA   ARG  58           HA       ARG  58  -6.286   0.781  -5.219
  471    HB2  ARG  58          1HB       ARG  58  -7.867   0.338  -7.791
  472    HB3  ARG  58          2HB       ARG  58  -7.770  -0.890  -6.546
  473    HG2  ARG  58          1HG       ARG  58  -8.459   1.241  -4.992
  474    HG3  ARG  58          2HG       ARG  58  -9.185   1.756  -6.501
  475    HD2  ARG  58          1HD       ARG  58  -9.656  -1.093  -5.628
  476    HD3  ARG  58          2HD       ARG  58 -10.502   0.173  -4.759
  477    HE   ARG  58           HE       ARG  58 -10.672   0.415  -7.685
  478   HH11  ARG  58          1HH1      ARG  58 -14.048  -0.468  -7.713
  479   HH12  ARG  58          2HH1      ARG  58 -12.736   0.185  -8.637
  480   HH21  ARG  58          1HH2      ARG  58 -13.708  -1.109  -5.509
  481   HH22  ARG  58          2HH2      ARG  58 -12.144  -0.933  -4.787
  482    H    CYS  59           H        CYS  59  -3.930   1.370  -6.960
  483    HA   CYS  59           HA       CYS  59  -3.358  -0.903  -8.519
  484    HB2  CYS  59          1HB       CYS  59  -0.992  -0.000  -8.425
  485    HB3  CYS  59          2HB       CYS  59  -2.202   1.087  -9.074
  486    H    ASN  60           H        ASN  60  -2.913   0.067  -5.102
  487    HA   ASN  60           HA       ASN  60  -1.299  -2.254  -4.597
  488    HB2  ASN  60          1HB       ASN  60  -0.993  -1.332  -2.387
  489    HB3  ASN  60          2HB       ASN  60  -0.969   0.045  -3.472
  490   HD21  ASN  60          1HD2      ASN  60  -1.851  -0.620  -0.576
  491   HD22  ASN  60          2HD2      ASN  60  -3.371   0.192  -0.396
  492    H1   HOH 101          1H        HOH  61   5.053 -11.172   2.392
  493    H2   HOH 101          2H        HOH  61   3.947 -10.161   2.603
  Start of MODEL   15
    1    H1   LEU   1           H        LEU   1  -5.581  10.611  -4.355
    2    HA   LEU   1           HA       LEU   1  -6.797   8.686  -5.951
    3    HB2  LEU   1          1HB       LEU   1  -4.278   9.472  -5.493
    4    HB3  LEU   1          2HB       LEU   1  -4.289   8.028  -4.501
    5    HG   LEU   1           HG       LEU   1  -5.449   7.300  -6.986
    6   HD11  LEU   1          1HD1      LEU   1  -2.891   8.886  -7.342
    7   HD12  LEU   1          2HD1      LEU   1  -3.658   7.854  -8.574
    8   HD13  LEU   1          3HD1      LEU   1  -4.499   9.306  -7.981
    9   HD21  LEU   1          1HD2      LEU   1  -3.173   6.573  -5.284
   10   HD22  LEU   1          2HD2      LEU   1  -4.320   5.548  -6.180
   11   HD23  LEU   1          3HD2      LEU   1  -2.914   6.250  -7.015
   12    H    LYS   2           H        LYS   2  -6.855   6.277  -5.492
   13    HA   LYS   2           HA       LYS   2  -7.700   5.849  -2.711
   14    HB2  LYS   2          1HB       LYS   2  -8.968   4.916  -5.291
   15    HB3  LYS   2          2HB       LYS   2  -9.288   4.130  -3.758
   16    HG2  LYS   2          1HG       LYS   2 -10.879   5.707  -3.392
   17    HG3  LYS   2          2HG       LYS   2  -9.577   6.857  -3.152
   18    HD2  LYS   2          1HD       LYS   2  -9.689   6.812  -5.899
   19    HD3  LYS   2          2HD       LYS   2 -11.365   6.477  -5.516
   20    HE2  LYS   2          1HE       LYS   2 -10.039   8.707  -3.990
   21    HE3  LYS   2          2HE       LYS   2 -10.386   9.000  -5.681
   22    HZ1  LYS   2          1HZ       LYS   2 -12.230   9.625  -4.317
   23    HZ2  LYS   2          2HZ       LYS   2 -12.673   8.357  -5.247
   24    HZ3  LYS   2          3HZ       LYS   2 -12.339   8.131  -3.665
   25    H    CYS   3           H        CYS   3  -7.114   3.859  -1.741
   26    HA   CYS   3           HA       CYS   3  -5.364   2.179  -3.363
   27    HB2  CYS   3          1HB       CYS   3  -4.594   2.887  -0.532
   28    HB3  CYS   3          2HB       CYS   3  -3.617   2.149  -1.784
   29    H    ASN   4           H        ASN   4  -5.310  -0.061  -2.588
   30    HA   ASN   4           HA       ASN   4  -7.729  -0.699  -1.183
   31    HB2  ASN   4          1HB       ASN   4  -5.657  -2.691  -2.199
   32    HB3  ASN   4          2HB       ASN   4  -7.374  -2.953  -1.974
   33   HD21  ASN   4          1HD2      ASN   4  -6.044  -3.548  -4.323
   34   HD22  ASN   4          2HD2      ASN   4  -6.596  -2.521  -5.604
   35    H    LYS   5           H        LYS   5  -7.559  -2.531   0.555
   36    HA   LYS   5           HA       LYS   5  -5.324  -1.873   2.307
   37    HB2  LYS   5          1HB       LYS   5  -7.933  -3.310   2.878
   38    HB3  LYS   5          2HB       LYS   5  -6.714  -2.897   4.067
   39    HG2  LYS   5          1HG       LYS   5  -8.459  -1.010   2.442
   40    HG3  LYS   5          2HG       LYS   5  -8.353  -1.147   4.184
   41    HD2  LYS   5          1HD       LYS   5  -6.175  -0.091   2.322
   42    HD3  LYS   5          2HD       LYS   5  -7.144   0.863   3.427
   43    HE2  LYS   5          1HE       LYS   5  -5.100  -1.279   4.177
   44    HE3  LYS   5          2HE       LYS   5  -4.959   0.446   4.454
   45    HZ1  LYS   5          1HZ       LYS   5  -7.278  -0.137   5.642
   46    HZ2  LYS   5          2HZ       LYS   5  -6.427  -1.501   5.931
   47    HZ3  LYS   5          3HZ       LYS   5  -5.840  -0.055   6.412
   48    H    LEU   6           H        LEU   6  -5.190  -4.174   3.879
   49    HA   LEU   6           HA       LEU   6  -3.368  -5.703   2.602
   50    HB2  LEU   6          1HB       LEU   6  -4.211  -5.613   5.067
   51    HB3  LEU   6          2HB       LEU   6  -5.248  -6.940   4.584
   52    HG   LEU   6           HG       LEU   6  -3.379  -8.344   4.074
   53   HD11  LEU   6          1HD1      LEU   6  -1.772  -5.812   4.284
   54   HD12  LEU   6          2HD1      LEU   6  -1.010  -7.397   4.554
   55   HD13  LEU   6          3HD1      LEU   6  -1.795  -7.040   2.996
   56   HD21  LEU   6          1HD2      LEU   6  -2.930  -8.859   6.204
   57   HD22  LEU   6          2HD2      LEU   6  -2.223  -7.262   6.548
   58   HD23  LEU   6          3HD2      LEU   6  -3.989  -7.485   6.604
   59    H    VAL   7           H        VAL   7  -6.944  -6.221   2.701
   60    HA   VAL   7           HA       VAL   7  -6.568  -8.248   0.610
   61    HB   VAL   7           HB       VAL   7  -8.517  -7.877   2.842
   62   HG11  VAL   7          1HG1      VAL   7  -9.155  -9.004   0.129
   63   HG12  VAL   7          2HG1      VAL   7  -9.889  -9.728   1.579
   64   HG13  VAL   7          3HG1      VAL   7 -10.156  -8.007   1.210
   65   HG21  VAL   7          1HG2      VAL   7  -6.982 -10.211   1.665
   66   HG22  VAL   7          2HG2      VAL   7  -6.750  -9.430   3.249
   67   HG23  VAL   7          3HG2      VAL   7  -8.218 -10.388   2.934
   68    H    PRO   8           H        PRO   8  -6.563  -7.774  -1.597
   69    HA   PRO   8           HA       PRO   8  -7.896  -5.020  -2.096
   70   1HB   PRO   8          1HB       PRO   8  -8.178  -7.395  -3.909
   71   2HB   PRO   8          2HB       PRO   8  -7.430  -5.872  -4.234
   72   1HG   PRO   8          1HG       PRO   8  -5.867  -7.986  -3.676
   73   2HG   PRO   8          2HG       PRO   8  -5.486  -6.466  -2.930
   74   1HD   PRO   8          1HD       PRO   8  -6.961  -8.784  -1.663
   75   2HD   PRO   8          2HD       PRO   8  -5.665  -7.834  -0.999
   76    H    ILE   9           H        ILE   9 -10.018  -7.217  -0.693
   77    HA   ILE   9           HA       ILE   9 -12.246  -6.639  -2.436
   78    HB   ILE   9           HB       ILE   9 -11.548  -8.643  -0.565
   79   HG12  ILE   9          1HG1      ILE   9 -12.492  -9.079  -2.743
   80   HG13  ILE   9          2HG1      ILE   9 -13.525  -9.772  -1.510
   81   HG21  ILE   9          1HG2      ILE   9 -12.747  -7.146   1.077
   82   HG22  ILE   9          2HG2      ILE   9 -14.227  -7.424   0.130
   83   HG23  ILE   9          3HG2      ILE   9 -13.400  -8.793   0.911
   84   HD11  ILE   9          1HD1      ILE   9 -14.169  -7.759  -3.505
   85   HD12  ILE   9          2HD1      ILE   9 -15.261  -8.622  -2.396
   86   HD13  ILE   9          3HD1      ILE   9 -14.471  -7.115  -1.873
   87    H    ALA  10           H        ALA  10 -10.524  -4.796  -0.335
   88    HA   ALA  10           HA       ALA  10 -12.771  -3.059   0.108
   89    HB1  ALA  10          1HB       ALA  10 -12.976  -4.524   2.054
   90    HB2  ALA  10          2HB       ALA  10 -11.252  -4.302   2.435
   91    HB3  ALA  10          3HB       ALA  10 -12.377  -2.928   2.568
   92    H    TYR  11           H        TYR  11 -12.098  -0.947  -0.023
   93    HA   TYR  11           HA       TYR  11  -9.274  -0.396   0.478
   94    HB2  TYR  11          1HB       TYR  11  -9.082   0.619  -1.740
   95    HB3  TYR  11          2HB       TYR  11  -9.837  -0.938  -2.010
   96    HD1  TYR  11          1HD       TYR  11 -12.511  -0.898  -1.937
   97    HD2  TYR  11          2HD       TYR  11 -10.029   2.493  -2.737
   98    HE1  TYR  11          1HE       TYR  11 -14.451   0.254  -3.110
   99    HE2  TYR  11          2HE       TYR  11 -11.976   3.633  -3.909
  100    HH   TYR  11           HH       TYR  11 -14.984   1.915  -4.491
  101    H    LYS  12           H        LYS  12  -8.847   2.011   0.556
  102    HA   LYS  12           HA       LYS  12 -11.275   3.524   1.159
  103    HB2  LYS  12          1HB       LYS  12  -8.860   3.301   2.980
  104    HB3  LYS  12          2HB       LYS  12 -10.169   4.447   3.185
  105    HG2  LYS  12          1HG       LYS  12 -11.445   1.931   2.848
  106    HG3  LYS  12          2HG       LYS  12 -10.075   1.606   3.890
  107    HD2  LYS  12          1HD       LYS  12 -11.260   2.451   5.628
  108    HD3  LYS  12          2HD       LYS  12 -11.157   4.032   4.876
  109    HE2  LYS  12          1HE       LYS  12 -13.419   3.978   4.659
  110    HE3  LYS  12          2HE       LYS  12 -13.203   2.746   3.431
  111    HZ1  LYS  12          1HZ       LYS  12 -13.202   1.110   5.257
  112    HZ2  LYS  12          2HZ       LYS  12 -13.593   2.299   6.305
  113    HZ3  LYS  12          3HZ       LYS  12 -14.620   1.906   5.097
  114    H    THR  13           H        THR  13 -10.045   5.927   1.904
  115    HA   THR  13           HA       THR  13  -8.781   6.634  -0.643
  116    HB   THR  13           HB       THR  13  -9.882   8.668  -0.390
  117    HG1  THR  13          1HG       THR  13  -9.329   9.702   1.486
  118   HG21  THR  13          1HG2      THR  13 -11.604   6.751   0.199
  119   HG22  THR  13          2HG2      THR  13 -11.429   7.343   1.870
  120   HG23  THR  13          3HG2      THR  13 -12.037   8.432   0.598
  121    H    CYS  14           H        CYS  14  -6.795   7.647  -0.808
  122    HA   CYS  14           HA       CYS  14  -4.948   6.966   1.175
  123    HB2  CYS  14          1HB       CYS  14  -4.636   8.934  -1.116
  124    HB3  CYS  14          2HB       CYS  14  -3.331   8.230  -0.181
  125    H    PRO  15           H        PRO  15  -4.799   7.523   3.416
  126    HA   PRO  15           HA       PRO  15  -6.538  10.104   3.813
  127   1HB   PRO  15          1HB       PRO  15  -4.743   9.734   5.904
  128   2HB   PRO  15          2HB       PRO  15  -6.167   8.793   5.647
  129   1HG   PRO  15          1HG       PRO  15  -3.288   8.175   4.868
  130   2HG   PRO  15          2HG       PRO  15  -4.495   7.113   5.519
  131   1HD   PRO  15          1HD       PRO  15  -3.981   7.070   2.862
  132   2HD   PRO  15          2HD       PRO  15  -5.585   6.782   3.471
  133    H    GLU  16           H        GLU  16  -5.454  11.770   5.650
  134    HA   GLU  16           HA       GLU  16  -4.577  13.859   4.064
  135    HB2  GLU  16          1HB       GLU  16  -4.338  13.529   7.089
  136    HB3  GLU  16          2HB       GLU  16  -4.217  15.048   6.223
  137    HG2  GLU  16          1HG       GLU  16  -6.671  13.364   5.744
  138    HG3  GLU  16          2HG       GLU  16  -6.544  14.192   7.284
  139    H    GLY  17           H        GLY  17  -2.576  14.448   3.318
  140    HA2  GLY  17          1HA       GLY  17  -0.307  14.701   3.328
  141    HA3  GLY  17          2HA       GLY  17  -0.190  13.752   4.796
  142    H    LYS  18           H        LYS  18  -2.206  12.169   2.512
  143    HA   LYS  18           HA       LYS  18   0.049  10.756   1.311
  144    HB2  LYS  18          1HB       LYS  18  -2.240   9.380   2.747
  145    HB3  LYS  18          2HB       LYS  18  -0.978   8.584   1.831
  146    HG2  LYS  18          1HG       LYS  18   0.380   8.611   3.644
  147    HG3  LYS  18          2HG       LYS  18   0.321  10.361   3.681
  148    HD2  LYS  18          1HD       LYS  18  -2.089   9.899   4.800
  149    HD3  LYS  18          2HD       LYS  18  -1.339   8.371   5.218
  150    HE2  LYS  18          1HE       LYS  18   0.413  10.709   5.734
  151    HE3  LYS  18          2HE       LYS  18  -1.077  10.748   6.654
  152    HZ1  LYS  18          1HZ       LYS  18   0.831   8.515   6.573
  153    HZ2  LYS  18          2HZ       LYS  18   0.588   9.533   7.826
  154    HZ3  LYS  18          3HZ       LYS  18  -0.587   8.490   7.381
  155    H    ASN  19           H        ASN  19  -0.359   9.971  -0.780
  156    HA   ASN  19           HA       ASN  19  -3.058  10.337  -1.751
  157    HB2  ASN  19          1HB       ASN  19  -1.964  12.460  -2.336
  158    HB3  ASN  19          2HB       ASN  19  -0.557  11.622  -2.959
  159   HD21  ASN  19          1HD2      ASN  19  -0.464  11.770  -5.058
  160   HD22  ASN  19          2HD2      ASN  19  -1.767  11.602  -6.186
  161    H    LEU  20           H        LEU  20   0.375   9.327  -2.298
  162    HA   LEU  20           HA       LEU  20  -0.312   7.580  -4.458
  163    HB2  LEU  20          1HB       LEU  20   2.187   8.172  -2.896
  164    HB3  LEU  20          2HB       LEU  20   2.120   6.834  -4.026
  165    HG   LEU  20           HG       LEU  20   1.144   9.330  -5.202
  166   HD11  LEU  20          1HD1      LEU  20   4.089   9.414  -4.833
  167   HD12  LEU  20          2HD1      LEU  20   2.906  10.734  -4.992
  168   HD13  LEU  20          3HD1      LEU  20   3.089   9.886  -3.438
  169   HD21  LEU  20          1HD2      LEU  20   1.826   8.292  -7.038
  170   HD22  LEU  20          2HD2      LEU  20   3.495   8.194  -6.429
  171   HD23  LEU  20          3HD2      LEU  20   2.323   6.918  -6.023
  172    H    CYS  21           H        CYS  21   0.018   5.212  -4.404
  173    HA   CYS  21           HA       CYS  21  -0.875   4.190  -1.820
  174    HB2  CYS  21          1HB       CYS  21  -1.035   2.803  -4.513
  175    HB3  CYS  21          2HB       CYS  21  -1.803   2.309  -3.017
  176    H    TYR  22           H        TYR  22   0.334   2.565  -0.761
  177    HA   TYR  22           HA       TYR  22   2.773   1.681  -2.140
  178    HB2  TYR  22          1HB       TYR  22   4.028   2.317  -0.191
  179    HB3  TYR  22          2HB       TYR  22   2.869   3.626  -0.316
  180    HD1  TYR  22          1HD       TYR  22   1.671   4.227   1.583
  181    HD2  TYR  22          2HD       TYR  22   3.198   0.243   1.279
  182    HE1  TYR  22          1HE       TYR  22   0.867   3.731   3.943
  183    HE2  TYR  22          2HE       TYR  22   2.389  -0.241   3.641
  184    HH   TYR  22           HH       TYR  22   0.183   1.628   5.206
  185    H    LYS  23           H        LYS  23   3.532  -0.417  -1.559
  186    HA   LYS  23           HA       LYS  23   1.713  -1.917   0.184
  187    HB2  LYS  23          1HB       LYS  23   1.778  -2.157  -2.594
  188    HB3  LYS  23          2HB       LYS  23   2.761  -3.496  -2.037
  189    HG2  LYS  23          1HG       LYS  23   0.901  -4.111  -0.418
  190    HG3  LYS  23          2HG       LYS  23  -0.083  -2.847  -1.129
  191    HD2  LYS  23          1HD       LYS  23   1.044  -5.290  -2.574
  192    HD3  LYS  23          2HD       LYS  23  -0.635  -5.013  -2.160
  193    HE2  LYS  23          1HE       LYS  23  -0.912  -3.970  -4.154
  194    HE3  LYS  23          2HE       LYS  23   0.157  -2.695  -3.601
  195    HZ1  LYS  23          1HZ       LYS  23   1.984  -3.771  -4.533
  196    HZ2  LYS  23          2HZ       LYS  23   1.193  -5.186  -4.743
  197    HZ3  LYS  23          3HZ       LYS  23   0.819  -3.896  -5.672
  198    H    MET  24           H        MET  24   2.827  -2.717   1.875
  199    HA   MET  24           HA       MET  24   5.690  -3.017   1.512
  200    HB2  MET  24          1HB       MET  24   3.803  -2.591   3.845
  201    HB3  MET  24          2HB       MET  24   5.320  -3.405   4.176
  202    HG2  MET  24          1HG       MET  24   6.596  -1.511   3.767
  203    HG3  MET  24          2HG       MET  24   5.528  -0.927   2.505
  204    HE1  MET  24          1HE       MET  24   5.438  -0.464   6.949
  205    HE2  MET  24          2HE       MET  24   4.159  -1.628   6.531
  206    HE3  MET  24          3HE       MET  24   5.835  -1.923   6.012
  207    H    PHE  25           H        PHE  25   6.802  -4.976   2.075
  208    HA   PHE  25           HA       PHE  25   5.036  -7.274   2.510
  209    HB2  PHE  25          1HB       PHE  25   7.359  -6.809   0.557
  210    HB3  PHE  25          2HB       PHE  25   6.831  -8.430   0.962
  211    HD1  PHE  25          1HD       PHE  25   5.059  -9.416  -0.199
  212    HD2  PHE  25          2HD       PHE  25   5.607  -5.215  -0.445
  213    HE1  PHE  25          1HE       PHE  25   3.307  -9.292  -1.992
  214    HE2  PHE  25          2HE       PHE  25   3.854  -5.091  -2.238
  215    HZ   PHE  25           HZ       PHE  25   2.725  -7.131  -2.990
  216    H    MET  26           H        MET  26   6.567  -9.309   3.024
  217    HA   MET  26           HA       MET  26   8.805  -8.409   4.629
  218    HB2  MET  26          1HB       MET  26   6.452 -10.124   5.593
  219    HB3  MET  26          2HB       MET  26   7.953  -9.980   6.487
  220    HG2  MET  26          1HG       MET  26   7.630  -7.515   6.668
  221    HG3  MET  26          2HG       MET  26   6.158  -7.623   5.724
  222    HE1  MET  26          1HE       MET  26   7.619  -9.929   8.713
  223    HE2  MET  26          2HE       MET  26   7.980  -8.204   8.957
  224    HE3  MET  26          3HE       MET  26   6.828  -9.034  10.031
  225    H    MET  27           H        MET  27  10.203 -10.307   5.361
  226    HA   MET  27           HA       MET  27  10.864 -11.851   3.208
  227    HB2  MET  27          1HB       MET  27  11.410 -11.917   6.186
  228    HB3  MET  27          2HB       MET  27  11.918 -13.307   5.249
  229    HG2  MET  27          1HG       MET  27  12.634 -10.636   4.092
  230    HG3  MET  27          2HG       MET  27  13.456 -11.065   5.578
  231    HE1  MET  27          1HE       MET  27  15.812 -13.561   4.999
  232    HE2  MET  27          2HE       MET  27  14.537 -12.970   6.091
  233    HE3  MET  27          3HE       MET  27  14.301 -14.484   5.184
  234    H    SER  28           H        SER  28   8.193 -12.219   5.356
  235    HA   SER  28           HA       SER  28   8.030 -14.985   5.462
  236    HB2  SER  28          1HB       SER  28   6.700 -13.632   6.957
  237    HB3  SER  28          2HB       SER  28   5.931 -12.789   5.628
  238    HG   SER  28           HG       SER  28   4.833 -14.730   5.038
  239    H    ASP  29           H        ASP  29   6.909 -12.546   3.069
  240    HA   ASP  29           HA       ASP  29   6.934 -14.419   1.018
  241    HB2  ASP  29          1HB       ASP  29   4.330 -14.001   0.558
  242    HB3  ASP  29          2HB       ASP  29   4.876 -15.355   1.527
  243    H    LEU  30           H        LEU  30   8.059 -12.739  -0.106
  244    HA   LEU  30           HA       LEU  30   7.095 -10.067  -0.113
  245    HB2  LEU  30          1HB       LEU  30   9.203 -11.509  -1.719
  246    HB3  LEU  30          2HB       LEU  30   8.860  -9.798  -1.886
  247    HG   LEU  30           HG       LEU  30   9.667 -11.064   0.741
  248   HD11  LEU  30          1HD1      LEU  30  11.455 -11.477  -0.840
  249   HD12  LEU  30          2HD1      LEU  30  11.439  -9.772  -1.352
  250   HD13  LEU  30          3HD1      LEU  30  11.939 -10.202   0.303
  251   HD21  LEU  30          1HD2      LEU  30   8.689  -8.491   0.048
  252   HD22  LEU  30          2HD2      LEU  30   9.291  -9.066   1.622
  253   HD23  LEU  30          3HD2      LEU  30  10.414  -8.317   0.459
  254    H    THR  31           H        THR  31   6.176 -12.959  -1.737
  255    HA   THR  31           HA       THR  31   5.325 -11.707  -4.174
  256    HB   THR  31           HB       THR  31   4.458 -13.968  -4.641
  257    HG1  THR  31          1HG       THR  31   3.594 -14.176  -2.396
  258   HG21  THR  31          1HG2      THR  31   7.049 -13.630  -4.478
  259   HG22  THR  31          2HG2      THR  31   6.915 -14.434  -2.896
  260   HG23  THR  31          3HG2      THR  31   6.438 -15.299  -4.376
  261    H    ILE  32           H        ILE  32   4.072 -11.989  -0.936
  262    HA   ILE  32           HA       ILE  32   1.605 -10.761  -1.905
  263    HB   ILE  32           HB       ILE  32   1.880 -13.319  -0.428
  264   HG12  ILE  32          1HG1      ILE  32  -0.550 -12.550  -1.959
  265   HG13  ILE  32          2HG1      ILE  32   0.939 -12.664  -2.875
  266   HG21  ILE  32          1HG2      ILE  32  -0.322 -11.327   0.174
  267   HG22  ILE  32          2HG2      ILE  32  -0.307 -13.036   0.666
  268   HG23  ILE  32          3HG2      ILE  32   0.920 -11.917   1.305
  269   HD11  ILE  32          1HD1      ILE  32   0.902 -14.927  -2.794
  270   HD12  ILE  32          2HD1      ILE  32   0.724 -14.912  -1.023
  271   HD13  ILE  32          3HD1      ILE  32  -0.717 -14.805  -2.063
  272    H    PRO  33           H        PRO  33   1.013  -8.683  -1.242
  273    HA   PRO  33           HA       PRO  33   3.138  -7.847   0.927
  274   1HB   PRO  33          1HB       PRO  33   0.878  -6.233   1.006
  275   2HB   PRO  33          2HB       PRO  33   2.088  -6.176  -0.225
  276   1HG   PRO  33          1HG       PRO  33  -0.607  -7.589  -0.244
  277   2HG   PRO  33          2HG       PRO  33   0.179  -6.715  -1.522
  278   1HD   PRO  33          1HD       PRO  33   0.264  -9.439  -1.467
  279   2HD   PRO  33          2HD       PRO  33   1.554  -8.494  -2.148
  280    H    VAL  34           H        VAL  34   2.857  -6.720   3.021
  281    HA   VAL  34           HA       VAL  34   1.306  -8.422   4.844
  282    HB   VAL  34           HB       VAL  34   4.022  -7.723   4.792
  283   HG11  VAL  34          1HG1      VAL  34   4.437  -6.457   6.775
  284   HG12  VAL  34          2HG1      VAL  34   3.266  -5.533   5.805
  285   HG13  VAL  34          3HG1      VAL  34   2.712  -6.463   7.218
  286   HG21  VAL  34          1HG2      VAL  34   4.139  -9.463   6.206
  287   HG22  VAL  34          2HG2      VAL  34   3.026  -8.708   7.373
  288   HG23  VAL  34          3HG2      VAL  34   2.380  -9.601   5.976
  289    H    LYS  35           H        LYS  35   1.941  -5.158   3.630
  290    HA   LYS  35           HA       LYS  35  -0.342  -4.247   5.200
  291    HB2  LYS  35          1HB       LYS  35   1.503  -3.552   6.561
  292    HB3  LYS  35          2HB       LYS  35   2.392  -2.948   5.179
  293    HG2  LYS  35          1HG       LYS  35   1.138  -1.006   5.036
  294    HG3  LYS  35          2HG       LYS  35  -0.343  -1.794   5.538
  295    HD2  LYS  35          1HD       LYS  35   1.437  -1.918   7.779
  296    HD3  LYS  35          2HD       LYS  35   1.551  -0.287   7.147
  297    HE2  LYS  35          1HE       LYS  35  -0.519   0.251   7.924
  298    HE3  LYS  35          2HE       LYS  35  -1.241  -1.161   7.179
  299    HZ1  LYS  35          1HZ       LYS  35  -0.436  -0.781   9.865
  300    HZ2  LYS  35          2HZ       LYS  35  -1.438  -1.906   9.233
  301    HZ3  LYS  35          3HZ       LYS  35   0.174  -2.165   9.248
  302    H    ARG  36           H        ARG  36  -1.519  -2.517   4.198
  303    HA   ARG  36           HA       ARG  36  -0.565  -1.772   1.579
  304    HB2  ARG  36          1HB       ARG  36  -3.199  -3.189   2.162
  305    HB3  ARG  36          2HB       ARG  36  -3.026  -2.167   0.750
  306    HG2  ARG  36          1HG       ARG  36  -0.740  -3.694   0.546
  307    HG3  ARG  36          2HG       ARG  36  -1.819  -4.838   1.319
  308    HD2  ARG  36          1HD       ARG  36  -3.493  -3.814  -0.614
  309    HD3  ARG  36          2HD       ARG  36  -1.947  -3.665  -1.428
  310    HE   ARG  36           HE       ARG  36  -2.118  -6.267  -0.225
  311   HH11  ARG  36          1HH1      ARG  36  -3.278  -7.918  -3.073
  312   HH12  ARG  36          2HH1      ARG  36  -2.552  -8.105  -1.512
  313   HH21  ARG  36          1HH2      ARG  36  -3.809  -5.799  -3.859
  314   HH22  ARG  36          2HH2      ARG  36  -3.480  -4.406  -2.883
  315    H    GLY  37           H        GLY  37  -0.580   0.455   1.672
  316    HA2  GLY  37          1HA       GLY  37  -3.020   1.801   2.520
  317    HA3  GLY  37          2HA       GLY  37  -1.589   2.117   3.480
  318    H    CYS  38           H        CYS  38  -1.807   4.389   2.736
  319    HA   CYS  38           HA       CYS  38  -0.690   4.682   0.042
  320    HB2  CYS  38          1HB       CYS  38  -2.794   6.371   1.417
  321    HB3  CYS  38          2HB       CYS  38  -1.871   6.951   0.045
  322    H    ILE  39           H        ILE  39   0.734   6.655  -0.161
  323    HA   ILE  39           HA       ILE  39   1.615   7.810   2.340
  324    HB   ILE  39           HB       ILE  39   2.878   5.693   2.132
  325   HG12  ILE  39          1HG1      ILE  39   4.948   7.785   1.739
  326   HG13  ILE  39          2HG1      ILE  39   3.737   8.128   2.958
  327   HG21  ILE  39          1HG2      ILE  39   4.166   5.109   0.353
  328   HG22  ILE  39          2HG2      ILE  39   2.931   6.058  -0.508
  329   HG23  ILE  39          3HG2      ILE  39   4.501   6.796  -0.110
  330   HD11  ILE  39          1HD1      ILE  39   4.297   6.224   4.251
  331   HD12  ILE  39          2HD1      ILE  39   5.088   5.412   2.879
  332   HD13  ILE  39          3HD1      ILE  39   5.877   6.801   3.667
  333    H    ASP  40           H        ASP  40   3.136   9.656   1.940
  334    HA   ASP  40           HA       ASP  40   2.184  11.080  -0.313
  335    HB2  ASP  40          1HB       ASP  40   4.042  12.750   0.618
  336    HB3  ASP  40          2HB       ASP  40   2.531  12.523   1.476
  337    H    VAL  41           H        VAL  41   5.341   9.725   0.859
  338    HA   VAL  41           HA       VAL  41   6.318   9.895  -1.903
  339    HB   VAL  41           HB       VAL  41   7.744  10.581   0.667
  340   HG11  VAL  41          1HG1      VAL  41   9.566   9.637  -0.255
  341   HG12  VAL  41          2HG1      VAL  41   8.817   9.533  -1.867
  342   HG13  VAL  41          3HG1      VAL  41   9.569  11.054  -1.332
  343   HG21  VAL  41          1HG2      VAL  41   6.445  12.406  -0.296
  344   HG22  VAL  41          2HG2      VAL  41   8.186  12.723  -0.490
  345   HG23  VAL  41          3HG2      VAL  41   7.225  12.157  -1.878
  346    H    CYS  42           H        CYS  42   7.651   8.136  -2.583
  347    HA   CYS  42           HA       CYS  42   6.930   5.687  -1.461
  348    HB2  CYS  42          1HB       CYS  42   7.644   6.167  -3.862
  349    HB3  CYS  42          2HB       CYS  42   9.301   6.160  -3.289
  350    H    PRO  43           H        PRO  43   7.207   4.743   0.626
  351    HA   PRO  43           HA       PRO  43   9.984   5.703   1.839
  352   1HB   PRO  43          1HB       PRO  43   8.751   3.036   2.319
  353   2HB   PRO  43          2HB       PRO  43   9.015   4.326   3.435
  354   1HG   PRO  43          1HG       PRO  43   6.519   3.869   2.512
  355   2HG   PRO  43          2HG       PRO  43   7.072   5.509   2.653
  356   1HD   PRO  43          1HD       PRO  43   7.034   3.829   0.127
  357   2HD   PRO  43          2HD       PRO  43   6.412   5.436   0.359
  358    H    LYS  44           H        LYS  44  11.639   4.085   2.797
  359    HA   LYS  44           HA       LYS  44  13.369   3.365   0.704
  360    HB2  LYS  44          1HB       LYS  44  13.394   2.840   3.685
  361    HB3  LYS  44          2HB       LYS  44  14.682   2.317   2.619
  362    HG2  LYS  44          1HG       LYS  44  15.183   4.596   1.949
  363    HG3  LYS  44          2HG       LYS  44  13.721   5.209   2.696
  364    HD2  LYS  44          1HD       LYS  44  14.963   3.924   4.833
  365    HD3  LYS  44          2HD       LYS  44  16.335   4.543   3.935
  366    HE2  LYS  44          1HE       LYS  44  15.643   6.800   4.165
  367    HE3  LYS  44          2HE       LYS  44  13.973   6.366   4.462
  368    HZ1  LYS  44          1HZ       LYS  44  15.752   5.279   6.392
  369    HZ2  LYS  44          2HZ       LYS  44  15.799   6.911   6.352
  370    HZ3  LYS  44          3HZ       LYS  44  14.383   6.141   6.611
  371    H    ASN  45           H        ASN  45  14.444   0.887   1.303
  372    HA   ASN  45           HA       ASN  45  12.279  -0.989   1.354
  373    HB2  ASN  45          1HB       ASN  45  14.104  -0.654  -1.083
  374    HB3  ASN  45          2HB       ASN  45  13.121  -2.079  -0.815
  375   HD21  ASN  45          1HD2      ASN  45  12.976   1.455  -1.050
  376   HD22  ASN  45          2HD2      ASN  45  11.401   1.571  -1.761
  377    H    SER  46           H        SER  46  13.044  -2.845   2.419
  378    HA   SER  46           HA       SER  46  15.947  -3.108   2.544
  379    HB2  SER  46          1HB       SER  46  15.559  -4.201   4.787
  380    HB3  SER  46          2HB       SER  46  15.124  -2.505   4.736
  381    HG   SER  46           HG       SER  46  13.206  -3.129   5.438
  382    H    LEU  47           H        LEU  47  16.336  -5.613   3.486
  383    HA   LEU  47           HA       LEU  47  15.287  -7.234   1.343
  384    HB2  LEU  47          1HB       LEU  47  17.237  -7.946   3.534
  385    HB3  LEU  47          2HB       LEU  47  16.906  -8.868   2.082
  386    HG   LEU  47           HG       LEU  47  17.677  -6.225   1.294
  387   HD11  LEU  47          1HD1      LEU  47  18.700  -6.379   3.688
  388   HD12  LEU  47          2HD1      LEU  47  19.881  -7.462   2.914
  389   HD13  LEU  47          3HD1      LEU  47  19.691  -5.791   2.332
  390   HD21  LEU  47          1HD2      LEU  47  17.879  -8.524   0.140
  391   HD22  LEU  47          2HD2      LEU  47  19.186  -7.338  -0.087
  392   HD23  LEU  47          3HD2      LEU  47  19.397  -8.686   1.057
  393    H    LEU  48           H        LEU  48  14.815  -6.693   4.812
  394    HA   LEU  48           HA       LEU  48  13.341  -9.141   5.138
  395    HB2  LEU  48          1HB       LEU  48  13.632  -6.781   6.999
  396    HB3  LEU  48          2HB       LEU  48  13.004  -8.366   7.409
  397    HG   LEU  48           HG       LEU  48  15.776  -8.210   6.297
  398   HD11  LEU  48          1HD1      LEU  48  15.277  -6.403   8.179
  399   HD12  LEU  48          2HD1      LEU  48  15.489  -7.818   9.239
  400   HD13  LEU  48          3HD1      LEU  48  16.796  -7.331   8.134
  401   HD21  LEU  48          1HD2      LEU  48  14.153 -10.042   7.978
  402   HD22  LEU  48          2HD2      LEU  48  15.360 -10.395   6.718
  403   HD23  LEU  48          3HD2      LEU  48  15.889  -9.933   8.353
  404    H    VAL  49           H        VAL  49  12.730  -5.692   4.468
  405    HA   VAL  49           HA       VAL  49   9.907  -6.406   4.116
  406    HB   VAL  49           HB       VAL  49  11.044  -4.595   6.011
  407   HG11  VAL  49          1HG1      VAL  49   9.155  -3.216   4.081
  408   HG12  VAL  49          2HG1      VAL  49   9.950  -2.521   5.514
  409   HG13  VAL  49          3HG1      VAL  49  10.919  -2.972   4.090
  410   HG21  VAL  49          1HG2      VAL  49   8.108  -4.907   5.358
  411   HG22  VAL  49          2HG2      VAL  49   9.041  -6.195   6.160
  412   HG23  VAL  49          3HG2      VAL  49   8.875  -4.601   6.936
  413    H    LYS  50           H        LYS  50   8.875  -5.428   2.321
  414    HA   LYS  50           HA       LYS  50  10.699  -3.919   0.582
  415    HB2  LYS  50          1HB       LYS  50  10.221  -6.388  -0.032
  416    HB3  LYS  50          2HB       LYS  50   8.615  -5.834  -0.463
  417    HG2  LYS  50          1HG       LYS  50   9.616  -5.466  -2.507
  418    HG3  LYS  50          2HG       LYS  50  10.046  -3.936  -1.767
  419    HD2  LYS  50          1HD       LYS  50  12.230  -4.959  -1.008
  420    HD3  LYS  50          2HD       LYS  50  11.802  -6.436  -1.848
  421    HE2  LYS  50          1HE       LYS  50  11.971  -3.718  -3.231
  422    HE3  LYS  50          2HE       LYS  50  13.315  -4.839  -3.155
  423    HZ1  LYS  50          1HZ       LYS  50  11.368  -6.409  -4.034
  424    HZ2  LYS  50          2HZ       LYS  50  10.916  -4.992  -4.711
  425    HZ3  LYS  50          3HZ       LYS  50  12.398  -5.607  -5.016
  426    H    TYR  51           H        TYR  51   9.634  -2.373  -0.867
  427    HA   TYR  51           HA       TYR  51   6.937  -1.651   0.046
  428    HB2  TYR  51          1HB       TYR  51   9.574  -0.144  -0.113
  429    HB3  TYR  51          2HB       TYR  51   8.128   0.760  -0.513
  430    HD1  TYR  51          1HD       TYR  51   9.545  -1.421   2.184
  431    HD2  TYR  51          2HD       TYR  51   6.895   1.787   1.189
  432    HE1  TYR  51          1HE       TYR  51   9.117  -0.999   4.654
  433    HE2  TYR  51          2HE       TYR  51   6.476   2.199   3.662
  434    HH   TYR  51           HH       TYR  51   7.901   0.071   6.110
  435    H    VAL  52           H        VAL  52   5.516  -1.292  -1.599
  436    HA   VAL  52           HA       VAL  52   6.685  -0.804  -4.250
  437    HB   VAL  52           HB       VAL  52   4.602  -2.751  -3.336
  438   HG11  VAL  52          1HG1      VAL  52   3.834  -2.988  -5.695
  439   HG12  VAL  52          2HG1      VAL  52   3.389  -1.428  -4.961
  440   HG13  VAL  52          3HG1      VAL  52   4.748  -1.517  -6.106
  441   HG21  VAL  52          1HG2      VAL  52   7.231  -2.833  -4.547
  442   HG22  VAL  52          2HG2      VAL  52   6.259  -4.152  -3.852
  443   HG23  VAL  52          3HG2      VAL  52   6.047  -3.694  -5.559
  444    H    CYS  53           H        CYS  53   6.315   1.345  -4.586
  445    HA   CYS  53           HA       CYS  53   3.751   2.402  -3.700
  446    HB2  CYS  53          1HB       CYS  53   6.016   4.048  -4.828
  447    HB3  CYS  53          2HB       CYS  53   4.703   4.557  -3.786
  448    H    CYS  54           H        CYS  54   2.300   3.390  -5.219
  449    HA   CYS  54           HA       CYS  54   3.081   3.286  -8.011
  450    HB2  CYS  54          1HB       CYS  54   0.811   2.200  -8.533
  451    HB3  CYS  54          2HB       CYS  54   2.098   1.164  -7.954
  452    H    ASN  55           H        ASN  55   2.036   4.938  -9.215
  453    HA   ASN  55           HA       ASN  55   0.598   6.810  -7.558
  454    HB2  ASN  55          1HB       ASN  55   0.975   8.397  -9.432
  455    HB3  ASN  55          2HB       ASN  55   2.483   7.624  -8.988
  456   HD21  ASN  55          1HD2      ASN  55   0.458   8.439 -11.479
  457   HD22  ASN  55          2HD2      ASN  55   1.044   7.397 -12.732
  458    H    THR  56           H        THR  56  -0.409   4.126  -8.870
  459    HA   THR  56           HA       THR  56  -2.518   5.218 -10.588
  460    HB   THR  56           HB       THR  56  -2.745   2.471 -10.657
  461    HG1  THR  56          1HG       THR  56  -0.328   1.920 -10.689
  462   HG21  THR  56          1HG2      THR  56  -2.111   2.833 -12.822
  463   HG22  THR  56          2HG2      THR  56  -1.678   4.500 -12.371
  464   HG23  THR  56          3HG2      THR  56  -0.452   3.212 -12.298
  465    H    ASP  57           H        ASP  57  -4.743   4.286 -10.312
  466    HA   ASP  57           HA       ASP  57  -5.412   4.614  -7.557
  467    HB2  ASP  57          1HB       ASP  57  -6.872   4.461 -10.179
  468    HB3  ASP  57          2HB       ASP  57  -7.785   4.012  -8.752
  469    H    ARG  58           H        ARG  58  -6.239   2.946  -6.185
  470    HA   ARG  58           HA       ARG  58  -6.379   0.923  -5.415
  471    HB2  ARG  58          1HB       ARG  58  -7.856   0.615  -8.065
  472    HB3  ARG  58          2HB       ARG  58  -7.794  -0.697  -6.904
  473    HG2  ARG  58          1HG       ARG  58  -9.170   0.388  -5.383
  474    HG3  ARG  58          2HG       ARG  58  -8.567   1.979  -5.801
  475    HD2  ARG  58          1HD       ARG  58  -9.819   1.188  -8.168
  476    HD3  ARG  58          2HD       ARG  58 -10.852   0.473  -6.946
  477    HE   ARG  58           HE       ARG  58 -10.154   3.246  -6.339
  478   HH11  ARG  58          1HH1      ARG  58 -13.310   4.449  -7.219
  479   HH12  ARG  58          2HH1      ARG  58 -11.813   4.814  -6.427
  480   HH21  ARG  58          1HH2      ARG  58 -13.629   2.366  -8.192
  481   HH22  ARG  58          2HH2      ARG  58 -12.371   1.177  -8.125
  482    H    CYS  59           H        CYS  59  -3.987   1.575  -7.184
  483    HA   CYS  59           HA       CYS  59  -3.346  -0.653  -8.733
  484    HB2  CYS  59          1HB       CYS  59  -0.976   0.211  -8.495
  485    HB3  CYS  59          2HB       CYS  59  -2.144   1.342  -9.149
  486    H    ASN  60           H        ASN  60  -2.713   0.277  -5.294
  487    HA   ASN  60           HA       ASN  60  -1.279  -2.130  -4.820
  488    HB2  ASN  60          1HB       ASN  60  -1.001  -1.287  -2.575
  489    HB3  ASN  60          2HB       ASN  60  -0.939   0.126  -3.611
  490   HD21  ASN  60          1HD2      ASN  60  -1.849  -0.564  -0.755
  491   HD22  ASN  60          2HD2      ASN  60  -3.373   0.238  -0.574
  492    H1   HOH 101          1H        HOH  61   4.680 -10.857   2.726
  493    H2   HOH 101          2H        HOH  61   3.812  -9.620   2.650
  Start of MODEL   16
    1    H1   LEU   1           H        LEU   1  -5.539  10.256  -4.316
    2    HA   LEU   1           HA       LEU   1  -7.024   8.532  -6.050
    3    HB2  LEU   1          1HB       LEU   1  -4.295   9.024  -5.359
    4    HB3  LEU   1          2HB       LEU   1  -4.626   7.318  -5.129
    5    HG   LEU   1           HG       LEU   1  -5.469   7.171  -7.451
    6   HD11  LEU   1          1HD1      LEU   1  -5.098  10.106  -7.329
    7   HD12  LEU   1          2HD1      LEU   1  -4.582   9.311  -8.837
    8   HD13  LEU   1          3HD1      LEU   1  -6.255   9.124  -8.259
    9   HD21  LEU   1          1HD2      LEU   1  -2.721   7.745  -6.649
   10   HD22  LEU   1          2HD2      LEU   1  -3.370   6.462  -7.698
   11   HD23  LEU   1          3HD2      LEU   1  -3.023   8.072  -8.373
   12    H    LYS   2           H        LYS   2  -6.872   6.030  -5.507
   13    HA   LYS   2           HA       LYS   2  -7.708   5.721  -2.708
   14    HB2  LYS   2          1HB       LYS   2  -8.973   4.596  -5.217
   15    HB3  LYS   2          2HB       LYS   2  -9.286   3.945  -3.619
   16    HG2  LYS   2          1HG       LYS   2 -10.970   5.507  -3.599
   17    HG3  LYS   2          2HG       LYS   2  -9.690   6.590  -3.094
   18    HD2  LYS   2          1HD       LYS   2  -9.291   6.921  -5.691
   19    HD3  LYS   2          2HD       LYS   2 -10.910   6.268  -5.851
   20    HE2  LYS   2          1HE       LYS   2 -11.767   8.306  -5.354
   21    HE3  LYS   2          2HE       LYS   2 -11.053   8.206  -3.756
   22    HZ1  LYS   2          1HZ       LYS   2  -9.203   9.344  -4.446
   23    HZ2  LYS   2          2HZ       LYS   2  -9.410   9.003  -6.030
   24    HZ3  LYS   2          3HZ       LYS   2 -10.376  10.097  -5.296
   25    H    CYS   3           H        CYS   3  -7.104   3.757  -1.672
   26    HA   CYS   3           HA       CYS   3  -5.278   2.091  -3.229
   27    HB2  CYS   3          1HB       CYS   3  -4.606   2.834  -0.384
   28    HB3  CYS   3          2HB       CYS   3  -3.572   2.138  -1.615
   29    H    ASN   4           H        ASN   4  -5.253  -0.140  -2.504
   30    HA   ASN   4           HA       ASN   4  -7.669  -0.823  -1.130
   31    HB2  ASN   4          1HB       ASN   4  -5.539  -2.796  -2.052
   32    HB3  ASN   4          2HB       ASN   4  -7.267  -3.058  -1.922
   33   HD21  ASN   4          1HD2      ASN   4  -5.675  -3.591  -4.187
   34   HD22  ASN   4          2HD2      ASN   4  -6.202  -2.594  -5.502
   35    H    LYS   5           H        LYS   5  -7.564  -2.525   0.684
   36    HA   LYS   5           HA       LYS   5  -5.368  -1.851   2.465
   37    HB2  LYS   5          1HB       LYS   5  -7.988  -3.295   2.968
   38    HB3  LYS   5          2HB       LYS   5  -6.799  -2.900   4.193
   39    HG2  LYS   5          1HG       LYS   5  -8.434  -0.964   2.502
   40    HG3  LYS   5          2HG       LYS   5  -8.475  -1.156   4.244
   41    HD2  LYS   5          1HD       LYS   5  -6.199  -0.008   2.569
   42    HD3  LYS   5          2HD       LYS   5  -7.181   0.843   3.744
   43    HE2  LYS   5          1HE       LYS   5  -6.203  -1.197   5.312
   44    HE3  LYS   5          2HE       LYS   5  -4.876  -1.008   4.183
   45    HZ1  LYS   5          1HZ       LYS   5  -5.067   1.432   4.692
   46    HZ2  LYS   5          2HZ       LYS   5  -6.016   1.021   5.955
   47    HZ3  LYS   5          3HZ       LYS   5  -4.475   0.489   5.887
   48    H    LEU   6           H        LEU   6  -5.112  -4.057   4.066
   49    HA   LEU   6           HA       LEU   6  -3.305  -5.608   2.788
   50    HB2  LEU   6          1HB       LEU   6  -3.879  -5.421   5.257
   51    HB3  LEU   6          2HB       LEU   6  -5.118  -6.629   4.972
   52    HG   LEU   6           HG       LEU   6  -3.542  -8.313   4.478
   53   HD11  LEU   6          1HD1      LEU   6  -2.011  -7.438   2.989
   54   HD12  LEU   6          2HD1      LEU   6  -1.627  -6.045   4.030
   55   HD13  LEU   6          3HD1      LEU   6  -1.016  -7.664   4.449
   56   HD21  LEU   6          1HD2      LEU   6  -3.728  -7.471   6.900
   57   HD22  LEU   6          2HD2      LEU   6  -2.371  -8.546   6.486
   58   HD23  LEU   6          3HD2      LEU   6  -2.101  -6.794   6.646
   59    H    VAL   7           H        VAL   7  -6.857  -6.220   3.097
   60    HA   VAL   7           HA       VAL   7  -6.527  -8.354   1.113
   61    HB   VAL   7           HB       VAL   7  -8.412  -7.846   3.373
   62   HG11  VAL   7          1HG1      VAL   7  -9.925  -9.634   2.395
   63   HG12  VAL   7          2HG1      VAL   7 -10.003  -8.037   1.613
   64   HG13  VAL   7          3HG1      VAL   7  -9.100  -9.363   0.841
   65   HG21  VAL   7          1HG2      VAL   7  -6.393  -9.776   2.653
   66   HG22  VAL   7          2HG2      VAL   7  -7.262  -9.572   4.193
   67   HG23  VAL   7          3HG2      VAL   7  -7.952 -10.598   2.912
   68    H    PRO   8           H        PRO   8  -6.575  -8.012  -1.121
   69    HA   PRO   8           HA       PRO   8  -7.820  -5.233  -1.699
   70   1HB   PRO   8          1HB       PRO   8  -8.165  -7.644  -3.452
   71   2HB   PRO   8          2HB       PRO   8  -7.367  -6.155  -3.810
   72   1HG   PRO   8          1HG       PRO   8  -5.874  -8.301  -3.189
   73   2HG   PRO   8          2HG       PRO   8  -5.451  -6.775  -2.477
   74   1HD   PRO   8          1HD       PRO   8  -7.012  -9.012  -1.165
   75   2HD   PRO   8          2HD       PRO   8  -5.684  -8.096  -0.519
   76    H    ILE   9           H        ILE   9 -10.016  -7.342  -0.263
   77    HA   ILE   9           HA       ILE   9 -12.214  -6.721  -2.030
   78    HB   ILE   9           HB       ILE   9 -11.588  -8.728  -0.139
   79   HG12  ILE   9          1HG1      ILE   9 -12.560  -9.091  -2.347
   80   HG13  ILE   9          2HG1      ILE   9 -13.542  -9.832  -1.097
   81   HG21  ILE   9          1HG2      ILE   9 -14.190  -7.337   0.553
   82   HG22  ILE   9          2HG2      ILE   9 -13.521  -8.814   1.287
   83   HG23  ILE   9          3HG2      ILE   9 -12.703  -7.251   1.527
   84   HD11  ILE   9          1HD1      ILE   9 -14.087  -7.174  -2.492
   85   HD12  ILE   9          2HD1      ILE   9 -15.018  -8.683  -2.661
   86   HD13  ILE   9          3HD1      ILE   9 -15.037  -7.792  -1.120
   87    H    ALA  10           H        ALA  10 -10.453  -4.887   0.024
   88    HA   ALA  10           HA       ALA  10 -12.669  -3.106   0.468
   89    HB1  ALA  10          1HB       ALA  10 -11.069  -3.774   2.923
   90    HB2  ALA  10          2HB       ALA  10 -12.728  -3.143   2.781
   91    HB3  ALA  10          3HB       ALA  10 -12.399  -4.860   2.449
   92    H    TYR  11           H        TYR  11 -11.955  -1.053   0.106
   93    HA   TYR  11           HA       TYR  11  -9.103  -0.535   0.555
   94    HB2  TYR  11          1HB       TYR  11  -9.018   0.479  -1.669
   95    HB3  TYR  11          2HB       TYR  11  -9.834  -1.055  -1.898
   96    HD1  TYR  11          1HD       TYR  11  -9.991   2.430  -2.499
   97    HD2  TYR  11          2HD       TYR  11 -12.471  -0.977  -1.758
   98    HE1  TYR  11          1HE       TYR  11 -11.971   3.634  -3.545
   99    HE2  TYR  11          2HE       TYR  11 -14.443   0.240  -2.806
  100    HH   TYR  11           HH       TYR  11 -14.356   2.459  -4.760
  101    H    LYS  12           H        LYS  12  -8.629   1.882   0.561
  102    HA   LYS  12           HA       LYS  12 -10.981   3.427   1.355
  103    HB2  LYS  12          1HB       LYS  12  -8.431   3.161   2.975
  104    HB3  LYS  12          2HB       LYS  12  -9.684   4.350   3.276
  105    HG2  LYS  12          1HG       LYS  12 -11.348   2.409   3.468
  106    HG3  LYS  12          2HG       LYS  12  -9.979   1.315   3.401
  107    HD2  LYS  12          1HD       LYS  12  -9.274   1.833   5.534
  108    HD3  LYS  12          2HD       LYS  12  -9.696   3.528   5.378
  109    HE2  LYS  12          1HE       LYS  12 -12.121   1.909   5.310
  110    HE3  LYS  12          2HE       LYS  12 -11.173   1.485   6.722
  111    HZ1  LYS  12          1HZ       LYS  12 -11.040   4.177   6.641
  112    HZ2  LYS  12          2HZ       LYS  12 -12.576   3.883   6.169
  113    HZ3  LYS  12          3HZ       LYS  12 -12.036   3.305   7.597
  114    H    THR  13           H        THR  13 -10.066   5.866   1.742
  115    HA   THR  13           HA       THR  13  -8.783   6.488  -0.799
  116    HB   THR  13           HB       THR  13  -9.844   8.512   1.193
  117    HG1  THR  13          1HG       THR  13 -11.711   7.321   1.097
  118   HG21  THR  13          1HG2      THR  13  -9.940   9.838  -0.669
  119   HG22  THR  13          2HG2      THR  13  -9.053   8.564  -1.541
  120   HG23  THR  13          3HG2      THR  13 -10.833   8.585  -1.564
  121    H    CYS  14           H        CYS  14  -6.823   7.485  -1.063
  122    HA   CYS  14           HA       CYS  14  -4.950   7.069   0.967
  123    HB2  CYS  14          1HB       CYS  14  -4.700   8.812  -1.508
  124    HB3  CYS  14          2HB       CYS  14  -3.375   8.229  -0.520
  125    H    PRO  15           H        PRO  15  -4.829   7.851   3.145
  126    HA   PRO  15           HA       PRO  15  -6.670  10.391   3.271
  127   1HB   PRO  15          1HB       PRO  15  -4.885  10.297   5.402
  128   2HB   PRO  15          2HB       PRO  15  -6.270   9.280   5.228
  129   1HG   PRO  15          1HG       PRO  15  -3.359   8.701   4.536
  130   2HG   PRO  15          2HG       PRO  15  -4.534   7.662   5.280
  131   1HD   PRO  15          1HD       PRO  15  -3.988   7.378   2.645
  132   2HD   PRO  15          2HD       PRO  15  -5.587   7.091   3.265
  133    H    GLU  16           H        GLU  16  -5.891  12.362   4.789
  134    HA   GLU  16           HA       GLU  16  -4.959  14.253   3.037
  135    HB2  GLU  16          1HB       GLU  16  -5.014  14.248   6.086
  136    HB3  GLU  16          2HB       GLU  16  -4.677  15.677   5.129
  137    HG2  GLU  16          1HG       GLU  16  -7.154  14.108   4.435
  138    HG3  GLU  16          2HG       GLU  16  -7.180  15.032   5.925
  139    H    GLY  17           H        GLY  17  -2.947  14.770   2.283
  140    HA2  GLY  17          1HA       GLY  17  -0.685  15.280   2.623
  141    HA3  GLY  17          2HA       GLY  17  -0.624  14.170   3.977
  142    H    LYS  18           H        LYS  18  -2.010  11.926   2.708
  143    HA   LYS  18           HA       LYS  18   0.148  11.113   0.904
  144    HB2  LYS  18          1HB       LYS  18  -1.813   9.374   2.429
  145    HB3  LYS  18          2HB       LYS  18  -0.416   8.837   1.520
  146    HG2  LYS  18          1HG       LYS  18   1.120   9.698   3.095
  147    HG3  LYS  18          2HG       LYS  18  -0.019  10.875   3.719
  148    HD2  LYS  18          1HD       LYS  18  -1.385   8.641   4.393
  149    HD3  LYS  18          2HD       LYS  18   0.221   7.940   4.352
  150    HE2  LYS  18          1HE       LYS  18  -0.363  10.507   5.886
  151    HE3  LYS  18          2HE       LYS  18  -0.589   8.929   6.613
  152    HZ1  LYS  18          1HZ       LYS  18   1.644   8.488   6.497
  153    HZ2  LYS  18          2HZ       LYS  18   1.940   9.571   5.311
  154    HZ3  LYS  18          3HZ       LYS  18   1.654  10.086   6.834
  155    H    ASN  19           H        ASN  19  -0.273  10.331  -1.169
  156    HA   ASN  19           HA       ASN  19  -3.074  10.357  -1.940
  157    HB2  ASN  19          1HB       ASN  19  -2.163  12.505  -2.708
  158    HB3  ASN  19          2HB       ASN  19  -0.745  11.723  -3.380
  159   HD21  ASN  19          1HD2      ASN  19  -0.819  11.853  -5.486
  160   HD22  ASN  19          2HD2      ASN  19  -2.170  11.509  -6.514
  161    H    LEU  20           H        LEU  20   0.343   9.388  -2.448
  162    HA   LEU  20           HA       LEU  20  -0.284   7.584  -4.585
  163    HB2  LEU  20          1HB       LEU  20   2.194   8.184  -2.982
  164    HB3  LEU  20          2HB       LEU  20   2.134   6.885  -4.156
  165    HG   LEU  20           HG       LEU  20   1.144   9.312  -5.362
  166   HD11  LEU  20          1HD1      LEU  20   3.215   9.766  -3.442
  167   HD12  LEU  20          2HD1      LEU  20   3.880  10.004  -5.076
  168   HD13  LEU  20          3HD1      LEU  20   2.443  10.916  -4.558
  169   HD21  LEU  20          1HD2      LEU  20   3.724   7.869  -5.980
  170   HD22  LEU  20          2HD2      LEU  20   2.129   7.213  -6.416
  171   HD23  LEU  20          3HD2      LEU  20   2.659   8.775  -7.081
  172    H    CYS  21           H        CYS  21  -0.051   5.240  -4.478
  173    HA   CYS  21           HA       CYS  21  -0.884   4.279  -1.851
  174    HB2  CYS  21          1HB       CYS  21  -1.174   2.916  -4.547
  175    HB3  CYS  21          2HB       CYS  21  -1.827   2.354  -3.021
  176    H    TYR  22           H        TYR  22   0.283   2.577  -0.834
  177    HA   TYR  22           HA       TYR  22   2.684   1.660  -2.254
  178    HB2  TYR  22          1HB       TYR  22   3.987   2.247  -0.311
  179    HB3  TYR  22          2HB       TYR  22   2.883   3.601  -0.449
  180    HD1  TYR  22          1HD       TYR  22   3.095   0.234   1.200
  181    HD2  TYR  22          2HD       TYR  22   1.710   4.274   1.443
  182    HE1  TYR  22          1HE       TYR  22   2.281  -0.180   3.572
  183    HE2  TYR  22          2HE       TYR  22   0.900   3.847   3.814
  184    HH   TYR  22           HH       TYR  22   1.896   1.636   5.685
  185    H    LYS  23           H        LYS  23   3.456  -0.438  -1.616
  186    HA   LYS  23           HA       LYS  23   1.632  -1.905   0.142
  187    HB2  LYS  23          1HB       LYS  23   1.678  -2.162  -2.656
  188    HB3  LYS  23          2HB       LYS  23   2.572  -3.545  -2.060
  189    HG2  LYS  23          1HG       LYS  23   0.710  -4.158  -0.556
  190    HG3  LYS  23          2HG       LYS  23  -0.171  -2.712  -1.006
  191    HD2  LYS  23          1HD       LYS  23  -0.933  -4.810  -2.213
  192    HD3  LYS  23          2HD       LYS  23  -0.486  -3.492  -3.277
  193    HE2  LYS  23          1HE       LYS  23   1.716  -5.388  -2.525
  194    HE3  LYS  23          2HE       LYS  23   0.464  -6.032  -3.569
  195    HZ1  LYS  23          1HZ       LYS  23   1.368  -4.939  -5.229
  196    HZ2  LYS  23          2HZ       LYS  23   1.155  -3.502  -4.483
  197    HZ3  LYS  23          3HZ       LYS  23   2.537  -4.343  -4.258
  198    H    MET  24           H        MET  24   2.766  -2.735   1.803
  199    HA   MET  24           HA       MET  24   5.613  -3.106   1.363
  200    HB2  MET  24          1HB       MET  24   3.819  -2.590   3.752
  201    HB3  MET  24          2HB       MET  24   5.331  -3.425   4.041
  202    HG2  MET  24          1HG       MET  24   6.619  -1.558   3.570
  203    HG3  MET  24          2HG       MET  24   5.539  -0.995   2.310
  204    HE1  MET  24          1HE       MET  24   6.179  -0.987   6.289
  205    HE2  MET  24          2HE       MET  24   4.491  -0.706   6.782
  206    HE3  MET  24          3HE       MET  24   4.921  -2.177   5.876
  207    H    PHE  25           H        PHE  25   6.684  -5.085   1.951
  208    HA   PHE  25           HA       PHE  25   4.856  -7.323   2.453
  209    HB2  PHE  25          1HB       PHE  25   7.199  -6.981   0.497
  210    HB3  PHE  25          2HB       PHE  25   6.584  -8.566   0.917
  211    HD1  PHE  25          1HD       PHE  25   5.463  -5.293  -0.460
  212    HD2  PHE  25          2HD       PHE  25   4.843  -9.489  -0.316
  213    HE1  PHE  25          1HE       PHE  25   3.727  -5.099  -2.264
  214    HE2  PHE  25          2HE       PHE  25   3.109  -9.295  -2.120
  215    HZ   PHE  25           HZ       PHE  25   2.571  -7.102  -3.072
  216    H    MET  26           H        MET  26   6.370  -9.394   2.961
  217    HA   MET  26           HA       MET  26   8.575  -8.490   4.621
  218    HB2  MET  26          1HB       MET  26   6.246 -10.303   5.456
  219    HB3  MET  26          2HB       MET  26   7.721 -10.161   6.393
  220    HG2  MET  26          1HG       MET  26   7.330  -7.684   6.605
  221    HG3  MET  26          2HG       MET  26   5.837  -7.852   5.704
  222    HE1  MET  26          1HE       MET  26   7.925  -8.512   8.550
  223    HE2  MET  26          2HE       MET  26   6.794  -7.640   9.614
  224    HE3  MET  26          3HE       MET  26   6.983  -9.401   9.772
  225    H    MET  27           H        MET  27   9.996 -10.389   5.340
  226    HA   MET  27           HA       MET  27  10.759 -11.829   3.141
  227    HB2  MET  27          1HB       MET  27  11.253 -11.961   6.124
  228    HB3  MET  27          2HB       MET  27  11.813 -13.317   5.165
  229    HG2  MET  27          1HG       MET  27  12.477 -10.590   4.100
  230    HG3  MET  27          2HG       MET  27  13.299 -11.062   5.575
  231    HE1  MET  27          1HE       MET  27  13.880 -12.667   1.375
  232    HE2  MET  27          2HE       MET  27  12.374 -11.947   1.994
  233    HE3  MET  27          3HE       MET  27  13.859 -10.969   1.907
  234    H    SER  28           H        SER  28   8.042 -12.337   5.187
  235    HA   SER  28           HA       SER  28   7.967 -15.110   5.231
  236    HB2  SER  28          1HB       SER  28   6.502 -14.026   6.726
  237    HB3  SER  28          2HB       SER  28   5.917 -12.909   5.510
  238    HG   SER  28           HG       SER  28   5.379 -15.756   5.520
  239    H    ASP  29           H        ASP  29   6.525 -12.669   2.965
  240    HA   ASP  29           HA       ASP  29   6.776 -14.495   0.829
  241    HB2  ASP  29          1HB       ASP  29   4.235 -14.284   0.273
  242    HB3  ASP  29          2HB       ASP  29   4.727 -15.478   1.458
  243    H    LEU  30           H        LEU  30   7.828 -12.812  -0.329
  244    HA   LEU  30           HA       LEU  30   6.858 -10.142  -0.262
  245    HB2  LEU  30          1HB       LEU  30   8.921 -11.536  -1.968
  246    HB3  LEU  30          2HB       LEU  30   8.580  -9.820  -2.053
  247    HG   LEU  30           HG       LEU  30   9.343 -11.079   0.573
  248   HD11  LEU  30          1HD1      LEU  30  11.048 -11.832  -0.991
  249   HD12  LEU  30          2HD1      LEU  30  11.281 -10.164  -1.570
  250   HD13  LEU  30          3HD1      LEU  30  11.704 -10.592   0.106
  251   HD21  LEU  30          1HD2      LEU  30   8.508  -8.579  -0.003
  252   HD22  LEU  30          2HD2      LEU  30   9.629  -8.969   1.325
  253   HD23  LEU  30          3HD2      LEU  30  10.262  -8.379  -0.231
  254    H    THR  31           H        THR  31   5.910 -13.011  -1.914
  255    HA   THR  31           HA       THR  31   5.021 -11.756  -4.323
  256    HB   THR  31           HB       THR  31   5.626 -14.126  -4.303
  257    HG1  THR  31          1HG       THR  31   3.606 -13.258  -5.442
  258   HG21  THR  31          1HG2      THR  31   5.206 -15.323  -2.391
  259   HG22  THR  31          2HG2      THR  31   4.020 -14.124  -1.821
  260   HG23  THR  31          3HG2      THR  31   3.517 -15.406  -2.951
  261    H    ILE  32           H        ILE  32   3.807 -12.000  -1.060
  262    HA   ILE  32           HA       ILE  32   1.370 -10.686  -1.993
  263    HB   ILE  32           HB       ILE  32   1.580 -13.246  -0.501
  264   HG12  ILE  32          1HG1      ILE  32   0.849 -13.265  -2.810
  265   HG13  ILE  32          2HG1      ILE  32  -0.471 -13.740  -1.759
  266   HG21  ILE  32          1HG2      ILE  32  -0.455 -11.097   0.128
  267   HG22  ILE  32          2HG2      ILE  32  -0.708 -12.824   0.478
  268   HG23  ILE  32          3HG2      ILE  32   0.636 -11.949   1.248
  269   HD11  ILE  32          1HD1      ILE  32  -0.114 -11.196  -3.332
  270   HD12  ILE  32          2HD1      ILE  32  -1.566 -12.206  -3.128
  271   HD13  ILE  32          3HD1      ILE  32  -1.039 -11.128  -1.813
  272    H    PRO  33           H        PRO  33   0.827  -8.604  -1.308
  273    HA   PRO  33           HA       PRO  33   2.946  -7.855   0.923
  274   1HB   PRO  33          1HB       PRO  33   0.756  -6.160   0.956
  275   2HB   PRO  33          2HB       PRO  33   1.987  -6.144  -0.256
  276   1HG   PRO  33          1HG       PRO  33  -0.764  -7.446  -0.326
  277   2HG   PRO  33          2HG       PRO  33   0.074  -6.594  -1.582
  278   1HD   PRO  33          1HD       PRO  33   0.051  -9.329  -1.531
  279   2HD   PRO  33          2HD       PRO  33   1.369  -8.425  -2.218
  280    H    VAL  34           H        VAL  34   2.729  -6.860   3.046
  281    HA   VAL  34           HA       VAL  34   0.997  -8.487   4.767
  282    HB   VAL  34           HB       VAL  34   3.771  -7.818   4.828
  283   HG11  VAL  34          1HG1      VAL  34   3.227  -5.832   6.097
  284   HG12  VAL  34          2HG1      VAL  34   2.179  -6.766   7.189
  285   HG13  VAL  34          3HG1      VAL  34   3.937  -7.040   7.194
  286   HG21  VAL  34          1HG2      VAL  34   3.902  -9.663   6.170
  287   HG22  VAL  34          2HG2      VAL  34   2.461  -9.221   7.115
  288   HG23  VAL  34          3HG2      VAL  34   2.278  -9.934   5.495
  289    H    LYS  35           H        LYS  35   1.979  -5.208   3.775
  290    HA   LYS  35           HA       LYS  35  -0.279  -4.201   5.346
  291    HB2  LYS  35          1HB       LYS  35   2.375  -2.764   5.085
  292    HB3  LYS  35          2HB       LYS  35   0.980  -2.256   6.017
  293    HG2  LYS  35          1HG       LYS  35   1.614  -4.942   6.835
  294    HG3  LYS  35          2HG       LYS  35   3.118  -4.042   6.804
  295    HD2  LYS  35          1HD       LYS  35   2.526  -3.205   8.834
  296    HD3  LYS  35          2HD       LYS  35   1.342  -2.232   7.989
  297    HE2  LYS  35          1HE       LYS  35   0.128  -3.414   9.699
  298    HE3  LYS  35          2HE       LYS  35  -0.290  -4.193   8.188
  299    HZ1  LYS  35          1HZ       LYS  35   1.854  -5.571   8.924
  300    HZ2  LYS  35          2HZ       LYS  35   1.228  -5.211  10.388
  301    HZ3  LYS  35          3HZ       LYS  35   0.324  -6.010   9.286
  302    H    ARG  36           H        ARG  36  -1.416  -2.434   4.380
  303    HA   ARG  36           HA       ARG  36  -0.508  -1.700   1.745
  304    HB2  ARG  36          1HB       ARG  36  -3.161  -3.053   2.379
  305    HB3  ARG  36          2HB       ARG  36  -3.007  -2.008   0.980
  306    HG2  ARG  36          1HG       ARG  36  -0.772  -3.579   0.662
  307    HG3  ARG  36          2HG       ARG  36  -1.834  -4.715   1.469
  308    HD2  ARG  36          1HD       ARG  36  -3.582  -3.660  -0.370
  309    HD3  ARG  36          2HD       ARG  36  -2.078  -3.495  -1.254
  310    HE   ARG  36           HE       ARG  36  -2.137  -6.113  -0.124
  311   HH11  ARG  36          1HH1      ARG  36  -3.595  -7.727  -2.853
  312   HH12  ARG  36          2HH1      ARG  36  -2.692  -7.934  -1.389
  313   HH21  ARG  36          1HH2      ARG  36  -4.241  -5.602  -3.529
  314   HH22  ARG  36          2HH2      ARG  36  -3.820  -4.224  -2.569
  315    H    GLY  37           H        GLY  37  -0.781   0.506   1.456
  316    HA2  GLY  37          1HA       GLY  37  -3.046   1.908   2.493
  317    HA3  GLY  37          2HA       GLY  37  -1.605   2.206   3.446
  318    H    CYS  38           H        CYS  38  -1.861   4.484   2.662
  319    HA   CYS  38           HA       CYS  38  -0.685   4.740  -0.010
  320    HB2  CYS  38          1HB       CYS  38  -2.783   6.513   1.280
  321    HB3  CYS  38          2HB       CYS  38  -1.901   6.936  -0.175
  322    H    ILE  39           H        ILE  39   0.733   6.709  -0.217
  323    HA   ILE  39           HA       ILE  39   1.530   7.927   2.285
  324    HB   ILE  39           HB       ILE  39   2.820   5.804   2.106
  325   HG12  ILE  39          1HG1      ILE  39   4.867   7.935   1.840
  326   HG13  ILE  39          2HG1      ILE  39   3.594   8.247   3.003
  327   HG21  ILE  39          1HG2      ILE  39   3.125   6.583  -0.582
  328   HG22  ILE  39          2HG2      ILE  39   4.741   6.706   0.156
  329   HG23  ILE  39          3HG2      ILE  39   3.838   5.173   0.240
  330   HD11  ILE  39          1HD1      ILE  39   5.554   7.040   4.006
  331   HD12  ILE  39          2HD1      ILE  39   4.035   6.120   4.150
  332   HD13  ILE  39          3HD1      ILE  39   5.235   5.673   2.910
  333    H    ASP  40           H        ASP  40   3.215   9.701   1.824
  334    HA   ASP  40           HA       ASP  40   2.283  11.047  -0.534
  335    HB2  ASP  40          1HB       ASP  40   3.661  12.963   0.436
  336    HB3  ASP  40          2HB       ASP  40   2.346  12.400   1.448
  337    H    VAL  41           H        VAL  41   5.279   9.714   0.969
  338    HA   VAL  41           HA       VAL  41   6.610  10.030  -1.629
  339    HB   VAL  41           HB       VAL  41   7.714  10.517   1.141
  340   HG11  VAL  41          1HG1      VAL  41   9.081   9.357  -1.020
  341   HG12  VAL  41          2HG1      VAL  41   9.573  11.067  -1.020
  342   HG13  VAL  41          3HG1      VAL  41   9.789  10.078   0.445
  343   HG21  VAL  41          1HG2      VAL  41   7.441  12.302  -1.302
  344   HG22  VAL  41          2HG2      VAL  41   6.522  12.425   0.219
  345   HG23  VAL  41          3HG2      VAL  41   8.273  12.748   0.208
  346    H    CYS  42           H        CYS  42   7.765   8.236  -2.353
  347    HA   CYS  42           HA       CYS  42   6.990   5.772  -1.306
  348    HB2  CYS  42          1HB       CYS  42   7.730   6.328  -3.692
  349    HB3  CYS  42          2HB       CYS  42   9.380   6.225  -3.108
  350    H    PRO  43           H        PRO  43   7.269   4.705   0.728
  351    HA   PRO  43           HA       PRO  43  10.092   5.511   1.949
  352   1HB   PRO  43          1HB       PRO  43   8.806   2.843   2.258
  353   2HB   PRO  43          2HB       PRO  43   9.121   4.043   3.460
  354   1HG   PRO  43          1HG       PRO  43   6.599   3.705   2.557
  355   2HG   PRO  43          2HG       PRO  43   7.188   5.318   2.806
  356   1HD   PRO  43          1HD       PRO  43   7.069   3.832   0.164
  357   2HD   PRO  43          2HD       PRO  43   6.486   5.430   0.527
  358    H    LYS  44           H        LYS  44  11.739   3.812   2.744
  359    HA   LYS  44           HA       LYS  44  13.351   3.150   0.515
  360    HB2  LYS  44          1HB       LYS  44  13.692   2.325   3.412
  361    HB3  LYS  44          2HB       LYS  44  14.929   2.351   2.172
  362    HG2  LYS  44          1HG       LYS  44  13.442   4.919   2.596
  363    HG3  LYS  44          2HG       LYS  44  14.496   4.418   3.904
  364    HD2  LYS  44          1HD       LYS  44  16.376   4.926   2.721
  365    HD3  LYS  44          2HD       LYS  44  15.809   4.071   1.300
  366    HE2  LYS  44          1HE       LYS  44  14.173   6.403   1.507
  367    HE3  LYS  44          2HE       LYS  44  15.809   6.939   1.833
  368    HZ1  LYS  44          1HZ       LYS  44  16.072   5.250  -0.261
  369    HZ2  LYS  44          2HZ       LYS  44  14.684   6.041  -0.601
  370    HZ3  LYS  44          3HZ       LYS  44  16.060   6.881  -0.345
  371    H    ASN  45           H        ASN  45  14.458   0.644   1.177
  372    HA   ASN  45           HA       ASN  45  12.256  -1.193   1.255
  373    HB2  ASN  45          1HB       ASN  45  14.100  -0.903  -1.167
  374    HB3  ASN  45          2HB       ASN  45  13.153  -2.349  -0.875
  375   HD21  ASN  45          1HD2      ASN  45  13.030   1.112  -1.463
  376   HD22  ASN  45          2HD2      ASN  45  11.417   1.194  -2.090
  377    H    SER  46           H        SER  46  12.976  -2.953   2.479
  378    HA   SER  46           HA       SER  46  15.868  -3.316   2.590
  379    HB2  SER  46          1HB       SER  46  15.449  -4.293   4.884
  380    HB3  SER  46          2HB       SER  46  15.080  -2.584   4.750
  381    HG   SER  46           HG       SER  46  13.110  -3.056   5.414
  382    H    LEU  47           H        LEU  47  16.306  -5.752   3.503
  383    HA   LEU  47           HA       LEU  47  15.156  -7.449   1.497
  384    HB2  LEU  47          1HB       LEU  47  17.126  -8.070   3.700
  385    HB3  LEU  47          2HB       LEU  47  16.733  -9.101   2.338
  386    HG   LEU  47           HG       LEU  47  17.544  -6.560   1.307
  387   HD11  LEU  47          1HD1      LEU  47  19.553  -6.039   2.284
  388   HD12  LEU  47          2HD1      LEU  47  18.623  -6.568   3.707
  389   HD13  LEU  47          3HD1      LEU  47  19.789  -7.676   2.943
  390   HD21  LEU  47          1HD2      LEU  47  18.643  -7.858  -0.153
  391   HD22  LEU  47          2HD2      LEU  47  19.456  -8.789   1.130
  392   HD23  LEU  47          3HD2      LEU  47  17.793  -9.202   0.648
  393    H    LEU  48           H        LEU  48  14.647  -6.689   4.901
  394    HA   LEU  48           HA       LEU  48  13.203  -9.116   5.417
  395    HB2  LEU  48          1HB       LEU  48  13.378  -6.572   7.037
  396    HB3  LEU  48          2HB       LEU  48  12.772  -8.122   7.586
  397    HG   LEU  48           HG       LEU  48  15.539  -8.159   6.532
  398   HD11  LEU  48          1HD1      LEU  48  15.915  -6.135   7.587
  399   HD12  LEU  48          2HD1      LEU  48  14.750  -6.472   8.890
  400   HD13  LEU  48          3HD1      LEU  48  16.321  -7.309   8.861
  401   HD21  LEU  48          1HD2      LEU  48  14.248  -9.273   9.038
  402   HD22  LEU  48          2HD2      LEU  48  14.494 -10.140   7.503
  403   HD23  LEU  48          3HD2      LEU  48  15.898  -9.618   8.465
  404    H    VAL  49           H        VAL  49  12.461  -5.656   4.706
  405    HA   VAL  49           HA       VAL  49   9.724  -6.538   4.111
  406    HB   VAL  49           HB       VAL  49  10.686  -4.540   6.005
  407   HG11  VAL  49          1HG1      VAL  49   8.933  -2.851   5.480
  408   HG12  VAL  49          2HG1      VAL  49  10.207  -2.947   4.241
  409   HG13  VAL  49          3HG1      VAL  49   8.620  -3.696   3.944
  410   HG21  VAL  49          1HG2      VAL  49   9.036  -5.470   7.180
  411   HG22  VAL  49          2HG2      VAL  49   7.831  -4.928   5.987
  412   HG23  VAL  49          3HG2      VAL  49   8.650  -6.495   5.777
  413    H    LYS  50           H        LYS  50   8.747  -5.550   2.281
  414    HA   LYS  50           HA       LYS  50  10.655  -4.032   0.642
  415    HB2  LYS  50          1HB       LYS  50  10.081  -6.425  -0.069
  416    HB3  LYS  50          2HB       LYS  50   8.471  -5.831  -0.425
  417    HG2  LYS  50          1HG       LYS  50   9.156  -4.787  -2.333
  418    HG3  LYS  50          2HG       LYS  50  10.543  -4.063  -1.541
  419    HD2  LYS  50          1HD       LYS  50  11.927  -5.956  -1.940
  420    HD3  LYS  50          2HD       LYS  50  10.561  -7.026  -2.195
  421    HE2  LYS  50          1HE       LYS  50  10.223  -6.316  -4.392
  422    HE3  LYS  50          2HE       LYS  50  10.826  -4.699  -4.083
  423    HZ1  LYS  50          1HZ       LYS  50  12.304  -6.156  -5.407
  424    HZ2  LYS  50          2HZ       LYS  50  13.021  -5.493  -4.098
  425    HZ3  LYS  50          3HZ       LYS  50  12.566  -7.060  -4.073
  426    H    TYR  51           H        TYR  51   9.625  -2.474  -0.895
  427    HA   TYR  51           HA       TYR  51   6.993  -1.579   0.025
  428    HB2  TYR  51          1HB       TYR  51   9.708  -0.187  -0.068
  429    HB3  TYR  51          2HB       TYR  51   8.280   0.784  -0.372
  430    HD1  TYR  51          1HD       TYR  51   9.960  -1.362   2.154
  431    HD2  TYR  51          2HD       TYR  51   6.862   1.495   1.413
  432    HE1  TYR  51          1HE       TYR  51   9.606  -1.083   4.655
  433    HE2  TYR  51          2HE       TYR  51   6.519   1.764   3.918
  434    HH   TYR  51           HH       TYR  51   7.028   1.016   5.891
  435    H    VAL  52           H        VAL  52   5.646  -1.191  -1.666
  436    HA   VAL  52           HA       VAL  52   6.906  -0.539  -4.235
  437    HB   VAL  52           HB       VAL  52   4.419  -2.199  -4.066
  438   HG11  VAL  52          1HG1      VAL  52   5.756  -1.089  -6.165
  439   HG12  VAL  52          2HG1      VAL  52   6.507  -2.702  -6.104
  440   HG13  VAL  52          3HG1      VAL  52   4.742  -2.548  -6.277
  441   HG21  VAL  52          1HG2      VAL  52   7.230  -3.344  -3.967
  442   HG22  VAL  52          2HG2      VAL  52   6.088  -3.312  -2.602
  443   HG23  VAL  52          3HG2      VAL  52   5.706  -4.259  -4.060
  444    H    CYS  53           H        CYS  53   6.399   1.567  -4.587
  445    HA   CYS  53           HA       CYS  53   3.776   2.465  -3.690
  446    HB2  CYS  53          1HB       CYS  53   5.965   4.264  -4.733
  447    HB3  CYS  53          2HB       CYS  53   4.613   4.669  -3.694
  448    H    CYS  54           H        CYS  54   2.355   3.569  -5.209
  449    HA   CYS  54           HA       CYS  54   3.160   3.457  -7.994
  450    HB2  CYS  54          1HB       CYS  54   0.868   2.433  -8.541
  451    HB3  CYS  54          2HB       CYS  54   2.120   1.359  -7.948
  452    H    ASN  55           H        ASN  55   1.830   4.925  -9.323
  453    HA   ASN  55           HA       ASN  55   0.588   6.937  -7.644
  454    HB2  ASN  55          1HB       ASN  55   0.952   8.476  -9.526
  455    HB3  ASN  55          2HB       ASN  55   2.451   7.623  -9.210
  456   HD21  ASN  55          1HD2      ASN  55   3.458   7.177 -11.004
  457   HD22  ASN  55          2HD2      ASN  55   2.771   6.589 -12.482
  458    H    THR  56           H        THR  56  -0.454   4.212  -8.920
  459    HA   THR  56           HA       THR  56  -2.659   5.307 -10.512
  460    HB   THR  56           HB       THR  56  -2.779   2.499 -10.514
  461    HG1  THR  56          1HG       THR  56  -0.724   2.381  -9.454
  462   HG21  THR  56          1HG2      THR  56  -0.866   3.733 -12.458
  463   HG22  THR  56          2HG2      THR  56  -2.293   2.718 -12.769
  464   HG23  THR  56          3HG2      THR  56  -2.493   4.453 -12.431
  465    H    ASP  57           H        ASP  57  -4.829   4.121 -10.158
  466    HA   ASP  57           HA       ASP  57  -5.380   4.466  -7.364
  467    HB2  ASP  57          1HB       ASP  57  -6.972   4.287  -9.910
  468    HB3  ASP  57          2HB       ASP  57  -7.792   3.816  -8.434
  469    H    ARG  58           H        ARG  58  -6.298   2.764  -6.024
  470    HA   ARG  58           HA       ARG  58  -6.302   0.724  -5.266
  471    HB2  ARG  58          1HB       ARG  58  -7.726   0.236  -7.931
  472    HB3  ARG  58          2HB       ARG  58  -7.761  -0.889  -6.587
  473    HG2  ARG  58          1HG       ARG  58  -9.426   0.280  -5.589
  474    HG3  ARG  58          2HG       ARG  58  -8.449   1.736  -5.580
  475    HD2  ARG  58          1HD       ARG  58  -9.893   2.610  -7.103
  476    HD3  ARG  58          2HD       ARG  58  -9.242   1.480  -8.275
  477    HE   ARG  58           HE       ARG  58 -11.298   0.308  -6.539
  478   HH11  ARG  58          1HH1      ARG  58 -13.657   0.218  -9.109
  479   HH12  ARG  58          2HH1      ARG  58 -13.265  -0.327  -7.512
  480   HH21  ARG  58          1HH2      ARG  58 -12.184   1.595 -10.260
  481   HH22  ARG  58          2HH2      ARG  58 -10.694   2.076  -9.522
  482    H    CYS  59           H        CYS  59  -3.922   1.453  -6.956
  483    HA   CYS  59           HA       CYS  59  -3.257  -0.790  -8.536
  484    HB2  CYS  59          1HB       CYS  59  -0.922   0.222  -8.411
  485    HB3  CYS  59          2HB       CYS  59  -2.176   1.223  -9.115
  486    H    ASN  60           H        ASN  60  -2.803   0.231  -5.127
  487    HA   ASN  60           HA       ASN  60  -1.087  -1.998  -4.608
  488    HB2  ASN  60          1HB       ASN  60  -0.885  -1.077  -2.383
  489    HB3  ASN  60          2HB       ASN  60  -0.927   0.303  -3.462
  490   HD21  ASN  60          1HD2      ASN  60  -1.835  -0.453  -0.588
  491   HD22  ASN  60          2HD2      ASN  60  -3.402   0.271  -0.436
  492    H1   HOH 101          1H        HOH  61   4.502 -10.933   2.602
  493    H2   HOH 101          2H        HOH  61   3.603  -9.717   2.626
  Start of MODEL   17
    1    H1   LEU   1           H        LEU   1  -5.452  10.497  -4.657
    2    HA   LEU   1           HA       LEU   1  -6.897   8.563  -6.024
    3    HB2  LEU   1          1HB       LEU   1  -4.153   9.133  -5.325
    4    HB3  LEU   1          2HB       LEU   1  -4.469   7.414  -5.206
    5    HG   LEU   1           HG       LEU   1  -5.350   7.438  -7.534
    6   HD11  LEU   1          1HD1      LEU   1  -4.247  10.248  -7.726
    7   HD12  LEU   1          2HD1      LEU   1  -5.131   9.324  -8.963
    8   HD13  LEU   1          3HD1      LEU   1  -5.973   9.880  -7.497
    9   HD21  LEU   1          1HD2      LEU   1  -2.559   7.991  -6.746
   10   HD22  LEU   1          2HD2      LEU   1  -3.249   6.655  -7.699
   11   HD23  LEU   1          3HD2      LEU   1  -2.927   8.226  -8.471
   12    H    LYS   2           H        LYS   2  -6.966   6.170  -5.494
   13    HA   LYS   2           HA       LYS   2  -7.543   5.856  -2.629
   14    HB2  LYS   2          1HB       LYS   2  -9.009   4.851  -5.067
   15    HB3  LYS   2          2HB       LYS   2  -9.170   4.050  -3.517
   16    HG2  LYS   2          1HG       LYS   2 -10.556   5.672  -2.737
   17    HG3  LYS   2          2HG       LYS   2  -9.416   6.934  -3.158
   18    HD2  LYS   2          1HD       LYS   2 -10.380   6.192  -5.657
   19    HD3  LYS   2          2HD       LYS   2 -11.797   5.965  -4.649
   20    HE2  LYS   2          1HE       LYS   2 -12.147   8.205  -4.727
   21    HE3  LYS   2          2HE       LYS   2 -10.689   8.427  -3.780
   22    HZ1  LYS   2          1HZ       LYS   2 -10.143   7.927  -6.521
   23    HZ2  LYS   2          2HZ       LYS   2 -11.055   9.266  -6.307
   24    HZ3  LYS   2          3HZ       LYS   2  -9.608   9.134  -5.559
   25    H    CYS   3           H        CYS   3  -6.988   3.814  -1.662
   26    HA   CYS   3           HA       CYS   3  -5.238   2.164  -3.316
   27    HB2  CYS   3          1HB       CYS   3  -4.460   2.837  -0.480
   28    HB3  CYS   3          2HB       CYS   3  -3.481   2.134  -1.751
   29    H    ASN   4           H        ASN   4  -5.254  -0.086  -2.672
   30    HA   ASN   4           HA       ASN   4  -7.632  -0.767  -1.248
   31    HB2  ASN   4          1HB       ASN   4  -5.516  -2.717  -2.261
   32    HB3  ASN   4          2HB       ASN   4  -7.230  -3.013  -2.048
   33   HD21  ASN   4          1HD2      ASN   4  -5.996  -3.620  -4.391
   34   HD22  ASN   4          2HD2      ASN   4  -6.520  -2.573  -5.668
   35    H    LYS   5           H        LYS   5  -7.566  -2.381   0.599
   36    HA   LYS   5           HA       LYS   5  -5.299  -1.810   2.319
   37    HB2  LYS   5          1HB       LYS   5  -7.966  -3.143   2.879
   38    HB3  LYS   5          2HB       LYS   5  -6.736  -2.801   4.079
   39    HG2  LYS   5          1HG       LYS   5  -8.326  -0.796   2.428
   40    HG3  LYS   5          2HG       LYS   5  -8.322  -0.982   4.170
   41    HD2  LYS   5          1HD       LYS   5  -6.038   0.046   2.430
   42    HD3  LYS   5          2HD       LYS   5  -6.960   0.961   3.606
   43    HE2  LYS   5          1HE       LYS   5  -6.058  -1.064   5.214
   44    HE3  LYS   5          2HE       LYS   5  -4.752  -1.015   4.046
   45    HZ1  LYS   5          1HZ       LYS   5  -4.092   0.956   4.795
   46    HZ2  LYS   5          2HZ       LYS   5  -5.601   1.557   4.962
   47    HZ3  LYS   5          3HZ       LYS   5  -4.964   0.613   6.133
   48    H    LEU   6           H        LEU   6  -5.102  -4.020   3.925
   49    HA   LEU   6           HA       LEU   6  -3.381  -5.644   2.627
   50    HB2  LEU   6          1HB       LEU   6  -3.748  -5.488   5.065
   51    HB3  LEU   6          2HB       LEU   6  -5.219  -6.425   4.894
   52    HG   LEU   6           HG       LEU   6  -4.089  -8.405   4.456
   53   HD11  LEU   6          1HD1      LEU   6  -1.737  -6.705   3.613
   54   HD12  LEU   6          2HD1      LEU   6  -1.620  -8.459   3.882
   55   HD13  LEU   6          3HD1      LEU   6  -2.710  -7.822   2.628
   56   HD21  LEU   6          1HD2      LEU   6  -2.148  -8.484   6.116
   57   HD22  LEU   6          2HD2      LEU   6  -2.472  -6.757   6.402
   58   HD23  LEU   6          3HD2      LEU   6  -3.735  -7.967   6.737
   59    H    VAL   7           H        VAL   7  -6.902  -6.349   3.185
   60    HA   VAL   7           HA       VAL   7  -6.702  -8.464   1.195
   61    HB   VAL   7           HB       VAL   7  -8.650  -7.675   3.329
   62   HG11  VAL   7          1HG1      VAL   7 -10.381  -9.041   2.499
   63   HG12  VAL   7          2HG1      VAL   7  -9.859  -8.075   1.099
   64   HG13  VAL   7          3HG1      VAL   7  -9.332  -9.768   1.257
   65   HG21  VAL   7          1HG2      VAL   7  -6.840  -9.207   3.912
   66   HG22  VAL   7          2HG2      VAL   7  -8.407 -10.053   3.955
   67   HG23  VAL   7          3HG2      VAL   7  -7.305 -10.293   2.578
   68    H    PRO   8           H        PRO   8  -6.534  -8.105  -1.053
   69    HA   PRO   8           HA       PRO   8  -7.431  -5.203  -1.629
   70   1HB   PRO   8          1HB       PRO   8  -7.827  -7.501  -3.520
   71   2HB   PRO   8          2HB       PRO   8  -6.852  -6.090  -3.726
   72   1HG   PRO   8          1HG       PRO   8  -5.654  -8.397  -3.053
   73   2HG   PRO   8          2HG       PRO   8  -5.162  -6.951  -2.232
   74   1HD   PRO   8          1HD       PRO   8  -7.066  -9.063  -1.194
   75   2HD   PRO   8          2HD       PRO   8  -5.735  -8.307  -0.368
   76    H    ILE   9           H        ILE   9  -9.982  -7.272  -0.683
   77    HA   ILE   9           HA       ILE   9 -11.873  -6.133  -2.560
   78    HB   ILE   9           HB       ILE   9 -12.133  -8.439  -2.141
   79   HG12  ILE   9          1HG1      ILE   9 -14.175  -6.712  -1.954
   80   HG13  ILE   9          2HG1      ILE   9 -14.378  -8.451  -1.880
   81   HG21  ILE   9          1HG2      ILE   9 -11.757  -7.682   0.731
   82   HG22  ILE   9          2HG2      ILE   9 -12.729  -9.118   0.331
   83   HG23  ILE   9          3HG2      ILE   9 -11.037  -9.012  -0.210
   84   HD11  ILE   9          1HD1      ILE   9 -13.759  -7.047   0.704
   85   HD12  ILE   9          2HD1      ILE   9 -15.382  -6.818   0.011
   86   HD13  ILE   9          3HD1      ILE   9 -14.804  -8.457   0.400
   87    H    ALA  10           H        ALA  10 -10.259  -4.700  -0.250
   88    HA   ALA  10           HA       ALA  10 -12.509  -3.053   0.504
   89    HB1  ALA  10          1HB       ALA  10 -11.459  -3.239   2.967
   90    HB2  ALA  10          2HB       ALA  10 -12.751  -4.329   2.408
   91    HB3  ALA  10          3HB       ALA  10 -11.057  -4.875   2.390
   92    H    TYR  11           H        TYR  11 -11.784  -1.097  -0.169
   93    HA   TYR  11           HA       TYR  11  -8.992  -0.436   0.491
   94    HB2  TYR  11          1HB       TYR  11  -8.913   0.660  -1.690
   95    HB3  TYR  11          2HB       TYR  11  -9.688  -0.882  -1.994
   96    HD1  TYR  11          1HD       TYR  11  -9.975   2.667  -2.300
   97    HD2  TYR  11          2HD       TYR  11 -12.281  -0.926  -2.028
   98    HE1  TYR  11          1HE       TYR  11 -11.974   3.864  -3.318
   99    HE2  TYR  11          2HE       TYR  11 -14.273   0.284  -3.046
  100    HH   TYR  11           HH       TYR  11 -14.737   3.291  -3.060
  101    H    LYS  12           H        LYS  12  -8.618   1.993   0.608
  102    HA   LYS  12           HA       LYS  12 -11.040   3.410   1.428
  103    HB2  LYS  12          1HB       LYS  12  -8.535   3.048   3.088
  104    HB3  LYS  12          2HB       LYS  12  -9.691   4.331   3.377
  105    HG2  LYS  12          1HG       LYS  12 -11.208   2.909   4.326
  106    HG3  LYS  12          2HG       LYS  12 -11.008   1.709   3.067
  107    HD2  LYS  12          1HD       LYS  12  -9.692   0.448   4.416
  108    HD3  LYS  12          2HD       LYS  12  -8.575   1.783   4.630
  109    HE2  LYS  12          1HE       LYS  12  -9.235   1.704   6.821
  110    HE3  LYS  12          2HE       LYS  12 -10.635   2.600   6.265
  111    HZ1  LYS  12          1HZ       LYS  12 -11.433   0.172   5.731
  112    HZ2  LYS  12          2HZ       LYS  12 -10.423  -0.190   6.962
  113    HZ3  LYS  12          3HZ       LYS  12 -11.658   0.851   7.198
  114    H    THR  13           H        THR  13 -10.115   5.858   2.016
  115    HA   THR  13           HA       THR  13  -8.936   6.669  -0.518
  116    HB   THR  13           HB       THR  13 -10.638   7.863   1.654
  117    HG1  THR  13          1HG       THR  13 -10.291   8.253  -1.233
  118   HG21  THR  13          1HG2      THR  13  -9.200   9.709   1.742
  119   HG22  THR  13          2HG2      THR  13  -8.476   9.343   0.157
  120   HG23  THR  13          3HG2      THR  13 -10.083  10.106   0.247
  121    H    CYS  14           H        CYS  14  -7.055   7.906  -0.752
  122    HA   CYS  14           HA       CYS  14  -5.075   7.272   1.178
  123    HB2  CYS  14          1HB       CYS  14  -4.864   9.109  -1.230
  124    HB3  CYS  14          2HB       CYS  14  -3.531   8.417  -0.325
  125    H    PRO  15           H        PRO  15  -4.792   8.005   3.351
  126    HA   PRO  15           HA       PRO  15  -6.613  10.553   3.654
  127   1HB   PRO  15          1HB       PRO  15  -4.718  10.383   5.680
  128   2HB   PRO  15          2HB       PRO  15  -6.116   9.377   5.551
  129   1HG   PRO  15          1HG       PRO  15  -3.249   8.807   4.686
  130   2HG   PRO  15          2HG       PRO  15  -4.387   7.753   5.465
  131   1HD   PRO  15          1HD       PRO  15  -3.986   7.545   2.794
  132   2HD   PRO  15          2HD       PRO  15  -5.548   7.238   3.495
  133    H    GLU  16           H        GLU  16  -5.510  12.381   5.309
  134    HA   GLU  16           HA       GLU  16  -4.818  14.397   3.583
  135    HB2  GLU  16          1HB       GLU  16  -4.349  14.142   6.585
  136    HB3  GLU  16          2HB       GLU  16  -4.168  15.641   5.695
  137    HG2  GLU  16          1HG       GLU  16  -6.740  13.995   5.775
  138    HG3  GLU  16          2HG       GLU  16  -6.428  15.383   6.798
  139    H    GLY  17           H        GLY  17  -2.938  14.964   2.567
  140    HA2  GLY  17          1HA       GLY  17  -0.672  15.329   2.399
  141    HA3  GLY  17          2HA       GLY  17  -0.383  14.333   3.812
  142    H    LYS  18           H        LYS  18  -2.039  12.045   2.899
  143    HA   LYS  18           HA       LYS  18  -0.058  10.893   1.137
  144    HB2  LYS  18          1HB       LYS  18  -2.451   9.444   2.248
  145    HB3  LYS  18          2HB       LYS  18  -0.875   8.811   1.819
  146    HG2  LYS  18          1HG       LYS  18  -0.007  10.475   3.709
  147    HG3  LYS  18          2HG       LYS  18  -1.668  10.412   4.262
  148    HD2  LYS  18          1HD       LYS  18  -1.364   8.353   5.167
  149    HD3  LYS  18          2HD       LYS  18  -0.758   7.715   3.652
  150    HE2  LYS  18          1HE       LYS  18   1.477   8.955   4.269
  151    HE3  LYS  18          2HE       LYS  18   0.813   9.053   5.886
  152    HZ1  LYS  18          1HZ       LYS  18   1.409   6.636   4.346
  153    HZ2  LYS  18          2HZ       LYS  18   2.003   7.079   5.802
  154    HZ3  LYS  18          3HZ       LYS  18   0.450   6.593   5.667
  155    H    ASN  19           H        ASN  19  -0.435  10.128  -0.960
  156    HA   ASN  19           HA       ASN  19  -3.100  10.532  -1.997
  157    HB2  ASN  19          1HB       ASN  19  -1.976  12.653  -2.540
  158    HB3  ASN  19          2HB       ASN  19  -0.563  11.808  -3.140
  159   HD21  ASN  19          1HD2      ASN  19  -0.488  12.272  -5.218
  160   HD22  ASN  19          2HD2      ASN  19  -1.749  12.017  -6.381
  161    H    LEU  20           H        LEU  20   0.334   9.490  -2.440
  162    HA   LEU  20           HA       LEU  20  -0.313   7.758  -4.631
  163    HB2  LEU  20          1HB       LEU  20   2.178   8.240  -3.001
  164    HB3  LEU  20          2HB       LEU  20   2.088   7.029  -4.264
  165    HG   LEU  20           HG       LEU  20   1.133   9.512  -5.335
  166   HD11  LEU  20          1HD1      LEU  20   3.372   9.779  -3.444
  167   HD12  LEU  20          2HD1      LEU  20   3.683  10.451  -5.063
  168   HD13  LEU  20          3HD1      LEU  20   2.279  11.010  -4.123
  169   HD21  LEU  20          1HD2      LEU  20   3.681   7.969  -5.888
  170   HD22  LEU  20          2HD2      LEU  20   2.087   7.633  -6.604
  171   HD23  LEU  20          3HD2      LEU  20   2.912   9.171  -6.951
  172    H    CYS  21           H        CYS  21   0.027   5.388  -4.572
  173    HA   CYS  21           HA       CYS  21  -0.919   4.365  -2.007
  174    HB2  CYS  21          1HB       CYS  21  -1.070   3.115  -4.771
  175    HB3  CYS  21          2HB       CYS  21  -1.694   2.401  -3.297
  176    H    TYR  22           H        TYR  22   0.277   2.752  -0.916
  177    HA   TYR  22           HA       TYR  22   2.719   1.826  -2.255
  178    HB2  TYR  22          1HB       TYR  22   3.996   2.590  -0.390
  179    HB3  TYR  22          2HB       TYR  22   2.777   3.846  -0.469
  180    HD1  TYR  22          1HD       TYR  22   1.359   4.266   1.370
  181    HD2  TYR  22          2HD       TYR  22   3.603   0.626   1.231
  182    HE1  TYR  22          1HE       TYR  22   0.682   3.749   3.766
  183    HE2  TYR  22          2HE       TYR  22   2.918   0.121   3.626
  184    HH   TYR  22           HH       TYR  22   1.760   0.746   5.335
  185    H    LYS  23           H        LYS  23   3.639  -0.156  -1.258
  186    HA   LYS  23           HA       LYS  23   1.800  -1.586   0.480
  187    HB2  LYS  23          1HB       LYS  23   1.031  -2.123  -1.790
  188    HB3  LYS  23          2HB       LYS  23   2.647  -2.632  -2.238
  189    HG2  LYS  23          1HG       LYS  23   2.560  -4.573  -0.922
  190    HG3  LYS  23          2HG       LYS  23   1.405  -3.890   0.207
  191    HD2  LYS  23          1HD       LYS  23   0.163  -5.494  -1.063
  192    HD3  LYS  23          2HD       LYS  23  -0.320  -3.934  -1.700
  193    HE2  LYS  23          1HE       LYS  23   1.893  -4.537  -3.280
  194    HE3  LYS  23          2HE       LYS  23   1.195  -6.123  -3.016
  195    HZ1  LYS  23          1HZ       LYS  23  -0.929  -4.530  -3.544
  196    HZ2  LYS  23          2HZ       LYS  23   0.210  -3.988  -4.580
  197    HZ3  LYS  23          3HZ       LYS  23  -0.222  -5.562  -4.592
  198    H    MET  24           H        MET  24   2.838  -3.097   1.812
  199    HA   MET  24           HA       MET  24   5.729  -3.198   1.426
  200    HB2  MET  24          1HB       MET  24   4.011  -2.659   3.860
  201    HB3  MET  24          2HB       MET  24   5.505  -3.539   4.113
  202    HG2  MET  24          1HG       MET  24   6.850  -1.719   3.521
  203    HG3  MET  24          2HG       MET  24   5.659  -1.053   2.420
  204    HE1  MET  24          1HE       MET  24   6.488  -2.062   5.848
  205    HE2  MET  24          2HE       MET  24   6.109  -0.660   6.875
  206    HE3  MET  24          3HE       MET  24   4.856  -1.878   6.533
  207    H    PHE  25           H        PHE  25   6.789  -5.197   1.925
  208    HA   PHE  25           HA       PHE  25   4.935  -7.419   2.423
  209    HB2  PHE  25          1HB       PHE  25   7.298  -7.032   0.505
  210    HB3  PHE  25          2HB       PHE  25   6.757  -8.641   0.937
  211    HD1  PHE  25          1HD       PHE  25   5.090  -9.658  -0.318
  212    HD2  PHE  25          2HD       PHE  25   5.470  -5.434  -0.457
  213    HE1  PHE  25          1HE       PHE  25   3.360  -9.562  -2.133
  214    HE2  PHE  25          2HE       PHE  25   3.740  -5.339  -2.273
  215    HZ   PHE  25           HZ       PHE  25   2.705  -7.404  -3.089
  216    H    MET  26           H        MET  26   6.372  -9.502   2.995
  217    HA   MET  26           HA       MET  26   8.441  -8.585   4.838
  218    HB2  MET  26          1HB       MET  26   6.246 -10.689   5.231
  219    HB3  MET  26          2HB       MET  26   7.620 -10.552   6.311
  220    HG2  MET  26          1HG       MET  26   6.979  -8.312   6.996
  221    HG3  MET  26          2HG       MET  26   5.799  -8.179   5.707
  222    HE1  MET  26          1HE       MET  26   6.246  -8.090   8.859
  223    HE2  MET  26          2HE       MET  26   4.488  -7.930   9.103
  224    HE3  MET  26          3HE       MET  26   5.366  -9.309   9.811
  225    H    MET  27           H        MET  27  10.153 -10.179   5.310
  226    HA   MET  27           HA       MET  27  11.095 -11.398   3.056
  227    HB2  MET  27          1HB       MET  27  11.645 -11.587   6.028
  228    HB3  MET  27          2HB       MET  27  12.410 -12.780   4.996
  229    HG2  MET  27          1HG       MET  27  12.579  -9.817   4.326
  230    HG3  MET  27          2HG       MET  27  13.686 -10.537   5.479
  231    HE1  MET  27          1HE       MET  27  12.910 -11.323   1.179
  232    HE2  MET  27          2HE       MET  27  12.384 -10.008   2.258
  233    HE3  MET  27          3HE       MET  27  13.950  -9.898   1.418
  234    H    SER  28           H        SER  28   8.536 -12.425   5.119
  235    HA   SER  28           HA       SER  28   8.904 -15.172   5.021
  236    HB2  SER  28          1HB       SER  28   7.336 -14.115   6.580
  237    HB3  SER  28          2HB       SER  28   6.373 -13.488   5.257
  238    HG   SER  28           HG       SER  28   6.150 -15.878   4.631
  239    H    ASP  29           H        ASP  29   7.279 -12.824   2.824
  240    HA   ASP  29           HA       ASP  29   7.664 -14.528   0.639
  241    HB2  ASP  29          1HB       ASP  29   5.015 -14.471   0.182
  242    HB3  ASP  29          2HB       ASP  29   5.775 -15.802   1.029
  243    H    LEU  30           H        LEU  30   8.493 -12.651  -0.410
  244    HA   LEU  30           HA       LEU  30   7.132 -10.156  -0.247
  245    HB2  LEU  30          1HB       LEU  30   9.409 -11.107  -1.993
  246    HB3  LEU  30          2HB       LEU  30   8.840  -9.453  -1.902
  247    HG   LEU  30           HG       LEU  30   9.866 -10.965   0.509
  248   HD11  LEU  30          1HD1      LEU  30  11.723 -10.972  -0.928
  249   HD12  LEU  30          2HD1      LEU  30  11.379  -9.334  -1.529
  250   HD13  LEU  30          3HD1      LEU  30  11.966  -9.565   0.135
  251   HD21  LEU  30          1HD2      LEU  30  10.339  -8.280   0.887
  252   HD22  LEU  30          2HD2      LEU  30   8.773  -8.287   0.040
  253   HD23  LEU  30          3HD2      LEU  30   8.971  -9.204   1.553
  254    H    THR  31           H        THR  31   6.422 -13.027  -1.848
  255    HA   THR  31           HA       THR  31   5.535 -11.856  -4.327
  256    HB   THR  31           HB       THR  31   4.844 -14.179  -4.790
  257    HG1  THR  31          1HG       THR  31   3.998 -14.447  -2.543
  258   HG21  THR  31          1HG2      THR  31   7.109 -14.494  -5.085
  259   HG22  THR  31          2HG2      THR  31   7.511 -13.614  -3.591
  260   HG23  THR  31          3HG2      THR  31   7.030 -15.326  -3.514
  261    H    ILE  32           H        ILE  32   4.269 -12.291  -1.098
  262    HA   ILE  32           HA       ILE  32   1.714 -11.267  -2.095
  263    HB   ILE  32           HB       ILE  32   2.226 -13.759  -0.589
  264   HG12  ILE  32          1HG1      ILE  32  -0.355 -13.454  -1.880
  265   HG13  ILE  32          2HG1      ILE  32   0.939 -12.985  -2.964
  266   HG21  ILE  32          1HG2      ILE  32   1.227 -12.488   1.191
  267   HG22  ILE  32          2HG2      ILE  32  -0.062 -11.902   0.113
  268   HG23  ILE  32          3HG2      ILE  32   0.018 -13.626   0.548
  269   HD11  ILE  32          1HD1      ILE  32   0.613 -15.362  -3.244
  270   HD12  ILE  32          2HD1      ILE  32   2.131 -15.159  -2.338
  271   HD13  ILE  32          3HD1      ILE  32   0.642 -15.634  -1.485
  272    H    PRO  33           H        PRO  33   1.015  -9.200  -1.538
  273    HA   PRO  33           HA       PRO  33   2.914  -8.200   0.793
  274   1HB   PRO  33          1HB       PRO  33   0.592  -6.706   0.641
  275   2HB   PRO  33          2HB       PRO  33   1.880  -6.622  -0.506
  276   1HG   PRO  33          1HG       PRO  33  -0.735  -8.183  -0.664
  277   2HG   PRO  33          2HG       PRO  33   0.069  -7.268  -1.902
  278   1HD   PRO  33          1HD       PRO  33   0.320  -9.981  -1.822
  279   2HD   PRO  33          2HD       PRO  33   1.590  -8.959  -2.429
  280    H    VAL  34           H        VAL  34   2.048  -6.889   2.749
  281    HA   VAL  34           HA       VAL  34   0.312  -8.572   4.393
  282    HB   VAL  34           HB       VAL  34   2.450  -7.439   5.954
  283   HG11  VAL  34          1HG1      VAL  34   1.328  -9.152   7.000
  284   HG12  VAL  34          2HG1      VAL  34   1.165 -10.108   5.506
  285   HG13  VAL  34          3HG1      VAL  34   2.728 -10.044   6.357
  286   HG21  VAL  34          1HG2      VAL  34   3.245  -9.091   3.554
  287   HG22  VAL  34          2HG2      VAL  34   3.968  -7.586   4.173
  288   HG23  VAL  34          3HG2      VAL  34   4.200  -9.114   5.057
  289    H    LYS  35           H        LYS  35   2.012  -5.443   3.840
  290    HA   LYS  35           HA       LYS  35  -0.189  -4.157   5.303
  291    HB2  LYS  35          1HB       LYS  35   1.750  -3.718   6.548
  292    HB3  LYS  35          2HB       LYS  35   2.747  -3.504   5.122
  293    HG2  LYS  35          1HG       LYS  35   2.267  -1.288   5.040
  294    HG3  LYS  35          2HG       LYS  35   0.544  -1.609   5.032
  295    HD2  LYS  35          1HD       LYS  35   1.780  -2.056   7.685
  296    HD3  LYS  35          2HD       LYS  35   1.972  -0.409   7.116
  297    HE2  LYS  35          1HE       LYS  35  -0.352  -0.011   7.042
  298    HE3  LYS  35          2HE       LYS  35  -0.746  -1.709   6.864
  299    HZ1  LYS  35          1HZ       LYS  35   0.615  -1.081   9.296
  300    HZ2  LYS  35          2HZ       LYS  35  -0.847  -0.368   9.158
  301    HZ3  LYS  35          3HZ       LYS  35  -0.719  -1.992   9.054
  302    H    ARG  36           H        ARG  36  -1.352  -2.543   4.277
  303    HA   ARG  36           HA       ARG  36  -0.366  -1.692   1.704
  304    HB2  ARG  36          1HB       ARG  36  -2.887  -3.278   2.196
  305    HB3  ARG  36          2HB       ARG  36  -2.961  -2.006   0.993
  306    HG2  ARG  36          1HG       ARG  36  -0.647  -3.153   0.186
  307    HG3  ARG  36          2HG       ARG  36  -1.353  -4.551   0.971
  308    HD2  ARG  36          1HD       ARG  36  -3.523  -3.630  -0.468
  309    HD3  ARG  36          2HD       ARG  36  -2.208  -3.147  -1.521
  310    HE   ARG  36           HE       ARG  36  -1.723  -5.835  -0.681
  311   HH11  ARG  36          1HH1      ARG  36  -3.288  -7.401  -3.379
  312   HH12  ARG  36          2HH1      ARG  36  -2.176  -7.597  -2.065
  313   HH21  ARG  36          1HH2      ARG  36  -4.316  -5.351  -3.736
  314   HH22  ARG  36          2HH2      ARG  36  -3.971  -4.016  -2.687
  315    H    GLY  37           H        GLY  37  -0.918   0.475   1.259
  316    HA2  GLY  37          1HA       GLY  37  -3.162   1.803   2.305
  317    HA3  GLY  37          2HA       GLY  37  -1.799   2.100   3.366
  318    H    CYS  38           H        CYS  38  -2.328   4.399   2.504
  319    HA   CYS  38           HA       CYS  38  -1.003   4.789  -0.076
  320    HB2  CYS  38          1HB       CYS  38  -3.011   6.529   1.389
  321    HB3  CYS  38          2HB       CYS  38  -2.145   7.034  -0.048
  322    H    ILE  39           H        ILE  39   0.353   6.877  -0.164
  323    HA   ILE  39           HA       ILE  39   1.281   7.873   2.362
  324    HB   ILE  39           HB       ILE  39   2.493   5.718   2.098
  325   HG12  ILE  39          1HG1      ILE  39   4.629   7.757   1.878
  326   HG13  ILE  39          2HG1      ILE  39   3.373   8.116   3.045
  327   HG21  ILE  39          1HG2      ILE  39   4.030   7.009  -0.150
  328   HG22  ILE  39          2HG2      ILE  39   4.039   5.315   0.393
  329   HG23  ILE  39          3HG2      ILE  39   2.618   5.970  -0.454
  330   HD11  ILE  39          1HD1      ILE  39   3.679   5.755   3.974
  331   HD12  ILE  39          2HD1      ILE  39   5.103   5.609   2.917
  332   HD13  ILE  39          3HD1      ILE  39   5.070   6.842   4.201
  333    H    ASP  40           H        ASP  40   2.894   9.672   2.014
  334    HA   ASP  40           HA       ASP  40   2.043  11.111  -0.305
  335    HB2  ASP  40          1HB       ASP  40   2.144  12.381   1.730
  336    HB3  ASP  40          2HB       ASP  40   3.729  11.755   2.140
  337    H    VAL  41           H        VAL  41   5.052   9.748   1.177
  338    HA   VAL  41           HA       VAL  41   6.359  10.065  -1.434
  339    HB   VAL  41           HB       VAL  41   7.477  10.537   1.333
  340   HG11  VAL  41          1HG1      VAL  41   8.831   9.374  -0.842
  341   HG12  VAL  41          2HG1      VAL  41   9.345  11.079  -0.813
  342   HG13  VAL  41          3HG1      VAL  41   9.543  10.064   0.635
  343   HG21  VAL  41          1HG2      VAL  41   8.089  12.757   0.332
  344   HG22  VAL  41          2HG2      VAL  41   7.142  12.310  -1.107
  345   HG23  VAL  41          3HG2      VAL  41   6.337  12.472   0.473
  346    H    CYS  42           H        CYS  42   7.455   8.261  -2.198
  347    HA   CYS  42           HA       CYS  42   6.701   5.799  -1.133
  348    HB2  CYS  42          1HB       CYS  42   7.323   6.296  -3.533
  349    HB3  CYS  42          2HB       CYS  42   9.005   6.307  -3.039
  350    H    PRO  43           H        PRO  43   7.026   4.787   0.936
  351    HA   PRO  43           HA       PRO  43   9.973   5.455   1.956
  352   1HB   PRO  43          1HB       PRO  43   8.570   2.873   2.413
  353   2HB   PRO  43          2HB       PRO  43   9.015   4.086   3.560
  354   1HG   PRO  43          1HG       PRO  43   6.428   3.843   2.819
  355   2HG   PRO  43          2HG       PRO  43   7.104   5.431   3.002
  356   1HD   PRO  43          1HD       PRO  43   6.769   3.907   0.399
  357   2HD   PRO  43          2HD       PRO  43   6.259   5.529   0.767
  358    H    LYS  44           H        LYS  44  11.891   4.259   2.317
  359    HA   LYS  44           HA       LYS  44  12.837   2.951  -0.038
  360    HB2  LYS  44          1HB       LYS  44  14.176   3.316   2.659
  361    HB3  LYS  44          2HB       LYS  44  14.960   2.849   1.163
  362    HG2  LYS  44          1HG       LYS  44  15.015   4.999   0.385
  363    HG3  LYS  44          2HG       LYS  44  13.355   5.307   0.854
  364    HD2  LYS  44          1HD       LYS  44  14.115   6.549   2.590
  365    HD3  LYS  44          2HD       LYS  44  14.784   5.095   3.301
  366    HE2  LYS  44          1HE       LYS  44  16.284   6.660   1.160
  367    HE3  LYS  44          2HE       LYS  44  16.419   7.066   2.860
  368    HZ1  LYS  44          1HZ       LYS  44  18.039   5.398   1.840
  369    HZ2  LYS  44          2HZ       LYS  44  17.423   5.074   3.317
  370    HZ3  LYS  44          3HZ       LYS  44  16.832   4.311   2.001
  371    H    ASN  45           H        ASN  45  13.750   0.757  -0.094
  372    HA   ASN  45           HA       ASN  45  11.972  -1.014   1.274
  373    HB2  ASN  45          1HB       ASN  45  14.310  -1.758  -0.550
  374    HB3  ASN  45          2HB       ASN  45  12.899  -2.734  -0.194
  375   HD21  ASN  45          1HD2      ASN  45  14.232  -0.152  -2.042
  376   HD22  ASN  45          2HD2      ASN  45  12.887   0.155  -3.088
  377    H    SER  46           H        SER  46  13.134  -3.191   2.124
  378    HA   SER  46           HA       SER  46  15.678  -2.552   3.341
  379    HB2  SER  46          1HB       SER  46  14.837  -3.471   5.551
  380    HB3  SER  46          2HB       SER  46  14.169  -1.915   5.102
  381    HG   SER  46           HG       SER  46  12.291  -2.893   5.479
  382    H    LEU  47           H        LEU  47  16.487  -4.684   4.574
  383    HA   LEU  47           HA       LEU  47  16.173  -6.813   2.642
  384    HB2  LEU  47          1HB       LEU  47  17.969  -6.675   5.063
  385    HB3  LEU  47          2HB       LEU  47  18.073  -7.804   3.727
  386    HG   LEU  47           HG       LEU  47  18.205  -5.176   2.626
  387   HD11  LEU  47          1HD1      LEU  47  19.815  -4.018   3.787
  388   HD12  LEU  47          2HD1      LEU  47  18.888  -4.744   5.123
  389   HD13  LEU  47          3HD1      LEU  47  20.431  -5.471   4.611
  390   HD21  LEU  47          1HD2      LEU  47  19.197  -6.997   1.503
  391   HD22  LEU  47          2HD2      LEU  47  20.546  -5.965   2.035
  392   HD23  LEU  47          3HD2      LEU  47  20.163  -7.458   2.926
  393    H    LEU  48           H        LEU  48  14.133  -5.846   4.864
  394    HA   LEU  48           HA       LEU  48  13.614  -8.578   5.808
  395    HB2  LEU  48          1HB       LEU  48  13.144  -6.050   7.392
  396    HB3  LEU  48          2HB       LEU  48  12.816  -7.692   7.909
  397    HG   LEU  48           HG       LEU  48  15.618  -7.183   7.109
  398   HD11  LEU  48          1HD1      LEU  48  16.271  -5.760   8.792
  399   HD12  LEU  48          2HD1      LEU  48  14.690  -5.067   8.355
  400   HD13  LEU  48          3HD1      LEU  48  14.841  -6.104   9.794
  401   HD21  LEU  48          1HD2      LEU  48  15.959  -8.401   9.329
  402   HD22  LEU  48          2HD2      LEU  48  14.194  -8.631   9.340
  403   HD23  LEU  48          3HD2      LEU  48  15.169  -9.302   8.012
  404    H    VAL  49           H        VAL  49  12.328  -5.314   4.964
  405    HA   VAL  49           HA       VAL  49   9.866  -6.680   4.131
  406    HB   VAL  49           HB       VAL  49  10.269  -4.507   6.045
  407   HG11  VAL  49          1HG1      VAL  49   8.339  -3.160   5.345
  408   HG12  VAL  49          2HG1      VAL  49   9.632  -3.121   4.122
  409   HG13  VAL  49          3HG1      VAL  49   8.190  -4.133   3.863
  410   HG21  VAL  49          1HG2      VAL  49   8.725  -5.702   7.122
  411   HG22  VAL  49          2HG2      VAL  49   7.559  -5.476   5.797
  412   HG23  VAL  49          3HG2      VAL  49   8.705  -6.837   5.751
  413    H    LYS  50           H        LYS  50   8.835  -5.785   2.245
  414    HA   LYS  50           HA       LYS  50  10.711  -4.184   0.654
  415    HB2  LYS  50          1HB       LYS  50  10.115  -6.551  -0.077
  416    HB3  LYS  50          2HB       LYS  50   8.494  -5.965  -0.384
  417    HG2  LYS  50          1HG       LYS  50   9.173  -4.579  -2.158
  418    HG3  LYS  50          2HG       LYS  50  10.805  -4.407  -1.545
  419    HD2  LYS  50          1HD       LYS  50  10.077  -7.207  -2.227
  420    HD3  LYS  50          2HD       LYS  50  10.041  -6.117  -3.599
  421    HE2  LYS  50          1HE       LYS  50  12.413  -6.008  -1.724
  422    HE3  LYS  50          2HE       LYS  50  12.310  -7.327  -2.874
  423    HZ1  LYS  50          1HZ       LYS  50  11.724  -5.191  -4.375
  424    HZ2  LYS  50          2HZ       LYS  50  12.828  -4.568  -3.346
  425    HZ3  LYS  50          3HZ       LYS  50  13.205  -5.868  -4.260
  426    H    TYR  51           H        TYR  51   9.654  -2.658  -0.940
  427    HA   TYR  51           HA       TYR  51   7.073  -1.681   0.033
  428    HB2  TYR  51          1HB       TYR  51   9.808  -0.332  -0.176
  429    HB3  TYR  51          2HB       TYR  51   8.378   0.650  -0.417
  430    HD1  TYR  51          1HD       TYR  51   7.008   1.335   1.431
  431    HD2  TYR  51          2HD       TYR  51  10.198  -1.453   2.037
  432    HE1  TYR  51          1HE       TYR  51   6.787   1.617   3.948
  433    HE2  TYR  51          2HE       TYR  51   9.964  -1.160   4.552
  434    HH   TYR  51           HH       TYR  51   7.948  -0.465   6.103
  435    H    VAL  52           H        VAL  52   5.699  -1.161  -1.612
  436    HA   VAL  52           HA       VAL  52   6.907  -0.601  -4.222
  437    HB   VAL  52           HB       VAL  52   4.431  -2.272  -3.989
  438   HG11  VAL  52          1HG1      VAL  52   5.569  -3.207  -6.150
  439   HG12  VAL  52          2HG1      VAL  52   4.758  -1.624  -6.195
  440   HG13  VAL  52          3HG1      VAL  52   6.532  -1.712  -6.071
  441   HG21  VAL  52          1HG2      VAL  52   7.218  -3.125  -3.366
  442   HG22  VAL  52          2HG2      VAL  52   5.663  -3.765  -2.784
  443   HG23  VAL  52          3HG2      VAL  52   6.255  -4.202  -4.405
  444    H    CYS  53           H        CYS  53   6.251   1.368  -4.895
  445    HA   CYS  53           HA       CYS  53   3.680   2.308  -3.852
  446    HB2  CYS  53          1HB       CYS  53   5.936   4.048  -4.883
  447    HB3  CYS  53          2HB       CYS  53   4.500   4.558  -4.018
  448    H    CYS  54           H        CYS  54   2.256   3.412  -5.386
  449    HA   CYS  54           HA       CYS  54   3.042   3.239  -8.171
  450    HB2  CYS  54          1HB       CYS  54   0.765   2.200  -8.702
  451    HB3  CYS  54          2HB       CYS  54   1.998   1.137  -8.052
  452    H    ASN  55           H        ASN  55   2.078   4.918  -9.394
  453    HA   ASN  55           HA       ASN  55   0.675   6.847  -7.779
  454    HB2  ASN  55          1HB       ASN  55   1.114   8.398  -9.668
  455    HB3  ASN  55          2HB       ASN  55   2.596   7.587  -9.201
  456   HD21  ASN  55          1HD2      ASN  55   0.547   8.378 -11.710
  457   HD22  ASN  55          2HD2      ASN  55   1.138   7.321 -12.948
  458    H    THR  56           H        THR  56  -0.618   4.293  -8.693
  459    HA   THR  56           HA       THR  56  -2.631   5.402 -10.540
  460    HB   THR  56           HB       THR  56  -2.929   2.669 -10.657
  461    HG1  THR  56          1HG       THR  56  -0.532   2.042 -10.720
  462   HG21  THR  56          1HG2      THR  56  -1.679   4.711 -12.305
  463   HG22  THR  56          2HG2      THR  56  -0.680   3.240 -12.346
  464   HG23  THR  56          3HG2      THR  56  -2.393   3.164 -12.820
  465    H    ASP  57           H        ASP  57  -4.854   4.309 -10.242
  466    HA   ASP  57           HA       ASP  57  -5.471   4.691  -7.465
  467    HB2  ASP  57          1HB       ASP  57  -7.004   4.533 -10.054
  468    HB3  ASP  57          2HB       ASP  57  -7.875   4.136  -8.587
  469    H    ARG  58           H        ARG  58  -6.210   3.004  -6.083
  470    HA   ARG  58           HA       ARG  58  -6.355   0.975  -5.334
  471    HB2  ARG  58          1HB       ARG  58  -7.905   0.675  -7.947
  472    HB3  ARG  58          2HB       ARG  58  -7.837  -0.618  -6.765
  473    HG2  ARG  58          1HG       ARG  58  -8.823   0.847  -5.038
  474    HG3  ARG  58          2HG       ARG  58  -8.783   2.216  -6.132
  475    HD2  ARG  58          1HD       ARG  58 -10.186   0.452  -7.682
  476    HD3  ARG  58          2HD       ARG  58 -10.650  -0.131  -6.095
  477    HE   ARG  58           HE       ARG  58 -11.872   1.842  -5.740
  478   HH11  ARG  58          1HH1      ARG  58 -12.163   4.697  -7.724
  479   HH12  ARG  58          2HH1      ARG  58 -12.782   3.848  -6.347
  480   HH21  ARG  58          1HH2      ARG  58 -10.410   3.798  -8.951
  481   HH22  ARG  58          2HH2      ARG  58  -9.721   2.277  -8.489
  482    H    CYS  59           H        CYS  59  -4.035   1.647  -7.216
  483    HA   CYS  59           HA       CYS  59  -3.462  -0.606  -8.769
  484    HB2  CYS  59          1HB       CYS  59  -1.083   0.290  -8.653
  485    HB3  CYS  59          2HB       CYS  59  -2.295   1.373  -9.306
  486    H    ASN  60           H        ASN  60  -2.717   0.381  -5.376
  487    HA   ASN  60           HA       ASN  60  -1.160  -1.943  -4.919
  488    HB2  ASN  60          1HB       ASN  60  -0.921  -1.092  -2.667
  489    HB3  ASN  60          2HB       ASN  60  -0.937   0.319  -3.707
  490   HD21  ASN  60          1HD2      ASN  60  -1.807  -0.429  -0.845
  491   HD22  ASN  60          2HD2      ASN  60  -3.368   0.298  -0.661
  492    H1   HOH 101          1H        HOH  61   4.973 -11.478   2.595
  493    H2   HOH 101          2H        HOH  61   3.851 -10.462   2.583
  Start of MODEL   18
    1    H1   LEU   1           H        LEU   1  -5.417  10.464  -5.042
    2    HA   LEU   1           HA       LEU   1  -6.688   8.444  -6.087
    3    HB2  LEU   1          1HB       LEU   1  -3.991   9.027  -5.483
    4    HB3  LEU   1          2HB       LEU   1  -4.239   7.345  -5.056
    5    HG   LEU   1           HG       LEU   1  -5.029   6.841  -7.307
    6   HD11  LEU   1          1HD1      LEU   1  -4.396   9.014  -8.894
    7   HD12  LEU   1          2HD1      LEU   1  -6.032   8.476  -8.445
    8   HD13  LEU   1          3HD1      LEU   1  -5.223   9.750  -7.500
    9   HD21  LEU   1          1HD2      LEU   1  -2.882   7.461  -8.565
   10   HD22  LEU   1          2HD2      LEU   1  -2.374   8.246  -7.051
   11   HD23  LEU   1          3HD2      LEU   1  -2.726   6.502  -7.075
   12    H    LYS   2           H        LYS   2  -6.855   6.054  -5.592
   13    HA   LYS   2           HA       LYS   2  -7.579   5.739  -2.762
   14    HB2  LYS   2          1HB       LYS   2  -8.813   4.525  -5.249
   15    HB3  LYS   2          2HB       LYS   2  -9.197   4.014  -3.618
   16    HG2  LYS   2          1HG       LYS   2 -10.614   5.762  -3.342
   17    HG3  LYS   2          2HG       LYS   2  -9.349   6.908  -3.740
   18    HD2  LYS   2          1HD       LYS   2  -9.786   6.548  -6.176
   19    HD3  LYS   2          2HD       LYS   2 -11.049   5.398  -5.781
   20    HE2  LYS   2          1HE       LYS   2 -12.309   7.184  -4.569
   21    HE3  LYS   2          2HE       LYS   2 -11.041   8.337  -4.940
   22    HZ1  LYS   2          1HZ       LYS   2 -12.579   8.636  -6.600
   23    HZ2  LYS   2          2HZ       LYS   2 -11.492   7.664  -7.334
   24    HZ3  LYS   2          3HZ       LYS   2 -12.900   7.046  -6.783
   25    H    CYS   3           H        CYS   3  -7.029   3.757  -1.711
   26    HA   CYS   3           HA       CYS   3  -5.189   2.072  -3.228
   27    HB2  CYS   3          1HB       CYS   3  -4.551   2.824  -0.379
   28    HB3  CYS   3          2HB       CYS   3  -3.505   2.113  -1.591
   29    H    ASN   4           H        ASN   4  -5.227  -0.157  -2.525
   30    HA   ASN   4           HA       ASN   4  -7.660  -0.809  -1.179
   31    HB2  ASN   4          1HB       ASN   4  -5.506  -2.776  -2.072
   32    HB3  ASN   4          2HB       ASN   4  -7.227  -3.073  -1.910
   33   HD21  ASN   4          1HD2      ASN   4  -5.910  -3.731  -4.195
   34   HD22  ASN   4          2HD2      ASN   4  -6.392  -2.715  -5.513
   35    H    LYS   5           H        LYS   5  -7.579  -2.556   0.623
   36    HA   LYS   5           HA       LYS   5  -5.403  -1.882   2.442
   37    HB2  LYS   5          1HB       LYS   5  -8.077  -3.224   2.942
   38    HB3  LYS   5          2HB       LYS   5  -6.888  -2.845   4.172
   39    HG2  LYS   5          1HG       LYS   5  -8.469  -0.901   2.444
   40    HG3  LYS   5          2HG       LYS   5  -8.473  -1.033   4.192
   41    HD2  LYS   5          1HD       LYS   5  -6.178  -0.045   2.441
   42    HD3  LYS   5          2HD       LYS   5  -7.132   0.912   3.555
   43    HE2  LYS   5          1HE       LYS   5  -6.221  -1.078   5.240
   44    HE3  LYS   5          2HE       LYS   5  -4.882  -0.966   4.116
   45    HZ1  LYS   5          1HZ       LYS   5  -5.427   0.729   6.178
   46    HZ2  LYS   5          2HZ       LYS   5  -4.299   0.941   5.018
   47    HZ3  LYS   5          3HZ       LYS   5  -5.784   1.596   4.842
   48    H    LEU   6           H        LEU   6  -5.100  -3.998   4.060
   49    HA   LEU   6           HA       LEU   6  -3.416  -5.667   2.767
   50    HB2  LEU   6          1HB       LEU   6  -3.909  -5.334   5.262
   51    HB3  LEU   6          2HB       LEU   6  -5.122  -6.584   5.070
   52    HG   LEU   6           HG       LEU   6  -3.529  -8.250   4.621
   53   HD11  LEU   6          1HD1      LEU   6  -1.579  -6.006   4.073
   54   HD12  LEU   6          2HD1      LEU   6  -1.082  -7.700   4.291
   55   HD13  LEU   6          3HD1      LEU   6  -2.171  -7.258   2.955
   56   HD21  LEU   6          1HD2      LEU   6  -2.029  -6.549   6.610
   57   HD22  LEU   6          2HD2      LEU   6  -3.602  -7.290   6.991
   58   HD23  LEU   6          3HD2      LEU   6  -2.215  -8.319   6.560
   59    H    VAL   7           H        VAL   7  -6.977  -6.027   3.158
   60    HA   VAL   7           HA       VAL   7  -6.821  -8.359   1.384
   61    HB   VAL   7           HB       VAL   7  -9.263  -7.552   2.919
   62   HG11  VAL   7          1HG1      VAL   7  -8.174 -10.326   2.397
   63   HG12  VAL   7          2HG1      VAL   7  -9.843  -9.832   2.773
   64   HG13  VAL   7          3HG1      VAL   7  -9.137  -9.444   1.185
   65   HG21  VAL   7          1HG2      VAL   7  -7.790  -7.469   4.725
   66   HG22  VAL   7          2HG2      VAL   7  -8.337  -9.163   4.742
   67   HG23  VAL   7          3HG2      VAL   7  -6.744  -8.750   4.064
   68    H    PRO   8           H        PRO   8  -6.566  -7.948  -0.855
   69    HA   PRO   8           HA       PRO   8  -7.702  -5.153  -1.532
   70   1HB   PRO   8          1HB       PRO   8  -7.918  -7.544  -3.333
   71   2HB   PRO   8          2HB       PRO   8  -7.062  -6.068  -3.598
   72   1HG   PRO   8          1HG       PRO   8  -5.678  -8.247  -2.846
   73   2HG   PRO   8          2HG       PRO   8  -5.299  -6.733  -2.088
   74   1HD   PRO   8          1HD       PRO   8  -7.019  -8.948  -0.950
   75   2HD   PRO   8          2HD       PRO   8  -5.751  -8.051  -0.167
   76    H    ILE   9           H        ILE   9 -10.076  -7.303  -0.413
   77    HA   ILE   9           HA       ILE   9 -12.065  -6.547  -2.362
   78    HB   ILE   9           HB       ILE   9 -12.146  -8.776  -1.569
   79   HG12  ILE   9          1HG1      ILE   9 -14.413  -8.938  -0.753
   80   HG13  ILE   9          2HG1      ILE   9 -14.378  -7.289  -0.159
   81   HG21  ILE   9          1HG2      ILE   9 -11.220  -9.194   0.418
   82   HG22  ILE   9          2HG2      ILE   9 -11.548  -7.552   1.022
   83   HG23  ILE   9          3HG2      ILE   9 -12.814  -8.800   1.102
   84   HD11  ILE   9          1HD1      ILE   9 -15.555  -7.431  -2.339
   85   HD12  ILE   9          2HD1      ILE   9 -14.084  -6.438  -2.476
   86   HD13  ILE   9          3HD1      ILE   9 -14.089  -8.110  -3.088
   87    H    ALA  10           H        ALA  10 -10.505  -4.793  -0.135
   88    HA   ALA  10           HA       ALA  10 -12.771  -3.056   0.235
   89    HB1  ALA  10          1HB       ALA  10 -11.403  -3.483   2.801
   90    HB2  ALA  10          2HB       ALA  10 -13.144  -3.392   2.438
   91    HB3  ALA  10          3HB       ALA  10 -12.268  -4.928   2.227
   92    H    TYR  11           H        TYR  11 -12.062  -1.004  -0.102
   93    HA   TYR  11           HA       TYR  11  -9.285  -0.407   0.608
   94    HB2  TYR  11          1HB       TYR  11  -8.992   0.576  -1.625
   95    HB3  TYR  11          2HB       TYR  11  -9.679  -1.015  -1.886
   96    HD1  TYR  11          1HD       TYR  11 -10.010   2.458  -2.577
   97    HD2  TYR  11          2HD       TYR  11 -12.286  -1.136  -2.118
   98    HE1  TYR  11          1HE       TYR  11 -11.924   3.492  -3.894
   99    HE2  TYR  11          2HE       TYR  11 -14.191  -0.090  -3.436
  100    HH   TYR  11           HH       TYR  11 -14.845   2.645  -3.791
  101    H    LYS  12           H        LYS  12  -8.872   2.013   0.611
  102    HA   LYS  12           HA       LYS  12 -11.335   3.522   1.066
  103    HB2  LYS  12          1HB       LYS  12  -9.005   3.335   2.996
  104    HB3  LYS  12          2HB       LYS  12 -10.281   4.532   3.099
  105    HG2  LYS  12          1HG       LYS  12 -11.248   1.727   2.819
  106    HG3  LYS  12          2HG       LYS  12 -10.360   2.041   4.297
  107    HD2  LYS  12          1HD       LYS  12 -11.864   4.115   4.613
  108    HD3  LYS  12          2HD       LYS  12 -12.844   3.498   3.297
  109    HE2  LYS  12          1HE       LYS  12 -13.277   1.406   4.541
  110    HE3  LYS  12          2HE       LYS  12 -12.192   1.906   5.823
  111    HZ1  LYS  12          1HZ       LYS  12 -14.840   2.442   5.673
  112    HZ2  LYS  12          2HZ       LYS  12 -13.779   3.141   6.700
  113    HZ3  LYS  12          3HZ       LYS  12 -14.151   3.872   5.287
  114    H    THR  13           H        THR  13 -10.381   5.987   1.619
  115    HA   THR  13           HA       THR  13  -8.851   6.579  -0.805
  116    HB   THR  13           HB       THR  13 -10.100   8.539  -0.853
  117    HG1  THR  13          1HG       THR  13 -10.462   9.671   1.167
  118   HG21  THR  13          1HG2      THR  13 -11.752   6.555  -0.253
  119   HG22  THR  13          2HG2      THR  13 -11.809   7.327   1.349
  120   HG23  THR  13          3HG2      THR  13 -12.330   8.230  -0.094
  121    H    CYS  14           H        CYS  14  -6.850   7.476  -0.832
  122    HA   CYS  14           HA       CYS  14  -5.308   7.219   1.489
  123    HB2  CYS  14          1HB       CYS  14  -4.514   8.851  -0.929
  124    HB3  CYS  14          2HB       CYS  14  -3.477   7.978   0.182
  125    H    PRO  15           H        PRO  15  -5.337   8.213   3.557
  126    HA   PRO  15           HA       PRO  15  -6.853  10.979   3.264
  127   1HB   PRO  15          1HB       PRO  15  -5.303  10.883   5.553
  128   2HB   PRO  15          2HB       PRO  15  -6.777  10.012   5.338
  129   1HG   PRO  15          1HG       PRO  15  -3.905   9.044   5.002
  130   2HG   PRO  15          2HG       PRO  15  -5.254   8.232   5.732
  131   1HD   PRO  15          1HD       PRO  15  -4.520   7.610   3.194
  132   2HD   PRO  15          2HD       PRO  15  -6.181   7.535   3.702
  133    H    GLU  16           H        GLU  16  -5.899  12.981   4.618
  134    HA   GLU  16           HA       GLU  16  -4.519  14.471   2.767
  135    HB2  GLU  16          1HB       GLU  16  -4.925  14.873   5.759
  136    HB3  GLU  16          2HB       GLU  16  -4.213  16.094   4.723
  137    HG2  GLU  16          1HG       GLU  16  -6.823  14.893   3.825
  138    HG3  GLU  16          2HG       GLU  16  -6.875  15.971   5.206
  139    H    GLY  17           H        GLY  17  -2.366  14.754   2.289
  140    HA2  GLY  17          1HA       GLY  17  -0.113  14.987   2.978
  141    HA3  GLY  17          2HA       GLY  17  -0.387  13.833   4.268
  142    H    LYS  18           H        LYS  18  -1.867  11.839   2.743
  143    HA   LYS  18           HA       LYS  18   0.330  10.878   1.051
  144    HB2  LYS  18          1HB       LYS  18  -1.014   8.626   1.615
  145    HB3  LYS  18          2HB       LYS  18   0.286   9.246   2.615
  146    HG2  LYS  18          1HG       LYS  18  -1.355  10.399   4.081
  147    HG3  LYS  18          2HG       LYS  18  -2.673   9.862   3.057
  148    HD2  LYS  18          1HD       LYS  18  -2.710   7.787   4.004
  149    HD3  LYS  18          2HD       LYS  18  -0.971   7.611   3.888
  150    HE2  LYS  18          1HE       LYS  18  -0.584   8.609   5.992
  151    HE3  LYS  18          2HE       LYS  18  -2.094   9.498   5.967
  152    HZ1  LYS  18          1HZ       LYS  18  -2.120   7.592   7.459
  153    HZ2  LYS  18          2HZ       LYS  18  -3.274   7.473   6.310
  154    HZ3  LYS  18          3HZ       LYS  18  -1.915   6.575   6.198
  155    H    ASN  19           H        ASN  19  -0.070  10.342  -1.068
  156    HA   ASN  19           HA       ASN  19  -2.869  10.450  -1.863
  157    HB2  ASN  19          1HB       ASN  19  -1.830  12.561  -2.576
  158    HB3  ASN  19          2HB       ASN  19  -0.448  11.715  -3.243
  159   HD21  ASN  19          1HD2      ASN  19  -0.509  12.007  -5.343
  160   HD22  ASN  19          2HD2      ASN  19  -1.852  11.715  -6.398
  161    H    LEU  20           H        LEU  20   0.514   9.353  -2.415
  162    HA   LEU  20           HA       LEU  20  -0.231   7.581  -4.546
  163    HB2  LEU  20          1HB       LEU  20   2.316   8.093  -3.019
  164    HB3  LEU  20          2HB       LEU  20   2.177   6.821  -4.217
  165    HG   LEU  20           HG       LEU  20   1.218   9.295  -5.345
  166   HD11  LEU  20          1HD1      LEU  20   3.622  10.328  -5.347
  167   HD12  LEU  20          2HD1      LEU  20   2.503  10.658  -4.004
  168   HD13  LEU  20          3HD1      LEU  20   3.790   9.445  -3.811
  169   HD21  LEU  20          1HD2      LEU  20   3.772   7.909  -6.115
  170   HD22  LEU  20          2HD2      LEU  20   2.194   7.134  -6.398
  171   HD23  LEU  20          3HD2      LEU  20   2.557   8.709  -7.142
  172    H    CYS  21           H        CYS  21   0.056   5.212  -4.437
  173    HA   CYS  21           HA       CYS  21  -0.807   4.271  -1.812
  174    HB2  CYS  21          1HB       CYS  21  -1.057   2.887  -4.503
  175    HB3  CYS  21          2HB       CYS  21  -1.721   2.329  -2.980
  176    H    TYR  22           H        TYR  22   0.403   2.672  -0.722
  177    HA   TYR  22           HA       TYR  22   2.829   1.754  -2.106
  178    HB2  TYR  22          1HB       TYR  22   4.066   2.361  -0.138
  179    HB3  TYR  22          2HB       TYR  22   2.908   3.671  -0.250
  180    HD1  TYR  22          1HD       TYR  22   3.200   0.251   1.276
  181    HD2  TYR  22          2HD       TYR  22   1.723   4.248   1.663
  182    HE1  TYR  22          1HE       TYR  22   2.372  -0.273   3.622
  183    HE2  TYR  22          2HE       TYR  22   0.901   3.710   4.009
  184    HH   TYR  22           HH       TYR  22   1.937   1.390   5.791
  185    H    LYS  23           H        LYS  23   3.562  -0.359  -1.561
  186    HA   LYS  23           HA       LYS  23   1.694  -1.879   0.116
  187    HB2  LYS  23          1HB       LYS  23   1.964  -2.103  -2.678
  188    HB3  LYS  23          2HB       LYS  23   2.824  -3.481  -2.019
  189    HG2  LYS  23          1HG       LYS  23   0.751  -3.851  -0.499
  190    HG3  LYS  23          2HG       LYS  23  -0.077  -2.691  -1.521
  191    HD2  LYS  23          1HD       LYS  23   1.259  -5.257  -2.509
  192    HD3  LYS  23          2HD       LYS  23  -0.464  -5.056  -2.253
  193    HE2  LYS  23          1HE       LYS  23  -0.744  -3.931  -4.223
  194    HE3  LYS  23          2HE       LYS  23   0.655  -2.911  -3.943
  195    HZ1  LYS  23          1HZ       LYS  23   1.803  -5.248  -4.425
  196    HZ2  LYS  23          2HZ       LYS  23   0.477  -5.390  -5.367
  197    HZ3  LYS  23          3HZ       LYS  23   1.500  -4.136  -5.581
  198    H    MET  24           H        MET  24   2.736  -2.671   1.856
  199    HA   MET  24           HA       MET  24   5.613  -2.929   1.643
  200    HB2  MET  24          1HB       MET  24   3.585  -2.601   3.863
  201    HB3  MET  24          2HB       MET  24   5.076  -3.426   4.269
  202    HG2  MET  24          1HG       MET  24   6.399  -1.525   3.914
  203    HG3  MET  24          2HG       MET  24   5.303  -0.848   2.724
  204    HE1  MET  24          1HE       MET  24   6.074  -0.831   6.750
  205    HE2  MET  24          2HE       MET  24   4.380  -1.153   7.191
  206    HE3  MET  24          3HE       MET  24   5.267  -2.305   6.164
  207    H    PHE  25           H        PHE  25   6.733  -4.885   2.044
  208    HA   PHE  25           HA       PHE  25   5.012  -7.234   2.389
  209    HB2  PHE  25          1HB       PHE  25   7.336  -6.617   0.487
  210    HB3  PHE  25          2HB       PHE  25   6.901  -8.275   0.847
  211    HD1  PHE  25          1HD       PHE  25   5.128  -9.323  -0.286
  212    HD2  PHE  25          2HD       PHE  25   5.572  -5.113  -0.560
  213    HE1  PHE  25          1HE       PHE  25   3.385  -9.257  -2.091
  214    HE2  PHE  25          2HE       PHE  25   3.829  -5.046  -2.365
  215    HZ   PHE  25           HZ       PHE  25   2.756  -7.119  -3.109
  216    H    MET  26           H        MET  26   6.613  -9.254   2.823
  217    HA   MET  26           HA       MET  26   8.752  -8.351   4.560
  218    HB2  MET  26          1HB       MET  26   6.464 -10.256   5.301
  219    HB3  MET  26          2HB       MET  26   7.923 -10.107   6.261
  220    HG2  MET  26          1HG       MET  26   7.464  -7.662   6.576
  221    HG3  MET  26          2HG       MET  26   6.000  -7.816   5.624
  222    HE1  MET  26          1HE       MET  26   8.028  -8.901   8.528
  223    HE2  MET  26          2HE       MET  26   6.879  -9.376   9.801
  224    HE3  MET  26          3HE       MET  26   7.310 -10.530   8.515
  225    H    MET  27           H        MET  27  10.080 -10.378   5.354
  226    HA   MET  27           HA       MET  27  10.970 -11.672   3.076
  227    HB2  MET  27          1HB       MET  27  11.391 -11.913   6.065
  228    HB3  MET  27          2HB       MET  27  12.001 -13.217   5.065
  229    HG2  MET  27          1HG       MET  27  12.635 -10.418   4.163
  230    HG3  MET  27          2HG       MET  27  13.453 -10.983   5.606
  231    HE1  MET  27          1HE       MET  27  14.349 -11.745   1.381
  232    HE2  MET  27          2HE       MET  27  12.790 -12.542   1.703
  233    HE3  MET  27          3HE       MET  27  13.014 -10.826   2.115
  234    H    SER  28           H        SER  28   8.156 -12.242   4.902
  235    HA   SER  28           HA       SER  28   8.113 -15.018   4.948
  236    HB2  SER  28          1HB       SER  28   6.530 -13.942   6.328
  237    HB3  SER  28          2HB       SER  28   6.014 -12.847   5.061
  238    HG   SER  28           HG       SER  28   4.379 -14.378   5.266
  239    H    ASP  29           H        ASP  29   6.869 -12.585   2.568
  240    HA   ASP  29           HA       ASP  29   7.315 -14.366   0.449
  241    HB2  ASP  29          1HB       ASP  29   4.784 -14.234  -0.270
  242    HB3  ASP  29          2HB       ASP  29   5.295 -15.480   0.851
  243    H    LEU  30           H        LEU  30   8.255 -12.700  -0.780
  244    HA   LEU  30           HA       LEU  30   7.272 -10.037  -0.661
  245    HB2  LEU  30          1HB       LEU  30   9.291 -11.399  -2.446
  246    HB3  LEU  30          2HB       LEU  30   8.947  -9.680  -2.482
  247    HG   LEU  30           HG       LEU  30   9.846 -11.065   0.046
  248   HD11  LEU  30          1HD1      LEU  30  11.636  -9.780  -2.036
  249   HD12  LEU  30          2HD1      LEU  30  12.137 -10.434  -0.459
  250   HD13  LEU  30          3HD1      LEU  30  11.504 -11.525  -1.713
  251   HD21  LEU  30          1HD2      LEU  30   8.787  -8.640  -0.173
  252   HD22  LEU  30          2HD2      LEU  30  10.121  -8.993   0.952
  253   HD23  LEU  30          3HD2      LEU  30  10.459  -8.222  -0.617
  254    H    THR  31           H        THR  31   6.139 -12.854  -2.179
  255    HA   THR  31           HA       THR  31   5.197 -11.550  -4.581
  256    HB   THR  31           HB       THR  31   5.641 -14.239  -3.578
  257    HG1  THR  31          1HG       THR  31   6.313 -13.615  -5.659
  258   HG21  THR  31          1HG2      THR  31   3.171 -14.326  -3.186
  259   HG22  THR  31          2HG2      THR  31   2.896 -13.688  -4.825
  260   HG23  THR  31          3HG2      THR  31   3.625 -15.298  -4.606
  261    H    ILE  32           H        ILE  32   4.127 -12.020  -1.284
  262    HA   ILE  32           HA       ILE  32   1.599 -10.770  -2.057
  263    HB   ILE  32           HB       ILE  32   2.002 -13.364  -0.671
  264   HG12  ILE  32          1HG1      ILE  32  -0.405 -12.397  -2.214
  265   HG13  ILE  32          2HG1      ILE  32   1.051 -12.918  -3.039
  266   HG21  ILE  32          1HG2      ILE  32   1.098 -12.258   1.191
  267   HG22  ILE  32          2HG2      ILE  32  -0.018 -11.295   0.194
  268   HG23  ILE  32          3HG2      ILE  32  -0.293 -13.041   0.405
  269   HD11  ILE  32          1HD1      ILE  32   0.784 -14.999  -1.306
  270   HD12  ILE  32          2HD1      ILE  32  -0.924 -14.527  -1.471
  271   HD13  ILE  32          3HD1      ILE  32   0.019 -14.974  -2.913
  272    H    PRO  33           H        PRO  33   1.078  -8.701  -1.328
  273    HA   PRO  33           HA       PRO  33   3.214  -7.972   0.893
  274   1HB   PRO  33          1HB       PRO  33   0.986  -6.329   1.008
  275   2HB   PRO  33          2HB       PRO  33   2.200  -6.246  -0.219
  276   1HG   PRO  33          1HG       PRO  33  -0.522  -7.608  -0.295
  277   2HG   PRO  33          2HG       PRO  33   0.283  -6.702  -1.537
  278   1HD   PRO  33          1HD       PRO  33   0.320  -9.436  -1.566
  279   2HD   PRO  33          2HD       PRO  33   1.609  -8.484  -2.240
  280    H    VAL  34           H        VAL  34   2.701  -6.789   2.999
  281    HA   VAL  34           HA       VAL  34   1.171  -8.614   4.722
  282    HB   VAL  34           HB       VAL  34   2.733  -8.105   6.483
  283   HG11  VAL  34          1HG1      VAL  34   3.251  -9.713   4.339
  284   HG12  VAL  34          2HG1      VAL  34   4.708  -8.690   4.361
  285   HG13  VAL  34          3HG1      VAL  34   4.257  -9.628   5.806
  286   HG21  VAL  34          1HG2      VAL  34   4.409  -6.499   4.543
  287   HG22  VAL  34          2HG2      VAL  34   3.198  -5.741   5.607
  288   HG23  VAL  34          3HG2      VAL  34   4.569  -6.632   6.311
  289    H    LYS  35           H        LYS  35   2.014  -5.255   3.829
  290    HA   LYS  35           HA       LYS  35  -0.362  -4.412   5.324
  291    HB2  LYS  35          1HB       LYS  35   2.191  -2.789   5.220
  292    HB3  LYS  35          2HB       LYS  35   0.749  -2.468   6.162
  293    HG2  LYS  35          1HG       LYS  35   1.552  -5.122   6.848
  294    HG3  LYS  35          2HG       LYS  35   3.021  -4.170   6.821
  295    HD2  LYS  35          1HD       LYS  35   2.291  -3.812   9.019
  296    HD3  LYS  35          2HD       LYS  35   1.625  -2.408   8.208
  297    HE2  LYS  35          1HE       LYS  35  -0.539  -3.742   7.876
  298    HE3  LYS  35          2HE       LYS  35   0.145  -4.988   8.902
  299    HZ1  LYS  35          1HZ       LYS  35  -0.320  -3.787  10.674
  300    HZ2  LYS  35          2HZ       LYS  35   0.401  -2.445  10.089
  301    HZ3  LYS  35          3HZ       LYS  35  -1.160  -2.755   9.728
  302    H    ARG  36           H        ARG  36  -1.442  -2.527   4.413
  303    HA   ARG  36           HA       ARG  36  -0.498  -1.784   1.791
  304    HB2  ARG  36          1HB       ARG  36  -2.950  -3.388   2.362
  305    HB3  ARG  36          2HB       ARG  36  -3.222  -2.013   1.309
  306    HG2  ARG  36          1HG       ARG  36  -0.924  -3.010   0.192
  307    HG3  ARG  36          2HG       ARG  36  -1.616  -4.491   0.822
  308    HD2  ARG  36          1HD       ARG  36  -3.856  -3.505  -0.315
  309    HD3  ARG  36          2HD       ARG  36  -2.695  -2.644  -1.305
  310    HE   ARG  36           HE       ARG  36  -2.311  -4.645  -2.425
  311   HH11  ARG  36          1HH1      ARG  36  -2.630  -7.977  -1.438
  312   HH12  ARG  36          2HH1      ARG  36  -2.231  -6.907  -2.740
  313   HH21  ARG  36          1HH2      ARG  36  -3.247  -7.113   0.627
  314   HH22  ARG  36          2HH2      ARG  36  -3.306  -5.397   0.865
  315    H    GLY  37           H        GLY  37  -0.744   0.427   1.506
  316    HA2  GLY  37          1HA       GLY  37  -2.980   1.860   2.570
  317    HA3  GLY  37          2HA       GLY  37  -1.524   2.131   3.507
  318    H    CYS  38           H        CYS  38  -1.759   4.415   2.732
  319    HA   CYS  38           HA       CYS  38  -0.614   4.665   0.045
  320    HB2  CYS  38          1HB       CYS  38  -2.647   6.483   1.379
  321    HB3  CYS  38          2HB       CYS  38  -1.793   6.875  -0.100
  322    H    ILE  39           H        ILE  39   0.780   6.680  -0.167
  323    HA   ILE  39           HA       ILE  39   1.654   7.853   2.318
  324    HB   ILE  39           HB       ILE  39   2.908   5.719   2.154
  325   HG12  ILE  39          1HG1      ILE  39   4.987   7.810   1.796
  326   HG13  ILE  39          2HG1      ILE  39   3.752   8.152   2.992
  327   HG21  ILE  39          1HG2      ILE  39   3.002   5.785  -0.390
  328   HG22  ILE  39          2HG2      ILE  39   4.353   6.928  -0.204
  329   HG23  ILE  39          3HG2      ILE  39   4.482   5.283   0.461
  330   HD11  ILE  39          1HD1      ILE  39   5.891   6.818   3.722
  331   HD12  ILE  39          2HD1      ILE  39   4.302   6.269   4.307
  332   HD13  ILE  39          3HD1      ILE  39   5.088   5.431   2.947
  333    H    ASP  40           H        ASP  40   3.271   9.644   1.875
  334    HA   ASP  40           HA       ASP  40   2.365  10.989  -0.477
  335    HB2  ASP  40          1HB       ASP  40   2.784  11.962   1.930
  336    HB3  ASP  40          2HB       ASP  40   4.473  11.996   1.466
  337    H    VAL  41           H        VAL  41   5.395   9.659   0.977
  338    HA   VAL  41           HA       VAL  41   6.655   9.908  -1.663
  339    HB   VAL  41           HB       VAL  41   7.845  10.430   1.066
  340   HG11  VAL  41          1HG1      VAL  41   9.665  11.001  -1.084
  341   HG12  VAL  41          2HG1      VAL  41   9.868   9.897   0.296
  342   HG13  VAL  41          3HG1      VAL  41   9.122   9.310  -1.209
  343   HG21  VAL  41          1HG2      VAL  41   7.203  12.152  -1.327
  344   HG22  VAL  41          2HG2      VAL  41   6.796  12.405   0.388
  345   HG23  VAL  41          3HG2      VAL  41   8.472  12.622  -0.170
  346    H    CYS  42           H        CYS  42   7.866   8.113  -2.348
  347    HA   CYS  42           HA       CYS  42   7.066   5.663  -1.296
  348    HB2  CYS  42          1HB       CYS  42   7.881   6.216  -3.669
  349    HB3  CYS  42          2HB       CYS  42   9.508   6.074  -3.035
  350    H    PRO  43           H        PRO  43   7.282   4.633   0.758
  351    HA   PRO  43           HA       PRO  43  10.039   5.514   2.073
  352   1HB   PRO  43          1HB       PRO  43   8.760   2.847   2.430
  353   2HB   PRO  43          2HB       PRO  43   9.012   4.097   3.597
  354   1HG   PRO  43          1HG       PRO  43   6.535   3.702   2.594
  355   2HG   PRO  43          2HG       PRO  43   7.102   5.329   2.805
  356   1HD   PRO  43          1HD       PRO  43   7.112   3.739   0.220
  357   2HD   PRO  43          2HD       PRO  43   6.503   5.345   0.494
  358    H    LYS  44           H        LYS  44  11.741   4.002   2.962
  359    HA   LYS  44           HA       LYS  44  13.424   3.219   0.852
  360    HB2  LYS  44          1HB       LYS  44  13.564   2.748   3.843
  361    HB3  LYS  44          2HB       LYS  44  14.847   2.330   2.724
  362    HG2  LYS  44          1HG       LYS  44  15.587   4.473   2.713
  363    HG3  LYS  44          2HG       LYS  44  14.027   5.042   2.156
  364    HD2  LYS  44          1HD       LYS  44  13.428   4.572   4.787
  365    HD3  LYS  44          2HD       LYS  44  15.134   4.946   4.938
  366    HE2  LYS  44          1HE       LYS  44  14.871   7.138   4.060
  367    HE3  LYS  44          2HE       LYS  44  13.358   6.748   3.266
  368    HZ1  LYS  44          1HZ       LYS  44  13.363   8.031   5.476
  369    HZ2  LYS  44          2HZ       LYS  44  12.223   6.891   5.220
  370    HZ3  LYS  44          3HZ       LYS  44  13.512   6.559   6.165
  371    H    ASN  45           H        ASN  45  14.551   0.776   1.585
  372    HA   ASN  45           HA       ASN  45  12.398  -1.111   1.723
  373    HB2  ASN  45          1HB       ASN  45  14.239  -0.868  -0.710
  374    HB3  ASN  45          2HB       ASN  45  13.301  -2.310  -0.375
  375   HD21  ASN  45          1HD2      ASN  45  13.213   1.072  -1.227
  376   HD22  ASN  45          2HD2      ASN  45  11.581   1.143  -1.804
  377    H    SER  46           H        SER  46  13.162  -2.995   2.774
  378    HA   SER  46           HA       SER  46  16.064  -3.165   3.032
  379    HB2  SER  46          1HB       SER  46  15.617  -4.245   5.272
  380    HB3  SER  46          2HB       SER  46  15.141  -2.561   5.182
  381    HG   SER  46           HG       SER  46  13.529  -4.012   6.185
  382    H    LEU  47           H        LEU  47  16.611  -5.604   3.874
  383    HA   LEU  47           HA       LEU  47  15.579  -7.292   1.780
  384    HB2  LEU  47          1HB       LEU  47  17.606  -7.926   3.925
  385    HB3  LEU  47          2HB       LEU  47  17.309  -8.821   2.446
  386    HG   LEU  47           HG       LEU  47  17.922  -6.120   1.727
  387   HD11  LEU  47          1HD1      LEU  47  20.240  -7.243   3.251
  388   HD12  LEU  47          2HD1      LEU  47  19.877  -5.564   2.790
  389   HD13  LEU  47          3HD1      LEU  47  18.986  -6.333   4.126
  390   HD21  LEU  47          1HD2      LEU  47  19.127  -7.148   0.144
  391   HD22  LEU  47          2HD2      LEU  47  20.001  -8.160   1.318
  392   HD23  LEU  47          3HD2      LEU  47  18.377  -8.637   0.766
  393    H    LEU  48           H        LEU  48  14.379  -6.340   4.710
  394    HA   LEU  48           HA       LEU  48  13.372  -9.013   5.361
  395    HB2  LEU  48          1HB       LEU  48  13.349  -6.493   7.026
  396    HB3  LEU  48          2HB       LEU  48  12.803  -8.079   7.531
  397    HG   LEU  48           HG       LEU  48  15.633  -7.784   6.597
  398   HD11  LEU  48          1HD1      LEU  48  16.065  -7.340   9.178
  399   HD12  LEU  48          2HD1      LEU  48  15.832  -6.011   8.016
  400   HD13  LEU  48          3HD1      LEU  48  14.482  -6.536   9.050
  401   HD21  LEU  48          1HD2      LEU  48  14.625  -9.994   7.171
  402   HD22  LEU  48          2HD2      LEU  48  16.056  -9.569   8.141
  403   HD23  LEU  48          3HD2      LEU  48  14.428  -9.418   8.844
  404    H    VAL  49           H        VAL  49  12.455  -5.627   4.574
  405    HA   VAL  49           HA       VAL  49   9.791  -6.665   3.921
  406    HB   VAL  49           HB       VAL  49   8.727  -4.817   4.902
  407   HG11  VAL  49          1HG1      VAL  49  10.855  -5.409   6.961
  408   HG12  VAL  49          2HG1      VAL  49   9.108  -5.152   7.192
  409   HG13  VAL  49          3HG1      VAL  49   9.694  -6.654   6.439
  410   HG21  VAL  49          1HG2      VAL  49   9.776  -2.856   5.762
  411   HG22  VAL  49          2HG2      VAL  49  11.397  -3.580   5.626
  412   HG23  VAL  49          3HG2      VAL  49  10.487  -3.153   4.157
  413    H    LYS  50           H        LYS  50   8.725  -5.517   2.165
  414    HA   LYS  50           HA       LYS  50  10.599  -3.890   0.596
  415    HB2  LYS  50          1HB       LYS  50  10.269  -6.312  -0.190
  416    HB3  LYS  50          2HB       LYS  50   8.635  -5.843  -0.616
  417    HG2  LYS  50          1HG       LYS  50   9.394  -4.938  -2.548
  418    HG3  LYS  50          2HG       LYS  50  10.361  -3.794  -1.637
  419    HD2  LYS  50          1HD       LYS  50  12.209  -4.822  -2.454
  420    HD3  LYS  50          2HD       LYS  50  11.815  -6.200  -1.447
  421    HE2  LYS  50          1HE       LYS  50  10.243  -6.956  -3.378
  422    HE3  LYS  50          2HE       LYS  50  11.046  -5.747  -4.360
  423    HZ1  LYS  50          1HZ       LYS  50  12.219  -7.712  -4.662
  424    HZ2  LYS  50          2HZ       LYS  50  13.160  -6.852  -3.642
  425    HZ3  LYS  50          3HZ       LYS  50  12.251  -8.084  -3.072
  426    H    TYR  51           H        TYR  51   9.602  -2.254  -0.762
  427    HA   TYR  51           HA       TYR  51   6.840  -1.648   0.049
  428    HB2  TYR  51          1HB       TYR  51   9.442  -0.054  -0.045
  429    HB3  TYR  51          2HB       TYR  51   7.946   0.806  -0.354
  430    HD1  TYR  51          1HD       TYR  51   6.716   1.672   1.436
  431    HD2  TYR  51          2HD       TYR  51   9.535  -1.460   2.170
  432    HE1  TYR  51          1HE       TYR  51   6.349   1.919   3.941
  433    HE2  TYR  51          2HE       TYR  51   9.159  -1.204   4.672
  434    HH   TYR  51           HH       TYR  51   8.312   0.987   6.148
  435    H    VAL  52           H        VAL  52   5.463  -1.342  -1.635
  436    HA   VAL  52           HA       VAL  52   6.696  -0.754  -4.237
  437    HB   VAL  52           HB       VAL  52   4.583  -2.700  -3.403
  438   HG11  VAL  52          1HG1      VAL  52   4.786  -1.492  -6.183
  439   HG12  VAL  52          2HG1      VAL  52   3.757  -2.865  -5.708
  440   HG13  VAL  52          3HG1      VAL  52   3.452  -1.246  -5.032
  441   HG21  VAL  52          1HG2      VAL  52   6.198  -4.127  -3.976
  442   HG22  VAL  52          2HG2      VAL  52   6.078  -3.553  -5.656
  443   HG23  VAL  52          3HG2      VAL  52   7.229  -2.787  -4.534
  444    H    CYS  53           H        CYS  53   6.343   1.387  -4.595
  445    HA   CYS  53           HA       CYS  53   3.802   2.486  -3.699
  446    HB2  CYS  53          1HB       CYS  53   6.130   4.044  -4.845
  447    HB3  CYS  53          2HB       CYS  53   4.790   4.646  -3.890
  448    H    CYS  54           H        CYS  54   2.316   3.420  -5.199
  449    HA   CYS  54           HA       CYS  54   3.063   3.323  -8.000
  450    HB2  CYS  54          1HB       CYS  54   0.819   2.209  -8.510
  451    HB3  CYS  54          2HB       CYS  54   2.098   1.183  -7.894
  452    H    ASN  55           H        ASN  55   2.024   4.989  -9.178
  453    HA   ASN  55           HA       ASN  55   0.564   6.832  -7.510
  454    HB2  ASN  55          1HB       ASN  55   0.942   8.443  -9.357
  455    HB3  ASN  55          2HB       ASN  55   2.454   7.669  -8.926
  456   HD21  ASN  55          1HD2      ASN  55   0.410   8.504 -11.401
  457   HD22  ASN  55          2HD2      ASN  55   1.005   7.487 -12.671
  458    H    THR  56           H        THR  56  -0.595   4.227  -8.548
  459    HA   THR  56           HA       THR  56  -2.644   5.292 -10.374
  460    HB   THR  56           HB       THR  56  -2.886   2.555 -10.462
  461    HG1  THR  56          1HG       THR  56  -0.661   1.789 -10.268
  462   HG21  THR  56          1HG2      THR  56  -1.938   2.699 -12.582
  463   HG22  THR  56          2HG2      THR  56  -2.095   4.445 -12.274
  464   HG23  THR  56          3HG2      THR  56  -0.537   3.629 -11.997
  465    H    ASP  57           H        ASP  57  -4.841   4.114 -10.089
  466    HA   ASP  57           HA       ASP  57  -5.503   4.533  -7.325
  467    HB2  ASP  57          1HB       ASP  57  -7.028   4.260  -9.919
  468    HB3  ASP  57          2HB       ASP  57  -7.887   3.958  -8.422
  469    H    ARG  58           H        ARG  58  -6.234   2.847  -5.934
  470    HA   ARG  58           HA       ARG  58  -6.337   0.823  -5.164
  471    HB2  ARG  58          1HB       ARG  58  -7.889   0.525  -7.768
  472    HB3  ARG  58          2HB       ARG  58  -7.752  -0.819  -6.653
  473    HG2  ARG  58          1HG       ARG  58  -9.642   0.100  -5.724
  474    HG3  ARG  58          2HG       ARG  58  -8.491   1.125  -4.890
  475    HD2  ARG  58          1HD       ARG  58 -10.135   2.604  -5.853
  476    HD3  ARG  58          2HD       ARG  58  -8.689   2.784  -6.828
  477    HE   ARG  58           HE       ARG  58  -9.800   1.794  -8.646
  478   HH11  ARG  58          1HH1      ARG  58 -13.012   0.445  -8.842
  479   HH12  ARG  58          2HH1      ARG  58 -11.622   0.955  -9.740
  480   HH21  ARG  58          1HH2      ARG  58 -13.024   0.614  -6.528
  481   HH22  ARG  58          2HH2      ARG  58 -11.644   1.250  -5.699
  482    H    CYS  59           H        CYS  59  -4.005   1.516  -7.007
  483    HA   CYS  59           HA       CYS  59  -3.377  -0.738  -8.545
  484    HB2  CYS  59          1HB       CYS  59  -1.021   0.203  -8.421
  485    HB3  CYS  59          2HB       CYS  59  -2.247   1.267  -9.080
  486    H    ASN  60           H        ASN  60  -2.668   0.298  -5.155
  487    HA   ASN  60           HA       ASN  60  -1.084  -2.000  -4.663
  488    HB2  ASN  60          1HB       ASN  60  -0.856  -1.116  -2.429
  489    HB3  ASN  60          2HB       ASN  60  -0.912   0.289  -3.477
  490   HD21  ASN  60          1HD2      ASN  60  -1.762  -0.482  -0.609
  491   HD22  ASN  60          2HD2      ASN  60  -3.336   0.214  -0.422
  492    H1   HOH 101          1H        HOH  61   5.003 -11.091   2.324
  493    H2   HOH 101          2H        HOH  61   3.968 -10.014   2.563
  Start of MODEL   19
    1    H1   LEU   1           H        LEU   1  -5.540  10.282  -4.635
    2    HA   LEU   1           HA       LEU   1  -7.049   8.420  -6.190
    3    HB2  LEU   1          1HB       LEU   1  -4.270   8.906  -5.454
    4    HB3  LEU   1          2HB       LEU   1  -4.676   7.201  -5.452
    5    HG   LEU   1           HG       LEU   1  -5.534   7.434  -7.782
    6   HD11  LEU   1          1HD1      LEU   1  -5.643  10.110  -7.287
    7   HD12  LEU   1          2HD1      LEU   1  -4.141   9.991  -8.237
    8   HD13  LEU   1          3HD1      LEU   1  -5.671   9.372  -8.907
    9   HD21  LEU   1          1HD2      LEU   1  -2.997   7.037  -6.929
   10   HD22  LEU   1          2HD2      LEU   1  -3.505   6.953  -8.634
   11   HD23  LEU   1          3HD2      LEU   1  -2.761   8.440  -7.999
   12    H    LYS   2           H        LYS   2  -6.989   5.998  -5.551
   13    HA   LYS   2           HA       LYS   2  -7.600   5.808  -2.684
   14    HB2  LYS   2          1HB       LYS   2  -9.064   4.618  -5.051
   15    HB3  LYS   2          2HB       LYS   2  -9.273   4.028  -3.413
   16    HG2  LYS   2          1HG       LYS   2 -10.023   6.245  -2.650
   17    HG3  LYS   2          2HG       LYS   2  -9.660   6.951  -4.212
   18    HD2  LYS   2          1HD       LYS   2 -11.327   5.119  -5.148
   19    HD3  LYS   2          2HD       LYS   2 -11.879   5.014  -3.489
   20    HE2  LYS   2          1HE       LYS   2 -12.405   7.428  -3.462
   21    HE3  LYS   2          2HE       LYS   2 -11.725   7.628  -5.064
   22    HZ1  LYS   2          1HZ       LYS   2 -14.291   6.824  -4.386
   23    HZ2  LYS   2          2HZ       LYS   2 -13.673   7.065  -5.878
   24    HZ3  LYS   2          3HZ       LYS   2 -13.588   5.587  -5.187
   25    H    CYS   3           H        CYS   3  -7.012   3.827  -1.634
   26    HA   CYS   3           HA       CYS   3  -5.255   2.132  -3.243
   27    HB2  CYS   3          1HB       CYS   3  -4.538   2.838  -0.400
   28    HB3  CYS   3          2HB       CYS   3  -3.527   2.139  -1.650
   29    H    ASN   4           H        ASN   4  -5.175  -0.107  -2.458
   30    HA   ASN   4           HA       ASN   4  -7.599  -0.766  -1.058
   31    HB2  ASN   4          1HB       ASN   4  -5.531  -2.733  -2.135
   32    HB3  ASN   4          2HB       ASN   4  -7.240  -3.016  -1.874
   33   HD21  ASN   4          1HD2      ASN   4  -6.020  -3.597  -4.258
   34   HD22  ASN   4          2HD2      ASN   4  -6.591  -2.551  -5.514
   35    H    LYS   5           H        LYS   5  -7.398  -2.634   0.647
   36    HA   LYS   5           HA       LYS   5  -5.148  -1.989   2.385
   37    HB2  LYS   5          1HB       LYS   5  -7.701  -3.503   3.006
   38    HB3  LYS   5          2HB       LYS   5  -6.499  -2.965   4.160
   39    HG2  LYS   5          1HG       LYS   5  -8.227  -1.177   2.387
   40    HG3  LYS   5          2HG       LYS   5  -8.387  -1.384   4.120
   41    HD2  LYS   5          1HD       LYS   5  -6.098  -0.058   2.612
   42    HD3  LYS   5          2HD       LYS   5  -7.180   0.680   3.776
   43    HE2  LYS   5          1HE       LYS   5  -6.193  -1.209   5.404
   44    HE3  LYS   5          2HE       LYS   5  -4.863  -1.197   4.264
   45    HZ1  LYS   5          1HZ       LYS   5  -4.225   0.457   5.625
   46    HZ2  LYS   5          2HZ       LYS   5  -5.132   1.368   4.619
   47    HZ3  LYS   5          3HZ       LYS   5  -5.739   0.889   6.058
   48    H    LEU   6           H        LEU   6  -4.863  -4.250   3.908
   49    HA   LEU   6           HA       LEU   6  -3.118  -5.776   2.524
   50    HB2  LEU   6          1HB       LEU   6  -3.754  -5.655   5.038
   51    HB3  LEU   6          2HB       LEU   6  -4.838  -6.983   4.668
   52    HG   LEU   6           HG       LEU   6  -3.059  -8.437   4.098
   53   HD11  LEU   6          1HD1      LEU   6  -1.324  -5.965   4.022
   54   HD12  LEU   6          2HD1      LEU   6  -0.656  -7.612   4.096
   55   HD13  LEU   6          3HD1      LEU   6  -1.668  -7.124   2.717
   56   HD21  LEU   6          1HD2      LEU   6  -1.822  -6.957   6.403
   57   HD22  LEU   6          2HD2      LEU   6  -3.418  -7.728   6.574
   58   HD23  LEU   6          3HD2      LEU   6  -1.999  -8.708   6.136
   59    H    VAL   7           H        VAL   7  -6.677  -6.273   2.837
   60    HA   VAL   7           HA       VAL   7  -6.428  -8.375   0.803
   61    HB   VAL   7           HB       VAL   7  -8.269  -7.902   3.109
   62   HG11  VAL   7          1HG1      VAL   7  -9.899  -8.041   1.394
   63   HG12  VAL   7          2HG1      VAL   7  -9.003  -9.319   0.536
   64   HG13  VAL   7          3HG1      VAL   7  -9.794  -9.677   2.091
   65   HG21  VAL   7          1HG2      VAL   7  -6.531 -10.096   2.059
   66   HG22  VAL   7          2HG2      VAL   7  -6.741  -9.496   3.721
   67   HG23  VAL   7          3HG2      VAL   7  -7.979 -10.546   2.992
   68    H    PRO   8           H        PRO   8  -6.478  -7.922  -1.411
   69    HA   PRO   8           HA       PRO   8  -7.767  -5.148  -1.889
   70   1HB   PRO   8          1HB       PRO   8  -8.143  -7.522  -3.687
   71   2HB   PRO   8          2HB       PRO   8  -7.371  -6.016  -4.035
   72   1HG   PRO   8          1HG       PRO   8  -5.840  -8.161  -3.504
   73   2HG   PRO   8          2HG       PRO   8  -5.409  -6.646  -2.775
   74   1HD   PRO   8          1HD       PRO   8  -6.902  -8.929  -1.464
   75   2HD   PRO   8          2HD       PRO   8  -5.573  -8.001  -0.835
   76    H    ILE   9           H        ILE   9  -9.909  -7.342  -0.474
   77    HA   ILE   9           HA       ILE   9 -12.158  -6.665  -2.151
   78    HB   ILE   9           HB       ILE   9 -11.467  -8.737  -0.344
   79   HG12  ILE   9          1HG1      ILE   9 -13.197  -9.913  -1.427
   80   HG13  ILE   9          2HG1      ILE   9 -14.108  -8.456  -1.775
   81   HG21  ILE   9          1HG2      ILE   9 -14.115  -7.480   0.403
   82   HG22  ILE   9          2HG2      ILE   9 -13.325  -8.899   1.129
   83   HG23  ILE   9          3HG2      ILE   9 -12.623  -7.279   1.352
   84   HD11  ILE   9          1HD1      ILE   9 -11.382  -8.363  -2.902
   85   HD12  ILE   9          2HD1      ILE   9 -12.346  -9.724  -3.525
   86   HD13  ILE   9          3HD1      ILE   9 -12.948  -8.057  -3.692
   87    H    ALA  10           H        ALA  10 -10.363  -4.875  -0.112
   88    HA   ALA  10           HA       ALA  10 -12.598  -3.170   0.507
   89    HB1  ALA  10          1HB       ALA  10 -11.325  -3.196   2.967
   90    HB2  ALA  10          2HB       ALA  10 -12.862  -4.009   2.591
   91    HB3  ALA  10          3HB       ALA  10 -11.335  -4.916   2.515
   92    H    TYR  11           H        TYR  11 -11.971  -1.052   0.316
   93    HA   TYR  11           HA       TYR  11  -9.165  -0.400   0.711
   94    HB2  TYR  11          1HB       TYR  11  -9.018   0.519  -1.571
   95    HB3  TYR  11          2HB       TYR  11  -9.637  -1.113  -1.734
   96    HD1  TYR  11          1HD       TYR  11 -10.067   2.174  -2.806
   97    HD2  TYR  11          2HD       TYR  11 -12.343  -1.237  -1.586
   98    HE1  TYR  11          1HE       TYR  11 -12.087   3.059  -4.072
   99    HE2  TYR  11          2HE       TYR  11 -14.355  -0.340  -2.857
  100    HH   TYR  11           HH       TYR  11 -15.215   1.508  -3.789
  101    H    LYS  12           H        LYS  12  -8.812   2.013   0.649
  102    HA   LYS  12           HA       LYS  12 -11.290   3.490   1.123
  103    HB2  LYS  12          1HB       LYS  12  -8.904   3.424   2.994
  104    HB3  LYS  12          2HB       LYS  12 -10.222   4.573   3.102
  105    HG2  LYS  12          1HG       LYS  12 -11.174   1.782   2.901
  106    HG3  LYS  12          2HG       LYS  12 -10.145   2.038   4.295
  107    HD2  LYS  12          1HD       LYS  12 -11.559   4.010   4.957
  108    HD3  LYS  12          2HD       LYS  12 -12.603   3.709   3.582
  109    HE2  LYS  12          1HE       LYS  12 -13.497   1.740   4.507
  110    HE3  LYS  12          2HE       LYS  12 -12.080   1.424   5.488
  111    HZ1  LYS  12          1HZ       LYS  12 -12.790   3.601   6.634
  112    HZ2  LYS  12          2HZ       LYS  12 -14.257   3.285   5.991
  113    HZ3  LYS  12          3HZ       LYS  12 -13.561   2.211   7.005
  114    H    THR  13           H        THR  13 -10.163   5.972   1.721
  115    HA   THR  13           HA       THR  13  -8.841   6.545  -0.830
  116    HB   THR  13           HB       THR  13  -9.992   8.614   1.063
  117    HG1  THR  13          1HG       THR  13 -11.368   6.821  -0.812
  118   HG21  THR  13          1HG2      THR  13 -10.695   9.669  -1.041
  119   HG22  THR  13          2HG2      THR  13  -8.969   9.255  -1.181
  120   HG23  THR  13          3HG2      THR  13 -10.197   8.233  -1.968
  121    H    CYS  14           H        CYS  14  -6.884   7.600  -1.001
  122    HA   CYS  14           HA       CYS  14  -5.104   7.168   1.113
  123    HB2  CYS  14          1HB       CYS  14  -4.734   8.950  -1.318
  124    HB3  CYS  14          2HB       CYS  14  -3.463   8.325  -0.286
  125    H    PRO  15           H        PRO  15  -5.041   7.933   3.286
  126    HA   PRO  15           HA       PRO  15  -6.800  10.546   3.385
  127   1HB   PRO  15          1HB       PRO  15  -5.090  10.361   5.565
  128   2HB   PRO  15          2HB       PRO  15  -6.502   9.392   5.338
  129   1HG   PRO  15          1HG       PRO  15  -3.592   8.723   4.732
  130   2HG   PRO  15          2HG       PRO  15  -4.821   7.719   5.433
  131   1HD   PRO  15          1HD       PRO  15  -4.203   7.443   2.808
  132   2HD   PRO  15          2HD       PRO  15  -5.825   7.187   3.384
  133    H    GLU  16           H        GLU  16  -5.929  12.455   4.963
  134    HA   GLU  16           HA       GLU  16  -4.873  14.312   3.236
  135    HB2  GLU  16          1HB       GLU  16  -4.966  14.312   6.283
  136    HB3  GLU  16          2HB       GLU  16  -4.602  15.725   5.314
  137    HG2  GLU  16          1HG       GLU  16  -6.967  14.677   4.167
  138    HG3  GLU  16          2HG       GLU  16  -7.203  14.496   5.894
  139    H    GLY  17           H        GLY  17  -2.819  14.740   2.541
  140    HA2  GLY  17          1HA       GLY  17  -0.542  15.130   2.946
  141    HA3  GLY  17          2HA       GLY  17  -0.573  14.000   4.285
  142    H    LYS  18           H        LYS  18  -2.053  11.857   2.925
  143    HA   LYS  18           HA       LYS  18   0.100  10.974   1.145
  144    HB2  LYS  18          1HB       LYS  18  -1.921   9.287   2.646
  145    HB3  LYS  18          2HB       LYS  18  -0.534   8.713   1.743
  146    HG2  LYS  18          1HG       LYS  18   1.007   9.449   3.350
  147    HG3  LYS  18          2HG       LYS  18  -0.037  10.735   3.923
  148    HD2  LYS  18          1HD       LYS  18  -1.607   8.761   4.726
  149    HD3  LYS  18          2HD       LYS  18  -0.170   7.772   4.561
  150    HE2  LYS  18          1HE       LYS  18   0.846   8.706   6.398
  151    HE3  LYS  18          2HE       LYS  18   0.314  10.326   5.997
  152    HZ1  LYS  18          1HZ       LYS  18  -0.681   9.081   8.006
  153    HZ2  LYS  18          2HZ       LYS  18  -1.642  10.028   7.084
  154    HZ3  LYS  18          3HZ       LYS  18  -1.670   8.405   6.896
  155    H    ASN  19           H        ASN  19  -0.310  10.440  -0.969
  156    HA   ASN  19           HA       ASN  19  -3.119  10.456  -1.731
  157    HB2  ASN  19          1HB       ASN  19  -2.310  12.607  -2.475
  158    HB3  ASN  19          2HB       ASN  19  -0.778  11.939  -3.007
  159   HD21  ASN  19          1HD2      ASN  19  -0.636  12.089  -5.108
  160   HD22  ASN  19          2HD2      ASN  19  -1.849  11.685  -6.276
  161    H    LEU  20           H        LEU  20   0.291   9.483  -2.275
  162    HA   LEU  20           HA       LEU  20  -0.353   7.765  -4.479
  163    HB2  LEU  20          1HB       LEU  20   2.123   8.369  -2.886
  164    HB3  LEU  20          2HB       LEU  20   2.082   7.031  -4.017
  165    HG   LEU  20           HG       LEU  20   1.126   9.587  -5.140
  166   HD11  LEU  20          1HD1      LEU  20   2.932  10.900  -4.907
  167   HD12  LEU  20          2HD1      LEU  20   3.234   9.913  -3.457
  168   HD13  LEU  20          3HD1      LEU  20   4.071   9.534  -4.981
  169   HD21  LEU  20          1HD2      LEU  20   3.324   8.403  -6.540
  170   HD22  LEU  20          2HD2      LEU  20   2.197   7.121  -6.040
  171   HD23  LEU  20          3HD2      LEU  20   1.609   8.494  -7.008
  172    H    CYS  21           H        CYS  21  -0.008   5.399  -4.439
  173    HA   CYS  21           HA       CYS  21  -0.929   4.352  -1.876
  174    HB2  CYS  21          1HB       CYS  21  -1.072   3.099  -4.638
  175    HB3  CYS  21          2HB       CYS  21  -1.710   2.400  -3.163
  176    H    TYR  22           H        TYR  22   0.290   2.758  -0.790
  177    HA   TYR  22           HA       TYR  22   2.759   1.901  -2.135
  178    HB2  TYR  22          1HB       TYR  22   3.979   2.633  -0.231
  179    HB3  TYR  22          2HB       TYR  22   2.699   3.829  -0.228
  180    HD1  TYR  22          1HD       TYR  22   1.486   4.179   1.730
  181    HD2  TYR  22          2HD       TYR  22   3.454   0.422   1.153
  182    HE1  TYR  22          1HE       TYR  22   0.831   3.465   4.080
  183    HE2  TYR  22          2HE       TYR  22   2.792  -0.277   3.506
  184    HH   TYR  22           HH       TYR  22   1.126   1.986   5.657
  185    H    LYS  23           H        LYS  23   3.629  -0.150  -1.368
  186    HA   LYS  23           HA       LYS  23   1.804  -1.687   0.309
  187    HB2  LYS  23          1HB       LYS  23   1.056  -2.148  -1.956
  188    HB3  LYS  23          2HB       LYS  23   2.691  -2.502  -2.473
  189    HG2  LYS  23          1HG       LYS  23   2.765  -4.383  -0.766
  190    HG3  LYS  23          2HG       LYS  23   1.082  -4.063  -0.397
  191    HD2  LYS  23          1HD       LYS  23   2.080  -4.717  -3.207
  192    HD3  LYS  23          2HD       LYS  23   1.494  -5.935  -2.091
  193    HE2  LYS  23          1HE       LYS  23  -0.725  -5.179  -2.197
  194    HE3  LYS  23          2HE       LYS  23  -0.262  -3.533  -2.581
  195    HZ1  LYS  23          1HZ       LYS  23  -1.156  -5.181  -4.382
  196    HZ2  LYS  23          2HZ       LYS  23  -0.063  -4.025  -4.753
  197    HZ3  LYS  23          3HZ       LYS  23   0.424  -5.565  -4.516
  198    H    MET  24           H        MET  24   2.864  -3.004   1.743
  199    HA   MET  24           HA       MET  24   5.745  -3.201   1.314
  200    HB2  MET  24          1HB       MET  24   4.049  -2.596   3.753
  201    HB3  MET  24          2HB       MET  24   5.544  -3.475   4.007
  202    HG2  MET  24          1HG       MET  24   6.880  -1.665   3.415
  203    HG3  MET  24          2HG       MET  24   5.729  -1.052   2.246
  204    HE1  MET  24          1HE       MET  24   5.885  -0.331   6.739
  205    HE2  MET  24          2HE       MET  24   5.125  -1.867   6.261
  206    HE3  MET  24          3HE       MET  24   6.797  -1.510   5.767
  207    H    PHE  25           H        PHE  25   6.793  -5.191   1.987
  208    HA   PHE  25           HA       PHE  25   4.914  -7.374   2.530
  209    HB2  PHE  25          1HB       PHE  25   7.230  -7.104   0.534
  210    HB3  PHE  25          2HB       PHE  25   6.629  -8.679   1.010
  211    HD1  PHE  25          1HD       PHE  25   5.497  -5.454  -0.461
  212    HD2  PHE  25          2HD       PHE  25   4.841  -9.633  -0.138
  213    HE1  PHE  25          1HE       PHE  25   3.728  -5.314  -2.236
  214    HE2  PHE  25          2HE       PHE  25   3.072  -9.493  -1.911
  215    HZ   PHE  25           HZ       PHE  25   2.536  -7.335  -2.939
  216    H    MET  26           H        MET  26   6.369  -9.470   3.081
  217    HA   MET  26           HA       MET  26   8.501  -8.527   4.836
  218    HB2  MET  26          1HB       MET  26   6.291 -10.589   5.352
  219    HB3  MET  26          2HB       MET  26   7.712 -10.471   6.372
  220    HG2  MET  26          1HG       MET  26   7.147  -8.032   6.795
  221    HG3  MET  26          2HG       MET  26   5.676  -8.246   5.868
  222    HE1  MET  26          1HE       MET  26   6.863 -10.232   9.779
  223    HE2  MET  26          2HE       MET  26   7.878  -9.410   8.571
  224    HE3  MET  26          3HE       MET  26   6.881  -8.455   9.694
  225    H    MET  27           H        MET  27  10.157 -10.215   5.367
  226    HA   MET  27           HA       MET  27  11.061 -11.451   3.094
  227    HB2  MET  27          1HB       MET  27  11.631 -11.645   6.063
  228    HB3  MET  27          2HB       MET  27  12.360 -12.854   5.024
  229    HG2  MET  27          1HG       MET  27  12.601  -9.863   4.466
  230    HG3  MET  27          2HG       MET  27  13.759 -10.730   5.454
  231    HE1  MET  27          1HE       MET  27  14.118 -10.084   1.202
  232    HE2  MET  27          2HE       MET  27  13.060  -9.304   2.404
  233    HE3  MET  27          3HE       MET  27  14.826  -9.291   2.629
  234    H    SER  28           H        SER  28   8.474 -12.391   5.149
  235    HA   SER  28           HA       SER  28   8.774 -15.149   5.094
  236    HB2  SER  28          1HB       SER  28   7.208 -14.311   6.650
  237    HB3  SER  28          2HB       SER  28   6.445 -13.260   5.474
  238    HG   SER  28           HG       SER  28   5.038 -14.818   5.098
  239    H    ASP  29           H        ASP  29   7.006 -12.836   2.931
  240    HA   ASP  29           HA       ASP  29   7.450 -14.533   0.727
  241    HB2  ASP  29          1HB       ASP  29   4.837 -14.563   0.255
  242    HB3  ASP  29          2HB       ASP  29   5.574 -15.821   1.228
  243    H    LEU  30           H        LEU  30   8.199 -12.718  -0.445
  244    HA   LEU  30           HA       LEU  30   6.912 -10.190  -0.230
  245    HB2  LEU  30          1HB       LEU  30   9.010 -11.209  -2.150
  246    HB3  LEU  30          2HB       LEU  30   8.511  -9.536  -1.987
  247    HG   LEU  30           HG       LEU  30   9.687 -11.129   0.302
  248   HD11  LEU  30          1HD1      LEU  30  11.442 -11.174  -1.229
  249   HD12  LEU  30          2HD1      LEU  30  11.060  -9.558  -1.870
  250   HD13  LEU  30          3HD1      LEU  30  11.780  -9.725  -0.251
  251   HD21  LEU  30          1HD2      LEU  30   8.977  -9.363   1.464
  252   HD22  LEU  30          2HD2      LEU  30  10.273  -8.449   0.656
  253   HD23  LEU  30          3HD2      LEU  30   8.621  -8.427  -0.009
  254    H    THR  31           H        THR  31   5.963 -13.052  -1.678
  255    HA   THR  31           HA       THR  31   4.972 -11.949  -4.143
  256    HB   THR  31           HB       THR  31   4.115 -14.235  -4.440
  257    HG1  THR  31          1HG       THR  31   5.042 -14.726  -1.727
  258   HG21  THR  31          1HG2      THR  31   6.355 -14.686  -4.816
  259   HG22  THR  31          2HG2      THR  31   6.866 -13.835  -3.339
  260   HG23  THR  31          3HG2      THR  31   6.251 -15.502  -3.239
  261    H    ILE  32           H        ILE  32   3.885 -12.174  -0.817
  262    HA   ILE  32           HA       ILE  32   1.360 -10.985  -1.696
  263    HB   ILE  32           HB       ILE  32   1.329 -12.841   0.629
  264   HG12  ILE  32          1HG1      ILE  32   1.270 -13.784  -2.252
  265   HG13  ILE  32          2HG1      ILE  32   2.514 -14.145  -1.073
  266   HG21  ILE  32          1HG2      ILE  32  -0.976 -13.225  -0.191
  267   HG22  ILE  32          2HG2      ILE  32  -0.635 -11.514   0.168
  268   HG23  ILE  32          3HG2      ILE  32  -0.668 -12.081  -1.520
  269   HD11  ILE  32          1HD1      ILE  32   0.449 -15.020   0.380
  270   HD12  ILE  32          2HD1      ILE  32  -0.322 -15.159  -1.218
  271   HD13  ILE  32          3HD1      ILE  32   1.181 -16.049  -0.874
  272    H    PRO  33           H        PRO  33   0.808  -8.871  -1.137
  273    HA   PRO  33           HA       PRO  33   2.927  -7.933   1.022
  274   1HB   PRO  33          1HB       PRO  33   0.682  -6.315   1.000
  275   2HB   PRO  33          2HB       PRO  33   1.891  -6.323  -0.234
  276   1HG   PRO  33          1HG       PRO  33  -0.810  -7.734  -0.179
  277   2HG   PRO  33          2HG       PRO  33  -0.038  -6.899  -1.491
  278   1HD   PRO  33          1HD       PRO  33   0.060  -9.621  -1.345
  279   2HD   PRO  33          2HD       PRO  33   1.338  -8.693  -2.070
  280    H    VAL  34           H        VAL  34   2.709  -6.851   3.097
  281    HA   VAL  34           HA       VAL  34   0.977  -8.393   4.904
  282    HB   VAL  34           HB       VAL  34   2.628  -8.027   6.613
  283   HG11  VAL  34          1HG1      VAL  34   2.901  -9.752   4.537
  284   HG12  VAL  34          2HG1      VAL  34   4.452  -8.884   4.438
  285   HG13  VAL  34          3HG1      VAL  34   3.989  -9.710   5.946
  286   HG21  VAL  34          1HG2      VAL  34   3.356  -5.776   5.288
  287   HG22  VAL  34          2HG2      VAL  34   4.354  -6.562   6.535
  288   HG23  VAL  34          3HG2      VAL  34   4.679  -6.865   4.812
  289    H    LYS  35           H        LYS  35   1.927  -5.248   3.635
  290    HA   LYS  35           HA       LYS  35  -0.184  -4.064   5.264
  291    HB2  LYS  35          1HB       LYS  35   1.782  -3.534   6.524
  292    HB3  LYS  35          2HB       LYS  35   2.664  -3.055   5.088
  293    HG2  LYS  35          1HG       LYS  35   1.639  -0.992   4.972
  294    HG3  LYS  35          2HG       LYS  35   0.086  -1.613   5.494
  295    HD2  LYS  35          1HD       LYS  35   2.096  -1.791   7.638
  296    HD3  LYS  35          2HD       LYS  35   1.917  -0.147   7.059
  297    HE2  LYS  35          1HE       LYS  35  -0.706  -0.758   7.220
  298    HE3  LYS  35          2HE       LYS  35  -0.123  -1.925   8.389
  299    HZ1  LYS  35          1HZ       LYS  35   1.194   0.238   9.138
  300    HZ2  LYS  35          2HZ       LYS  35  -0.160   0.939   8.552
  301    HZ3  LYS  35          3HZ       LYS  35  -0.266  -0.175   9.742
  302    H    ARG  36           H        ARG  36  -1.394  -2.505   4.178
  303    HA   ARG  36           HA       ARG  36  -0.394  -1.687   1.600
  304    HB2  ARG  36          1HB       ARG  36  -2.838  -3.390   2.086
  305    HB3  ARG  36          2HB       ARG  36  -2.956  -2.156   0.846
  306    HG2  ARG  36          1HG       ARG  36  -0.637  -3.147   0.016
  307    HG3  ARG  36          2HG       ARG  36  -1.099  -4.549   0.961
  308    HD2  ARG  36          1HD       ARG  36  -3.408  -3.754  -0.573
  309    HD3  ARG  36          2HD       ARG  36  -2.035  -3.768  -1.664
  310    HE   ARG  36           HE       ARG  36  -2.168  -6.130   0.074
  311   HH11  ARG  36          1HH1      ARG  36  -3.138  -8.216  -2.549
  312   HH12  ARG  36          2HH1      ARG  36  -2.562  -8.151  -0.918
  313   HH21  ARG  36          1HH2      ARG  36  -3.512  -6.253  -3.729
  314   HH22  ARG  36          2HH2      ARG  36  -3.213  -4.721  -2.977
  315    H    GLY  37           H        GLY  37  -0.612   0.527   1.554
  316    HA2  GLY  37          1HA       GLY  37  -3.097   1.754   2.388
  317    HA3  GLY  37          2HA       GLY  37  -1.725   2.125   3.413
  318    H    CYS  38           H        CYS  38  -1.971   4.391   2.700
  319    HA   CYS  38           HA       CYS  38  -0.848   4.768   0.018
  320    HB2  CYS  38          1HB       CYS  38  -2.841   6.514   1.496
  321    HB3  CYS  38          2HB       CYS  38  -2.024   6.987   0.020
  322    H    ILE  39           H        ILE  39   0.601   6.718  -0.144
  323    HA   ILE  39           HA       ILE  39   1.521   7.806   2.370
  324    HB   ILE  39           HB       ILE  39   2.737   5.653   2.091
  325   HG12  ILE  39          1HG1      ILE  39   4.871   7.684   1.822
  326   HG13  ILE  39          2HG1      ILE  39   3.629   8.074   2.994
  327   HG21  ILE  39          1HG2      ILE  39   4.217   6.948  -0.195
  328   HG22  ILE  39          2HG2      ILE  39   4.260   5.258   0.360
  329   HG23  ILE  39          3HG2      ILE  39   2.812   5.888  -0.462
  330   HD11  ILE  39          1HD1      ILE  39   3.924   5.701   3.937
  331   HD12  ILE  39          2HD1      ILE  39   5.369   5.577   2.904
  332   HD13  ILE  39          3HD1      ILE  39   5.292   6.813   4.184
  333    H    ASP  40           H        ASP  40   3.173   9.582   1.954
  334    HA   ASP  40           HA       ASP  40   2.237  11.027  -0.329
  335    HB2  ASP  40          1HB       ASP  40   3.633  12.880   0.645
  336    HB3  ASP  40          2HB       ASP  40   2.455  12.235   1.770
  337    H    VAL  41           H        VAL  41   5.296   9.652   1.036
  338    HA   VAL  41           HA       VAL  41   6.490   9.927  -1.633
  339    HB   VAL  41           HB       VAL  41   7.716  10.458   1.075
  340   HG11  VAL  41          1HG1      VAL  41   9.582  10.965  -1.019
  341   HG12  VAL  41          2HG1      VAL  41   9.705   9.799   0.319
  342   HG13  VAL  41          3HG1      VAL  41   8.972   9.305  -1.225
  343   HG21  VAL  41          1HG2      VAL  41   8.136  12.667   0.254
  344   HG22  VAL  41          2HG2      VAL  41   7.640  12.217  -1.395
  345   HG23  VAL  41          3HG2      VAL  41   6.430  12.292  -0.092
  346    H    CYS  42           H        CYS  42   7.637   8.130  -2.385
  347    HA   CYS  42           HA       CYS  42   6.887   5.675  -1.296
  348    HB2  CYS  42          1HB       CYS  42   7.529   6.197  -3.709
  349    HB3  CYS  42          2HB       CYS  42   9.203   6.123  -3.196
  350    H    PRO  43           H        PRO  43   7.228   4.677   0.781
  351    HA   PRO  43           HA       PRO  43  10.197   5.336   1.755
  352   1HB   PRO  43          1HB       PRO  43   8.782   2.771   2.259
  353   2HB   PRO  43          2HB       PRO  43   9.251   3.994   3.386
  354   1HG   PRO  43          1HG       PRO  43   6.650   3.756   2.681
  355   2HG   PRO  43          2HG       PRO  43   7.338   5.341   2.843
  356   1HD   PRO  43          1HD       PRO  43   6.964   3.796   0.256
  357   2HD   PRO  43          2HD       PRO  43   6.463   5.421   0.618
  358    H    LYS  44           H        LYS  44  12.104   4.113   2.102
  359    HA   LYS  44           HA       LYS  44  13.003   2.786  -0.262
  360    HB2  LYS  44          1HB       LYS  44  14.302   3.344   2.418
  361    HB3  LYS  44          2HB       LYS  44  15.120   2.547   1.089
  362    HG2  LYS  44          1HG       LYS  44  14.182   4.690  -0.271
  363    HG3  LYS  44          2HG       LYS  44  14.218   5.410   1.327
  364    HD2  LYS  44          1HD       LYS  44  16.497   5.526   1.344
  365    HD3  LYS  44          2HD       LYS  44  16.672   3.880   0.771
  366    HE2  LYS  44          1HE       LYS  44  15.916   6.217  -1.045
  367    HE3  LYS  44          2HE       LYS  44  17.565   5.669  -0.815
  368    HZ1  LYS  44          1HZ       LYS  44  15.752   3.562  -1.441
  369    HZ2  LYS  44          2HZ       LYS  44  15.858   4.686  -2.622
  370    HZ3  LYS  44          3HZ       LYS  44  17.203   3.918  -2.103
  371    H    ASN  45           H        ASN  45  13.863   0.580  -0.339
  372    HA   ASN  45           HA       ASN  45  12.098  -1.159   1.085
  373    HB2  ASN  45          1HB       ASN  45  14.359  -1.934  -0.823
  374    HB3  ASN  45          2HB       ASN  45  12.956  -2.898  -0.408
  375   HD21  ASN  45          1HD2      ASN  45  14.284  -0.565  -2.471
  376   HD22  ASN  45          2HD2      ASN  45  12.882  -0.169  -3.408
  377    H    SER  46           H        SER  46  13.152  -3.285   2.033
  378    HA   SER  46           HA       SER  46  15.786  -2.724   3.110
  379    HB2  SER  46          1HB       SER  46  14.992  -3.586   5.359
  380    HB3  SER  46          2HB       SER  46  14.353  -2.018   4.907
  381    HG   SER  46           HG       SER  46  12.345  -2.891   4.493
  382    H    LEU  47           H        LEU  47  16.560  -4.866   4.366
  383    HA   LEU  47           HA       LEU  47  16.142  -7.008   2.471
  384    HB2  LEU  47          1HB       LEU  47  17.982  -6.945   4.858
  385    HB3  LEU  47          2HB       LEU  47  18.047  -8.025   3.481
  386    HG   LEU  47           HG       LEU  47  18.221  -5.376   2.460
  387   HD11  LEU  47          1HD1      LEU  47  20.431  -5.748   4.451
  388   HD12  LEU  47          2HD1      LEU  47  19.856  -4.269   3.643
  389   HD13  LEU  47          3HD1      LEU  47  18.900  -4.995   4.958
  390   HD21  LEU  47          1HD2      LEU  47  20.730  -6.370   2.197
  391   HD22  LEU  47          2HD2      LEU  47  19.814  -7.865   2.507
  392   HD23  LEU  47          3HD2      LEU  47  19.358  -6.807   1.149
  393    H    LEU  48           H        LEU  48  14.169  -5.957   4.705
  394    HA   LEU  48           HA       LEU  48  13.592  -8.657   5.701
  395    HB2  LEU  48          1HB       LEU  48  13.250  -6.090   7.255
  396    HB3  LEU  48          2HB       LEU  48  12.847  -7.706   7.803
  397    HG   LEU  48           HG       LEU  48  15.671  -6.998   7.019
  398   HD11  LEU  48          1HD1      LEU  48  14.168  -6.006   9.329
  399   HD12  LEU  48          2HD1      LEU  48  15.661  -6.868   9.768
  400   HD13  LEU  48          3HD1      LEU  48  15.729  -5.480   8.656
  401   HD21  LEU  48          1HD2      LEU  48  15.825  -9.208   7.363
  402   HD22  LEU  48          2HD2      LEU  48  15.786  -8.775   9.089
  403   HD23  LEU  48          3HD2      LEU  48  14.292  -9.280   8.264
  404    H    VAL  49           H        VAL  49  12.359  -5.349   4.915
  405    HA   VAL  49           HA       VAL  49   9.853  -6.659   4.118
  406    HB   VAL  49           HB       VAL  49  10.359  -4.485   6.008
  407   HG11  VAL  49          1HG1      VAL  49   8.270  -4.068   3.842
  408   HG12  VAL  49          2HG1      VAL  49   8.420  -3.110   5.334
  409   HG13  VAL  49          3HG1      VAL  49   9.721  -3.075   4.119
  410   HG21  VAL  49          1HG2      VAL  49   7.617  -5.371   5.833
  411   HG22  VAL  49          2HG2      VAL  49   8.715  -6.770   5.755
  412   HG23  VAL  49          3HG2      VAL  49   8.811  -5.639   7.125
  413    H    LYS  50           H        LYS  50   8.868  -5.853   2.203
  414    HA   LYS  50           HA       LYS  50  10.725  -4.262   0.585
  415    HB2  LYS  50          1HB       LYS  50  10.126  -6.621  -0.121
  416    HB3  LYS  50          2HB       LYS  50   8.489  -6.058  -0.386
  417    HG2  LYS  50          1HG       LYS  50   9.124  -4.620  -2.162
  418    HG3  LYS  50          2HG       LYS  50  10.795  -4.544  -1.640
  419    HD2  LYS  50          1HD       LYS  50  11.363  -6.530  -2.679
  420    HD3  LYS  50          2HD       LYS  50   9.812  -7.276  -2.348
  421    HE2  LYS  50          1HE       LYS  50   9.457  -6.950  -4.594
  422    HE3  LYS  50          2HE       LYS  50   9.006  -5.333  -4.096
  423    HZ1  LYS  50          1HZ       LYS  50  10.605  -4.785  -5.531
  424    HZ2  LYS  50          2HZ       LYS  50  11.628  -5.085  -4.293
  425    HZ3  LYS  50          3HZ       LYS  50  11.381  -6.220  -5.440
  426    H    TYR  51           H        TYR  51   9.668  -2.746  -1.017
  427    HA   TYR  51           HA       TYR  51   7.107  -1.731  -0.027
  428    HB2  TYR  51          1HB       TYR  51   9.847  -0.403  -0.319
  429    HB3  TYR  51          2HB       TYR  51   8.413   0.581  -0.525
  430    HD1  TYR  51          1HD       TYR  51   7.077   1.259   1.360
  431    HD2  TYR  51          2HD       TYR  51  10.325  -1.476   1.888
  432    HE1  TYR  51          1HE       TYR  51   6.934   1.564   3.879
  433    HE2  TYR  51          2HE       TYR  51  10.170  -1.162   4.407
  434    HH   TYR  51           HH       TYR  51   7.784   1.075   5.801
  435    H    VAL  52           H        VAL  52   5.733  -1.055  -1.641
  436    HA   VAL  52           HA       VAL  52   6.895  -0.585  -4.277
  437    HB   VAL  52           HB       VAL  52   4.443  -2.285  -4.013
  438   HG11  VAL  52          1HG1      VAL  52   6.600  -1.930  -6.116
  439   HG12  VAL  52          2HG1      VAL  52   5.329  -3.173  -6.200
  440   HG13  VAL  52          3HG1      VAL  52   4.890  -1.448  -6.214
  441   HG21  VAL  52          1HG2      VAL  52   6.034  -3.465  -2.632
  442   HG22  VAL  52          2HG2      VAL  52   5.893  -4.311  -4.192
  443   HG23  VAL  52          3HG2      VAL  52   7.307  -3.281  -3.863
  444    H    CYS  53           H        CYS  53   6.291   1.457  -4.769
  445    HA   CYS  53           HA       CYS  53   3.679   2.324  -3.782
  446    HB2  CYS  53          1HB       CYS  53   5.851   4.167  -4.791
  447    HB3  CYS  53          2HB       CYS  53   4.468   4.554  -3.786
  448    H    CYS  54           H        CYS  54   2.245   3.424  -5.299
  449    HA   CYS  54           HA       CYS  54   3.062   3.342  -8.082
  450    HB2  CYS  54          1HB       CYS  54   0.807   2.282  -8.659
  451    HB3  CYS  54          2HB       CYS  54   2.052   1.222  -8.030
  452    H    ASN  55           H        ASN  55   2.046   5.015  -9.287
  453    HA   ASN  55           HA       ASN  55   0.615   6.892  -7.630
  454    HB2  ASN  55          1HB       ASN  55   1.032   8.488  -9.485
  455    HB3  ASN  55          2HB       ASN  55   2.527   7.693  -9.033
  456   HD21  ASN  55          1HD2      ASN  55   0.487   8.516 -11.532
  457   HD22  ASN  55          2HD2      ASN  55   1.091   7.490 -12.789
  458    H    THR  56           H        THR  56  -0.623   4.328  -8.615
  459    HA   THR  56           HA       THR  56  -2.638   5.431 -10.462
  460    HB   THR  56           HB       THR  56  -2.917   2.692 -10.563
  461    HG1  THR  56          1HG       THR  56  -0.663   1.933 -10.448
  462   HG21  THR  56          1HG2      THR  56  -2.479   4.185 -12.548
  463   HG22  THR  56          2HG2      THR  56  -0.769   4.278 -12.064
  464   HG23  THR  56          3HG2      THR  56  -1.466   2.722 -12.574
  465    H    ASP  57           H        ASP  57  -4.840   4.201 -10.183
  466    HA   ASP  57           HA       ASP  57  -5.501   4.639  -7.416
  467    HB2  ASP  57          1HB       ASP  57  -6.985   4.480 -10.023
  468    HB3  ASP  57          2HB       ASP  57  -7.880   4.020  -8.589
  469    H    ARG  58           H        ARG  58  -6.194   2.946  -6.026
  470    HA   ARG  58           HA       ARG  58  -6.325   0.919  -5.270
  471    HB2  ARG  58          1HB       ARG  58  -7.820   0.492  -7.904
  472    HB3  ARG  58          2HB       ARG  58  -7.818  -0.683  -6.605
  473    HG2  ARG  58          1HG       ARG  58  -9.396   0.474  -5.453
  474    HG3  ARG  58          2HG       ARG  58  -8.458   1.951  -5.533
  475    HD2  ARG  58          1HD       ARG  58 -10.624   2.287  -6.657
  476    HD3  ARG  58          2HD       ARG  58  -9.330   2.392  -7.835
  477    HE   ARG  58           HE       ARG  58 -10.098   0.413  -8.846
  478   HH11  ARG  58          1HH1      ARG  58 -12.742  -1.676  -7.940
  479   HH12  ARG  58          2HH1      ARG  58 -11.589  -1.287  -9.172
  480   HH21  ARG  58          1HH2      ARG  58 -12.772  -0.471  -5.957
  481   HH22  ARG  58          2HH2      ARG  58 -11.641   0.818  -5.711
  482    H    CYS  59           H        CYS  59  -4.013   1.616  -7.165
  483    HA   CYS  59           HA       CYS  59  -3.404  -0.639  -8.697
  484    HB2  CYS  59          1HB       CYS  59  -1.043   0.293  -8.600
  485    HB3  CYS  59          2HB       CYS  59  -2.274   1.366  -9.239
  486    H    ASN  60           H        ASN  60  -2.822   0.333  -5.284
  487    HA   ASN  60           HA       ASN  60  -1.187  -1.958  -4.818
  488    HB2  ASN  60          1HB       ASN  60  -0.948  -1.085  -2.577
  489    HB3  ASN  60          2HB       ASN  60  -0.968   0.317  -3.628
  490   HD21  ASN  60          1HD2      ASN  60  -1.834  -0.407  -0.759
  491   HD22  ASN  60          2HD2      ASN  60  -3.396   0.320  -0.581
  492    H1   HOH 101          1H        HOH  61   4.775 -11.472   2.707
  493    H2   HOH 101          2H        HOH  61   3.775 -10.367   2.973
  Start of MODEL   20
    1    H1   LEU   1           H        LEU   1  -5.094  10.197  -4.913
    2    HA   LEU   1           HA       LEU   1  -6.702   8.361  -6.189
    3    HB2  LEU   1          1HB       LEU   1  -3.951   8.815  -5.747
    4    HB3  LEU   1          2HB       LEU   1  -4.254   7.152  -5.285
    5    HG   LEU   1           HG       LEU   1  -5.315   6.767  -7.514
    6   HD11  LEU   1          1HD1      LEU   1  -4.110   9.059  -8.833
    7   HD12  LEU   1          2HD1      LEU   1  -5.756   8.393  -8.964
    8   HD13  LEU   1          3HD1      LEU   1  -5.364   9.545  -7.667
    9   HD21  LEU   1          1HD2      LEU   1  -3.275   6.480  -8.684
   10   HD22  LEU   1          2HD2      LEU   1  -2.488   7.801  -7.789
   11   HD23  LEU   1          3HD2      LEU   1  -2.899   6.283  -6.956
   12    H    LYS   2           H        LYS   2  -6.984   5.998  -5.668
   13    HA   LYS   2           HA       LYS   2  -7.627   5.757  -2.815
   14    HB2  LYS   2          1HB       LYS   2  -8.917   4.646  -5.305
   15    HB3  LYS   2          2HB       LYS   2  -9.174   3.894  -3.743
   16    HG2  LYS   2          1HG       LYS   2 -10.959   5.458  -3.942
   17    HG3  LYS   2          2HG       LYS   2  -9.816   6.244  -2.871
   18    HD2  LYS   2          1HD       LYS   2  -9.687   7.998  -4.298
   19    HD3  LYS   2          2HD       LYS   2  -9.026   6.943  -5.531
   20    HE2  LYS   2          1HE       LYS   2 -11.968   6.682  -5.182
   21    HE3  LYS   2          2HE       LYS   2 -11.457   8.272  -5.710
   22    HZ1  LYS   2          1HZ       LYS   2  -9.995   6.532  -7.199
   23    HZ2  LYS   2          2HZ       LYS   2 -11.480   5.855  -7.154
   24    HZ3  LYS   2          3HZ       LYS   2 -11.294   7.382  -7.704
   25    H    CYS   3           H        CYS   3  -7.035   3.855  -1.676
   26    HA   CYS   3           HA       CYS   3  -5.174   2.134  -3.139
   27    HB2  CYS   3          1HB       CYS   3  -4.691   2.991  -0.277
   28    HB3  CYS   3          2HB       CYS   3  -3.600   2.141  -1.353
   29    H    ASN   4           H        ASN   4  -5.208  -0.094  -2.423
   30    HA   ASN   4           HA       ASN   4  -7.678  -0.741  -1.105
   31    HB2  ASN   4          1HB       ASN   4  -5.640  -2.793  -2.035
   32    HB3  ASN   4          2HB       ASN   4  -7.387  -2.931  -2.005
   33   HD21  ASN   4          1HD2      ASN   4  -5.548  -3.417  -4.178
   34   HD22  ASN   4          2HD2      ASN   4  -5.988  -2.378  -5.493
   35    H    LYS   5           H        LYS   5  -7.707  -2.258   0.778
   36    HA   LYS   5           HA       LYS   5  -5.419  -1.810   2.497
   37    HB2  LYS   5          1HB       LYS   5  -8.138  -3.037   3.050
   38    HB3  LYS   5          2HB       LYS   5  -6.905  -2.718   4.255
   39    HG2  LYS   5          1HG       LYS   5  -8.453  -0.700   2.586
   40    HG3  LYS   5          2HG       LYS   5  -8.398  -0.838   4.331
   41    HD2  LYS   5          1HD       LYS   5  -6.110   0.033   2.507
   42    HD3  LYS   5          2HD       LYS   5  -7.006   1.056   3.614
   43    HE2  LYS   5          1HE       LYS   5  -6.168  -0.878   5.362
   44    HE3  LYS   5          2HE       LYS   5  -4.862  -0.958   4.195
   45    HZ1  LYS   5          1HZ       LYS   5  -4.992   1.616   4.459
   46    HZ2  LYS   5          2HZ       LYS   5  -5.635   1.240   5.913
   47    HZ3  LYS   5          3HZ       LYS   5  -4.145   0.704   5.515
   48    H    LEU   6           H        LEU   6  -5.005  -3.880   4.041
   49    HA   LEU   6           HA       LEU   6  -3.540  -5.649   2.616
   50    HB2  LEU   6          1HB       LEU   6  -3.763  -5.215   5.152
   51    HB3  LEU   6          2HB       LEU   6  -4.987  -6.468   5.120
   52    HG   LEU   6           HG       LEU   6  -3.413  -8.125   4.405
   53   HD11  LEU   6          1HD1      LEU   6  -1.499  -5.818   4.013
   54   HD12  LEU   6          2HD1      LEU   6  -0.978  -7.518   4.096
   55   HD13  LEU   6          3HD1      LEU   6  -2.085  -6.989   2.807
   56   HD21  LEU   6          1HD2      LEU   6  -3.477  -7.558   6.814
   57   HD22  LEU   6          2HD2      LEU   6  -1.903  -8.204   6.288
   58   HD23  LEU   6          3HD2      LEU   6  -2.099  -6.457   6.567
   59    H    VAL   7           H        VAL   7  -7.035  -5.891   3.472
   60    HA   VAL   7           HA       VAL   7  -7.181  -8.314   1.845
   61    HB   VAL   7           HB       VAL   7  -8.817  -7.089   4.027
   62   HG11  VAL   7          1HG1      VAL   7  -9.868  -8.926   1.862
   63   HG12  VAL   7          2HG1      VAL   7 -10.611  -8.820   3.476
   64   HG13  VAL   7          3HG1      VAL   7 -10.544  -7.381   2.430
   65   HG21  VAL   7          1HG2      VAL   7  -8.671  -9.978   3.951
   66   HG22  VAL   7          2HG2      VAL   7  -7.048  -9.268   3.787
   67   HG23  VAL   7          3HG2      VAL   7  -8.068  -8.845   5.183
   68    H    PRO   8           H        PRO   8  -7.111  -8.197  -0.440
   69    HA   PRO   8           HA       PRO   8  -7.930  -5.316  -1.278
   70   1HB   PRO   8          1HB       PRO   8  -8.468  -7.770  -2.913
   71   2HB   PRO   8          2HB       PRO   8  -7.439  -6.432  -3.278
   72   1HG   PRO   8          1HG       PRO   8  -6.326  -8.725  -2.420
   73   2HG   PRO   8          2HG       PRO   8  -5.737  -7.229  -1.765
   74   1HD   PRO   8          1HD       PRO   8  -7.711  -9.123  -0.460
   75   2HD   PRO   8          2HD       PRO   8  -6.302  -8.379   0.238
   76    H    ILE   9           H        ILE   9 -10.474  -7.188   0.012
   77    HA   ILE   9           HA       ILE   9 -12.426  -6.191  -1.894
   78    HB   ILE   9           HB       ILE   9 -13.953  -7.646  -0.886
   79   HG12  ILE   9          1HG1      ILE   9 -12.648  -8.872   1.295
   80   HG13  ILE   9          2HG1      ILE   9 -12.420  -7.149   1.516
   81   HG21  ILE   9          1HG2      ILE   9 -11.470  -8.565  -1.828
   82   HG22  ILE   9          2HG2      ILE   9 -11.863  -9.579  -0.419
   83   HG23  ILE   9          3HG2      ILE   9 -13.014  -9.451  -1.771
   84   HD11  ILE   9          1HD1      ILE   9 -14.593  -8.224   2.469
   85   HD12  ILE   9          2HD1      ILE   9 -14.754  -6.705   1.552
   86   HD13  ILE   9          3HD1      ILE   9 -15.148  -8.259   0.778
   87    H    ALA  10           H        ALA  10 -10.684  -4.605   0.212
   88    HA   ALA  10           HA       ALA  10 -12.849  -2.832   0.899
   89    HB1  ALA  10          1HB       ALA  10 -11.166  -3.427   3.255
   90    HB2  ALA  10          2HB       ALA  10 -12.925  -3.181   3.138
   91    HB3  ALA  10          3HB       ALA  10 -12.220  -4.770   2.754
   92    H    TYR  11           H        TYR  11 -12.101  -0.882   0.251
   93    HA   TYR  11           HA       TYR  11  -9.282  -0.285   0.810
   94    HB2  TYR  11          1HB       TYR  11  -9.090   0.558  -1.472
   95    HB3  TYR  11          2HB       TYR  11  -9.897  -0.990  -1.634
   96    HD1  TYR  11          1HD       TYR  11 -10.016   2.436  -2.501
   97    HD2  TYR  11          2HD       TYR  11 -12.543  -0.902  -1.613
   98    HE1  TYR  11          1HE       TYR  11 -11.942   3.558  -3.725
   99    HE2  TYR  11          2HE       TYR  11 -14.459   0.231  -2.840
  100    HH   TYR  11           HH       TYR  11 -14.628   3.321  -3.453
  101    H    LYS  12           H        LYS  12  -8.828   2.109   0.751
  102    HA   LYS  12           HA       LYS  12 -11.233   3.695   1.242
  103    HB2  LYS  12          1HB       LYS  12  -8.891   3.352   3.124
  104    HB3  LYS  12          2HB       LYS  12  -9.944   4.753   3.186
  105    HG2  LYS  12          1HG       LYS  12 -11.430   2.192   3.050
  106    HG3  LYS  12          2HG       LYS  12 -10.408   2.317   4.467
  107    HD2  LYS  12          1HD       LYS  12 -12.169   3.469   5.366
  108    HD3  LYS  12          2HD       LYS  12 -11.528   4.826   4.463
  109    HE2  LYS  12          1HE       LYS  12 -13.117   3.311   2.621
  110    HE3  LYS  12          2HE       LYS  12 -14.052   3.428   4.098
  111    HZ1  LYS  12          1HZ       LYS  12 -14.287   5.304   2.510
  112    HZ2  LYS  12          2HZ       LYS  12 -13.907   5.752   4.034
  113    HZ3  LYS  12          3HZ       LYS  12 -12.761   5.757   2.871
  114    H    THR  13           H        THR  13  -9.989   6.120   1.842
  115    HA   THR  13           HA       THR  13  -8.662   6.643  -0.718
  116    HB   THR  13           HB       THR  13 -10.329   8.232  -0.651
  117    HG1  THR  13          1HG       THR  13  -8.713   9.231   1.579
  118   HG21  THR  13          1HG2      THR  13 -10.277   7.974   2.403
  119   HG22  THR  13          2HG2      THR  13 -11.388   9.021   1.489
  120   HG23  THR  13          3HG2      THR  13 -11.491   7.254   1.320
  121    H    CYS  14           H        CYS  14  -6.706   7.773  -0.888
  122    HA   CYS  14           HA       CYS  14  -4.857   7.132   1.099
  123    HB2  CYS  14          1HB       CYS  14  -4.571   9.159  -1.144
  124    HB3  CYS  14          2HB       CYS  14  -3.262   8.435  -0.230
  125    H    PRO  15           H        PRO  15  -4.797   7.649   3.360
  126    HA   PRO  15           HA       PRO  15  -6.607  10.212   3.710
  127   1HB   PRO  15          1HB       PRO  15  -4.978   9.785   5.913
  128   2HB   PRO  15          2HB       PRO  15  -6.359   8.825   5.514
  129   1HG   PRO  15          1HG       PRO  15  -3.412   8.287   4.944
  130   2HG   PRO  15          2HG       PRO  15  -4.642   7.185   5.476
  131   1HD   PRO  15          1HD       PRO  15  -3.927   7.240   2.859
  132   2HD   PRO  15          2HD       PRO  15  -5.557   6.876   3.345
  133    H    GLU  16           H        GLU  16  -5.584  11.790   5.693
  134    HA   GLU  16           HA       GLU  16  -4.614  13.929   4.215
  135    HB2  GLU  16          1HB       GLU  16  -4.526  13.545   7.240
  136    HB3  GLU  16          2HB       GLU  16  -4.433  15.076   6.394
  137    HG2  GLU  16          1HG       GLU  16  -6.797  13.306   5.798
  138    HG3  GLU  16          2HG       GLU  16  -6.763  14.104   7.358
  139    H    GLY  17           H        GLY  17  -2.605  14.061   3.310
  140    HA2  GLY  17          1HA       GLY  17  -0.311  14.445   3.580
  141    HA3  GLY  17          2HA       GLY  17  -0.299  13.446   5.019
  142    H    LYS  18           H        LYS  18  -2.220  12.088   2.479
  143    HA   LYS  18           HA       LYS  18   0.030  10.643   1.341
  144    HB2  LYS  18          1HB       LYS  18  -2.281   9.015   2.343
  145    HB3  LYS  18          2HB       LYS  18  -0.644   8.516   1.971
  146    HG2  LYS  18          1HG       LYS  18  -1.240  10.438   4.255
  147    HG3  LYS  18          2HG       LYS  18  -1.303   8.702   4.480
  148    HD2  LYS  18          1HD       LYS  18   0.998   8.438   4.249
  149    HD3  LYS  18          2HD       LYS  18   1.154   9.777   3.131
  150    HE2  LYS  18          1HE       LYS  18   0.400  11.184   5.325
  151    HE3  LYS  18          2HE       LYS  18   1.115   9.807   6.139
  152    HZ1  LYS  18          1HZ       LYS  18   2.948  10.317   4.307
  153    HZ2  LYS  18          2HZ       LYS  18   2.382  11.829   4.549
  154    HZ3  LYS  18          3HZ       LYS  18   2.972  10.967   5.804
  155    H    ASN  19           H        ASN  19  -0.385   9.851  -0.765
  156    HA   ASN  19           HA       ASN  19  -3.057  10.306  -1.761
  157    HB2  ASN  19          1HB       ASN  19  -1.921  12.416  -2.298
  158    HB3  ASN  19          2HB       ASN  19  -0.516  11.567  -2.910
  159   HD21  ASN  19          1HD2      ASN  19  -0.385  11.182  -4.991
  160   HD22  ASN  19          2HD2      ASN  19  -1.671  11.252  -6.148
  161    H    LEU  20           H        LEU  20   0.361   9.240  -2.294
  162    HA   LEU  20           HA       LEU  20  -0.358   7.530  -4.480
  163    HB2  LEU  20          1HB       LEU  20   2.190   7.931  -2.910
  164    HB3  LEU  20          2HB       LEU  20   2.037   6.804  -4.243
  165    HG   LEU  20           HG       LEU  20   1.085   9.357  -5.128
  166   HD11  LEU  20          1HD1      LEU  20   2.315  10.464  -3.422
  167   HD12  LEU  20          2HD1      LEU  20   3.742   9.433  -3.685
  168   HD13  LEU  20          3HD1      LEU  20   3.259  10.615  -4.925
  169   HD21  LEU  20          1HD2      LEU  20   1.864   7.974  -6.787
  170   HD22  LEU  20          2HD2      LEU  20   3.257   9.060  -6.575
  171   HD23  LEU  20          3HD2      LEU  20   3.272   7.439  -5.840
  172    H    CYS  21           H        CYS  21  -0.066   5.165  -4.456
  173    HA   CYS  21           HA       CYS  21  -0.926   4.123  -1.870
  174    HB2  CYS  21          1HB       CYS  21  -1.159   2.860  -4.622
  175    HB3  CYS  21          2HB       CYS  21  -1.791   2.199  -3.129
  176    H    TYR  22           H        TYR  22   0.278   2.468  -0.844
  177    HA   TYR  22           HA       TYR  22   2.707   1.601  -2.252
  178    HB2  TYR  22          1HB       TYR  22   3.957   2.134  -0.248
  179    HB3  TYR  22          2HB       TYR  22   2.873   3.499  -0.421
  180    HD1  TYR  22          1HD       TYR  22   3.015   0.133   1.231
  181    HD2  TYR  22          2HD       TYR  22   1.612   4.170   1.419
  182    HE1  TYR  22          1HE       TYR  22   2.109  -0.282   3.571
  183    HE2  TYR  22          2HE       TYR  22   0.711   3.741   3.757
  184    HH   TYR  22           HH       TYR  22   0.771   0.507   5.147
  185    H    LYS  23           H        LYS  23   3.518  -0.494  -1.618
  186    HA   LYS  23           HA       LYS  23   1.656  -2.035   0.037
  187    HB2  LYS  23          1HB       LYS  23   1.856  -2.246  -2.760
  188    HB3  LYS  23          2HB       LYS  23   2.748  -3.619  -2.134
  189    HG2  LYS  23          1HG       LYS  23   0.813  -4.267  -0.721
  190    HG3  LYS  23          2HG       LYS  23  -0.076  -2.853  -1.252
  191    HD2  LYS  23          1HD       LYS  23  -0.774  -4.878  -2.513
  192    HD3  LYS  23          2HD       LYS  23  -0.083  -3.673  -3.582
  193    HE2  LYS  23          1HE       LYS  23   1.861  -5.638  -2.433
  194    HE3  LYS  23          2HE       LYS  23   0.689  -6.305  -3.553
  195    HZ1  LYS  23          1HZ       LYS  23   1.336  -4.497  -5.088
  196    HZ2  LYS  23          2HZ       LYS  23   2.543  -4.090  -4.068
  197    HZ3  LYS  23          3HZ       LYS  23   2.537  -5.559  -4.778
  198    H    MET  24           H        MET  24   2.753  -2.772   1.766
  199    HA   MET  24           HA       MET  24   5.619  -3.070   1.466
  200    HB2  MET  24          1HB       MET  24   3.670  -2.708   3.764
  201    HB3  MET  24          2HB       MET  24   5.206  -3.478   4.112
  202    HG2  MET  24          1HG       MET  24   6.416  -1.535   3.780
  203    HG3  MET  24          2HG       MET  24   5.397  -0.995   2.460
  204    HE1  MET  24          1HE       MET  24   5.598  -1.879   6.035
  205    HE2  MET  24          2HE       MET  24   6.029  -0.193   6.401
  206    HE3  MET  24          3HE       MET  24   4.448  -0.838   6.907
  207    H    PHE  25           H        PHE  25   6.737  -5.023   2.044
  208    HA   PHE  25           HA       PHE  25   4.987  -7.343   2.420
  209    HB2  PHE  25          1HB       PHE  25   7.324  -6.826   0.501
  210    HB3  PHE  25          2HB       PHE  25   6.835  -8.460   0.897
  211    HD1  PHE  25          1HD       PHE  25   5.546  -5.277  -0.523
  212    HD2  PHE  25          2HD       PHE  25   5.096  -9.491  -0.278
  213    HE1  PHE  25          1HE       PHE  25   3.810  -5.197  -2.333
  214    HE2  PHE  25          2HE       PHE  25   3.358  -9.409  -2.088
  215    HZ   PHE  25           HZ       PHE  25   2.736  -7.263  -3.094
  216    H    MET  26           H        MET  26   6.558  -9.368   2.915
  217    HA   MET  26           HA       MET  26   8.625  -8.395   4.723
  218    HB2  MET  26          1HB       MET  26   6.446 -10.491   5.223
  219    HB3  MET  26          2HB       MET  26   7.863 -10.362   6.245
  220    HG2  MET  26          1HG       MET  26   7.269  -7.939   6.694
  221    HG3  MET  26          2HG       MET  26   5.807  -8.153   5.753
  222    HE1  MET  26          1HE       MET  26   7.907  -8.853   8.569
  223    HE2  MET  26          2HE       MET  26   6.666  -8.220   9.678
  224    HE3  MET  26          3HE       MET  26   7.059  -9.957   9.679
  225    H    MET  27           H        MET  27  10.207 -10.197   5.364
  226    HA   MET  27           HA       MET  27  11.212 -11.343   3.067
  227    HB2  MET  27          1HB       MET  27  11.672 -11.628   6.049
  228    HB3  MET  27          2HB       MET  27  12.443 -12.799   4.998
  229    HG2  MET  27          1HG       MET  27  12.688  -9.810   4.468
  230    HG3  MET  27          2HG       MET  27  13.768 -10.625   5.582
  231    HE1  MET  27          1HE       MET  27  13.079  -9.357   2.557
  232    HE2  MET  27          2HE       MET  27  14.523  -9.775   1.603
  233    HE3  MET  27          3HE       MET  27  13.001 -10.661   1.348
  234    H    SER  28           H        SER  28   8.526 -12.306   4.957
  235    HA   SER  28           HA       SER  28   8.816 -15.068   4.870
  236    HB2  SER  28          1HB       SER  28   7.170 -14.293   6.357
  237    HB3  SER  28          2HB       SER  28   6.505 -13.156   5.201
  238    HG   SER  28           HG       SER  28   5.141 -14.653   4.510
  239    H    ASP  29           H        ASP  29   7.083 -12.729   2.695
  240    HA   ASP  29           HA       ASP  29   7.668 -14.360   0.466
  241    HB2  ASP  29          1HB       ASP  29   5.068 -14.394  -0.113
  242    HB3  ASP  29          2HB       ASP  29   5.791 -15.681   0.832
  243    H    LEU  30           H        LEU  30   8.498 -12.448  -0.518
  244    HA   LEU  30           HA       LEU  30   7.188  -9.959  -0.324
  245    HB2  LEU  30          1HB       LEU  30   9.340 -10.975  -2.183
  246    HB3  LEU  30          2HB       LEU  30   8.811  -9.306  -2.102
  247    HG   LEU  30           HG       LEU  30   9.932 -10.796   0.282
  248   HD11  LEU  30          1HD1      LEU  30  11.697 -10.831  -1.290
  249   HD12  LEU  30          2HD1      LEU  30  11.363  -9.167  -1.823
  250   HD13  LEU  30          3HD1      LEU  30  12.034  -9.465  -0.201
  251   HD21  LEU  30          1HD2      LEU  30  10.459  -8.163   0.684
  252   HD22  LEU  30          2HD2      LEU  30   8.917  -8.066  -0.201
  253   HD23  LEU  30          3HD2      LEU  30   9.023  -9.013   1.303
  254    H    THR  31           H        THR  31   6.401 -12.806  -2.007
  255    HA   THR  31           HA       THR  31   5.419 -11.630  -4.409
  256    HB   THR  31           HB       THR  31   6.036 -13.967  -4.418
  257    HG1  THR  31          1HG       THR  31   3.975 -13.383  -5.482
  258   HG21  THR  31          1HG2      THR  31   4.343 -14.056  -1.902
  259   HG22  THR  31          2HG2      THR  31   4.443 -15.507  -2.929
  260   HG23  THR  31          3HG2      THR  31   5.921 -14.817  -2.215
  261    H    ILE  32           H        ILE  32   4.079 -12.266  -1.161
  262    HA   ILE  32           HA       ILE  32   1.660 -10.870  -2.070
  263    HB   ILE  32           HB       ILE  32   1.532 -12.853   0.151
  264   HG12  ILE  32          1HG1      ILE  32   0.774 -14.262  -2.156
  265   HG13  ILE  32          2HG1      ILE  32   2.317 -13.535  -2.562
  266   HG21  ILE  32          1HG2      ILE  32  -0.513 -11.888  -0.018
  267   HG22  ILE  32          2HG2      ILE  32  -0.315 -11.495  -1.743
  268   HG23  ILE  32          3HG2      ILE  32  -0.729 -13.156  -1.247
  269   HD11  ILE  32          1HD1      ILE  32   3.014 -15.511  -1.528
  270   HD12  ILE  32          2HD1      ILE  32   3.033 -14.389  -0.147
  271   HD13  ILE  32          3HD1      ILE  32   1.662 -15.503  -0.369
  272    H    PRO  33           H        PRO  33   1.017  -8.814  -1.383
  273    HA   PRO  33           HA       PRO  33   3.112  -7.946   0.822
  274   1HB   PRO  33          1HB       PRO  33   0.815  -6.388   0.882
  275   2HB   PRO  33          2HB       PRO  33   2.041  -6.285  -0.331
  276   1HG   PRO  33          1HG       PRO  33  -0.626  -7.748  -0.410
  277   2HG   PRO  33          2HG       PRO  33   0.171  -6.856  -1.667
  278   1HD   PRO  33          1HD       PRO  33   0.298  -9.586  -1.607
  279   2HD   PRO  33          2HD       PRO  33   1.567  -8.614  -2.288
  280    H    VAL  34           H        VAL  34   2.735  -6.848   2.926
  281    HA   VAL  34           HA       VAL  34   1.148  -8.594   4.677
  282    HB   VAL  34           HB       VAL  34   2.748  -8.083   6.420
  283   HG11  VAL  34          1HG1      VAL  34   4.181  -9.704   5.772
  284   HG12  VAL  34          2HG1      VAL  34   3.150  -9.787   4.325
  285   HG13  VAL  34          3HG1      VAL  34   4.655  -8.838   4.291
  286   HG21  VAL  34          1HG2      VAL  34   3.357  -5.826   4.961
  287   HG22  VAL  34          2HG2      VAL  34   4.281  -6.440   6.353
  288   HG23  VAL  34          3HG2      VAL  34   4.787  -6.852   4.698
  289    H    LYS  35           H        LYS  35   1.922  -5.311   3.586
  290    HA   LYS  35           HA       LYS  35  -0.376  -4.378   5.117
  291    HB2  LYS  35          1HB       LYS  35   2.227  -2.837   5.104
  292    HB3  LYS  35          2HB       LYS  35   0.767  -2.477   6.005
  293    HG2  LYS  35          1HG       LYS  35   1.123  -4.890   7.041
  294    HG3  LYS  35          2HG       LYS  35   2.768  -4.709   6.464
  295    HD2  LYS  35          1HD       LYS  35   2.906  -3.833   8.645
  296    HD3  LYS  35          2HD       LYS  35   2.719  -2.384   7.677
  297    HE2  LYS  35          1HE       LYS  35   0.518  -2.017   8.382
  298    HE3  LYS  35          2HE       LYS  35   0.200  -3.719   8.645
  299    HZ1  LYS  35          1HZ       LYS  35   0.457  -2.391  10.684
  300    HZ2  LYS  35          2HZ       LYS  35   1.481  -3.661  10.612
  301    HZ3  LYS  35          3HZ       LYS  35   2.031  -2.152  10.321
  302    H    ARG  36           H        ARG  36  -1.479  -2.607   4.128
  303    HA   ARG  36           HA       ARG  36  -0.380  -1.735   1.611
  304    HB2  ARG  36          1HB       ARG  36  -3.215  -2.863   1.851
  305    HB3  ARG  36          2HB       ARG  36  -2.496  -2.205   0.395
  306    HG2  ARG  36          1HG       ARG  36  -0.602  -4.074   1.009
  307    HG3  ARG  36          2HG       ARG  36  -2.000  -4.841   1.738
  308    HD2  ARG  36          1HD       ARG  36  -1.800  -3.898  -1.164
  309    HD3  ARG  36          2HD       ARG  36  -1.722  -5.563  -0.624
  310    HE   ARG  36           HE       ARG  36  -4.131  -4.516   0.414
  311   HH11  ARG  36          1HH1      ARG  36  -6.207  -5.200  -2.305
  312   HH12  ARG  36          2HH1      ARG  36  -6.148  -4.837  -0.613
  313   HH21  ARG  36          1HH2      ARG  36  -4.241  -5.360  -3.529
  314   HH22  ARG  36          2HH2      ARG  36  -2.714  -5.116  -2.749
  315    H    GLY  37           H        GLY  37  -0.783   0.460   1.302
  316    HA2  GLY  37          1HA       GLY  37  -3.147   1.739   2.255
  317    HA3  GLY  37          2HA       GLY  37  -1.781   2.065   3.304
  318    H    CYS  38           H        CYS  38  -1.983   4.347   2.618
  319    HA   CYS  38           HA       CYS  38  -0.795   4.740  -0.033
  320    HB2  CYS  38          1HB       CYS  38  -2.874   6.412   1.400
  321    HB3  CYS  38          2HB       CYS  38  -1.942   7.016   0.045
  322    H    ILE  39           H        ILE  39   0.585   6.795  -0.117
  323    HA   ILE  39           HA       ILE  39   1.466   7.821   2.419
  324    HB   ILE  39           HB       ILE  39   2.680   5.667   2.194
  325   HG12  ILE  39          1HG1      ILE  39   4.825   7.698   1.973
  326   HG13  ILE  39          2HG1      ILE  39   3.555   8.076   3.119
  327   HG21  ILE  39          1HG2      ILE  39   4.029   5.114   0.454
  328   HG22  ILE  39          2HG2      ILE  39   2.865   6.133  -0.428
  329   HG23  ILE  39          3HG2      ILE  39   4.432   6.805   0.076
  330   HD11  ILE  39          1HD1      ILE  39   3.840   5.772   4.129
  331   HD12  ILE  39          2HD1      ILE  39   5.229   5.526   3.044
  332   HD13  ILE  39          3HD1      ILE  39   5.280   6.807   4.279
  333    H    ASP  40           H        ASP  40   3.050   9.633   2.095
  334    HA   ASP  40           HA       ASP  40   2.224  11.079  -0.212
  335    HB2  ASP  40          1HB       ASP  40   2.406  12.393   1.757
  336    HB3  ASP  40          2HB       ASP  40   3.919  11.647   2.233
  337    H    VAL  41           H        VAL  41   5.255   9.671   1.189
  338    HA   VAL  41           HA       VAL  41   6.483   9.941  -1.465
  339    HB   VAL  41           HB       VAL  41   7.795  10.310   1.236
  340   HG11  VAL  41          1HG1      VAL  41   8.970   9.331  -1.059
  341   HG12  VAL  41          2HG1      VAL  41   9.296  11.077  -1.174
  342   HG13  VAL  41          3HG1      VAL  41   9.818  10.167   0.265
  343   HG21  VAL  41          1HG2      VAL  41   6.771  12.213  -0.837
  344   HG22  VAL  41          2HG2      VAL  41   6.758  12.337   0.938
  345   HG23  VAL  41          3HG2      VAL  41   8.264  12.630   0.036
  346    H    CYS  42           H        CYS  42   7.638   8.136  -2.205
  347    HA   CYS  42           HA       CYS  42   6.837   5.682  -1.142
  348    HB2  CYS  42          1HB       CYS  42   7.487   6.179  -3.541
  349    HB3  CYS  42          2HB       CYS  42   9.163   6.147  -3.030
  350    H    PRO  43           H        PRO  43   7.167   4.612   0.903
  351    HA   PRO  43           HA       PRO  43  10.123   5.239   1.925
  352   1HB   PRO  43          1HB       PRO  43   8.716   2.647   2.300
  353   2HB   PRO  43          2HB       PRO  43   9.174   3.816   3.487
  354   1HG   PRO  43          1HG       PRO  43   6.580   3.606   2.754
  355   2HG   PRO  43          2HG       PRO  43   7.261   5.184   2.992
  356   1HD   PRO  43          1HD       PRO  43   6.900   3.759   0.337
  357   2HD   PRO  43          2HD       PRO  43   6.406   5.370   0.768
  358    H    LYS  44           H        LYS  44  12.048   4.048   2.216
  359    HA   LYS  44           HA       LYS  44  12.964   2.804  -0.185
  360    HB2  LYS  44          1HB       LYS  44  14.340   3.112   2.500
  361    HB3  LYS  44          2HB       LYS  44  15.104   2.677   0.985
  362    HG2  LYS  44          1HG       LYS  44  14.828   4.831   0.062
  363    HG3  LYS  44          2HG       LYS  44  13.474   5.223   1.102
  364    HD2  LYS  44          1HD       LYS  44  15.568   4.772   2.920
  365    HD3  LYS  44          2HD       LYS  44  16.367   5.572   1.582
  366    HE2  LYS  44          1HE       LYS  44  14.115   7.133   1.788
  367    HE3  LYS  44          2HE       LYS  44  14.292   6.630   3.459
  368    HZ1  LYS  44          1HZ       LYS  44  16.782   7.357   2.376
  369    HZ2  LYS  44          2HZ       LYS  44  15.711   8.574   2.181
  370    HZ3  LYS  44          3HZ       LYS  44  16.004   7.977   3.673
  371    H    ASN  45           H        ASN  45  13.874   0.614  -0.315
  372    HA   ASN  45           HA       ASN  45  12.125  -1.196   1.035
  373    HB2  ASN  45          1HB       ASN  45  14.336  -1.568  -1.048
  374    HB3  ASN  45          2HB       ASN  45  13.421  -2.914  -0.396
  375   HD21  ASN  45          1HD2      ASN  45  13.234  -2.746  -2.953
  376   HD22  ASN  45          2HD2      ASN  45  11.750  -2.059  -3.522
  377    H    SER  46           H        SER  46  13.164  -3.293   2.004
  378    HA   SER  46           HA       SER  46  15.802  -2.768   3.083
  379    HB2  SER  46          1HB       SER  46  14.997  -3.556   5.353
  380    HB3  SER  46          2HB       SER  46  14.388  -1.986   4.867
  381    HG   SER  46           HG       SER  46  12.766  -3.516   5.784
  382    H    LEU  47           H        LEU  47  16.516  -4.905   4.386
  383    HA   LEU  47           HA       LEU  47  16.047  -7.071   2.531
  384    HB2  LEU  47          1HB       LEU  47  17.867  -7.036   4.933
  385    HB3  LEU  47          2HB       LEU  47  17.920  -8.116   3.554
  386    HG   LEU  47           HG       LEU  47  18.170  -5.472   2.536
  387   HD11  LEU  47          1HD1      LEU  47  19.698  -4.349   3.784
  388   HD12  LEU  47          2HD1      LEU  47  18.872  -5.216   5.099
  389   HD13  LEU  47          3HD1      LEU  47  20.413  -5.833   4.458
  390   HD21  LEU  47          1HD2      LEU  47  19.080  -7.488   1.510
  391   HD22  LEU  47          2HD2      LEU  47  20.359  -6.280   1.782
  392   HD23  LEU  47          3HD2      LEU  47  20.216  -7.684   2.865
  393    H    LEU  48           H        LEU  48  14.134  -5.903   4.798
  394    HA   LEU  48           HA       LEU  48  13.469  -8.572   5.830
  395    HB2  LEU  48          1HB       LEU  48  13.140  -5.958   7.307
  396    HB3  LEU  48          2HB       LEU  48  12.735  -7.556   7.898
  397    HG   LEU  48           HG       LEU  48  15.543  -6.660   7.194
  398   HD11  LEU  48          1HD1      LEU  48  15.958  -6.402   9.555
  399   HD12  LEU  48          2HD1      LEU  48  14.579  -5.377   9.087
  400   HD13  LEU  48          3HD1      LEU  48  14.297  -6.911   9.945
  401   HD21  LEU  48          1HD2      LEU  48  16.155  -8.777   7.420
  402   HD22  LEU  48          2HD2      LEU  48  15.420  -8.849   9.041
  403   HD23  LEU  48          3HD2      LEU  48  14.446  -9.239   7.602
  404    H    VAL  49           H        VAL  49  12.293  -5.262   4.963
  405    HA   VAL  49           HA       VAL  49   9.803  -6.555   4.104
  406    HB   VAL  49           HB       VAL  49   8.491  -4.957   5.099
  407   HG11  VAL  49          1HG1      VAL  49  10.534  -4.659   7.230
  408   HG12  VAL  49          2HG1      VAL  49   8.868  -5.285   7.309
  409   HG13  VAL  49          3HG1      VAL  49  10.185  -6.328   6.718
  410   HG21  VAL  49          1HG2      VAL  49   9.099  -2.845   4.579
  411   HG22  VAL  49          2HG2      VAL  49   9.877  -2.869   6.180
  412   HG23  VAL  49          3HG2      VAL  49  10.837  -3.199   4.717
  413    H    LYS  50           H        LYS  50   8.807  -5.614   2.227
  414    HA   LYS  50           HA       LYS  50  10.696  -3.958   0.708
  415    HB2  LYS  50          1HB       LYS  50  10.178  -6.341  -0.067
  416    HB3  LYS  50          2HB       LYS  50   8.569  -5.766  -0.452
  417    HG2  LYS  50          1HG       LYS  50   9.286  -4.660  -2.316
  418    HG3  LYS  50          2HG       LYS  50  10.650  -3.949  -1.477
  419    HD2  LYS  50          1HD       LYS  50  12.100  -5.568  -2.199
  420    HD3  LYS  50          2HD       LYS  50  10.958  -6.863  -1.894
  421    HE2  LYS  50          1HE       LYS  50   9.716  -5.741  -4.027
  422    HE3  LYS  50          2HE       LYS  50  11.350  -5.219  -4.385
  423    HZ1  LYS  50          1HZ       LYS  50  11.033  -7.314  -5.359
  424    HZ2  LYS  50          2HZ       LYS  50  12.012  -7.572  -4.076
  425    HZ3  LYS  50          3HZ       LYS  50  10.431  -7.976  -3.993
  426    H    TYR  51           H        TYR  51   9.669  -2.403  -0.848
  427    HA   TYR  51           HA       TYR  51   7.017  -1.543   0.052
  428    HB2  TYR  51          1HB       TYR  51   9.701  -0.074  -0.110
  429    HB3  TYR  51          2HB       TYR  51   8.216   0.839  -0.278
  430    HD1  TYR  51          1HD       TYR  51  10.346  -1.056   2.035
  431    HD2  TYR  51          2HD       TYR  51   6.704   1.151   1.629
  432    HE1  TYR  51          1HE       TYR  51  10.154  -0.893   4.566
  433    HE2  TYR  51          2HE       TYR  51   6.524   1.308   4.160
  434    HH   TYR  51           HH       TYR  51   8.771   1.074   6.142
  435    H    VAL  52           H        VAL  52   5.674  -1.227  -1.653
  436    HA   VAL  52           HA       VAL  52   6.936  -0.542  -4.215
  437    HB   VAL  52           HB       VAL  52   4.472  -2.237  -4.053
  438   HG11  VAL  52          1HG1      VAL  52   6.748  -2.078  -6.057
  439   HG12  VAL  52          2HG1      VAL  52   5.274  -3.060  -6.216
  440   HG13  VAL  52          3HG1      VAL  52   5.163  -1.283  -6.214
  441   HG21  VAL  52          1HG2      VAL  52   7.301  -3.129  -3.525
  442   HG22  VAL  52          2HG2      VAL  52   5.793  -3.595  -2.700
  443   HG23  VAL  52          3HG2      VAL  52   6.145  -4.218  -4.328
  444    H    CYS  53           H        CYS  53   6.401   1.555  -4.571
  445    HA   CYS  53           HA       CYS  53   3.730   2.390  -3.738
  446    HB2  CYS  53          1HB       CYS  53   5.930   4.265  -4.603
  447    HB3  CYS  53          2HB       CYS  53   4.520   4.606  -3.618
  448    H    CYS  54           H        CYS  54   2.317   3.389  -5.293
  449    HA   CYS  54           HA       CYS  54   3.287   3.508  -8.024
  450    HB2  CYS  54          1HB       CYS  54   1.137   2.318  -8.769
  451    HB3  CYS  54          2HB       CYS  54   2.446   1.328  -8.157
  452    H    ASN  55           H        ASN  55   2.014   5.013  -9.309
  453    HA   ASN  55           HA       ASN  55   0.496   6.796  -7.620
  454    HB2  ASN  55          1HB       ASN  55   0.802   8.439  -9.405
  455    HB3  ASN  55          2HB       ASN  55   2.346   7.657  -9.137
  456   HD21  ASN  55          1HD2      ASN  55   3.382   7.285 -10.928
  457   HD22  ASN  55          2HD2      ASN  55   2.722   6.771 -12.445
  458    H    THR  56           H        THR  56  -0.391   4.064  -8.836
  459    HA   THR  56           HA       THR  56  -2.551   4.988 -10.590
  460    HB   THR  56           HB       THR  56  -2.685   2.273 -10.641
  461    HG1  THR  56          1HG       THR  56  -0.468   1.539 -10.278
  462   HG21  THR  56          1HG2      THR  56  -1.638   2.407 -12.703
  463   HG22  THR  56          2HG2      THR  56  -1.735   4.160 -12.411
  464   HG23  THR  56          3HG2      THR  56  -0.236   3.278 -12.035
  465    H    ASP  57           H        ASP  57  -4.710   3.822 -10.275
  466    HA   ASP  57           HA       ASP  57  -5.412   4.292  -7.542
  467    HB2  ASP  57          1HB       ASP  57  -6.849   3.891 -10.149
  468    HB3  ASP  57          2HB       ASP  57  -7.733   3.453  -8.700
  469    H    ARG  58           H        ARG  58  -5.985   2.645  -6.053
  470    HA   ARG  58           HA       ARG  58  -5.956   0.659  -5.182
  471    HB2  ARG  58          1HB       ARG  58  -7.498  -0.038  -7.731
  472    HB3  ARG  58          2HB       ARG  58  -7.440  -1.067  -6.314
  473    HG2  ARG  58          1HG       ARG  58  -8.920   0.237  -5.146
  474    HG3  ARG  58          2HG       ARG  58  -8.177   1.731  -5.678
  475    HD2  ARG  58          1HD       ARG  58  -9.548   0.297  -7.876
  476    HD3  ARG  58          2HD       ARG  58 -10.633   0.723  -6.567
  477    HE   ARG  58           HE       ARG  58  -8.962   2.982  -7.176
  478   HH11  ARG  58          1HH1      ARG  58 -11.231   4.544  -9.318
  479   HH12  ARG  58          2HH1      ARG  58  -9.802   4.747  -8.359
  480   HH21  ARG  58          1HH2      ARG  58 -12.291   2.481  -9.401
  481   HH22  ARG  58          2HH2      ARG  58 -11.653   1.143  -8.504
  482    H    CYS  59           H        CYS  59  -3.661   1.323  -6.969
  483    HA   CYS  59           HA       CYS  59  -3.032  -1.045  -8.417
  484    HB2  CYS  59          1HB       CYS  59  -0.790   0.057  -8.679
  485    HB3  CYS  59          2HB       CYS  59  -2.147   0.999  -9.265
  486    H    ASN  60           H        ASN  60  -3.291  -0.359  -5.152
  487    HA   ASN  60           HA       ASN  60  -1.144  -2.233  -4.534
  488    HB2  ASN  60          1HB       ASN  60  -0.787  -1.098  -2.422
  489    HB3  ASN  60          2HB       ASN  60  -0.839   0.158  -3.644
  490   HD21  ASN  60          1HD2      ASN  60  -1.883  -0.705  -0.670
  491   HD22  ASN  60          2HD2      ASN  60  -3.317   0.254  -0.512
  492    H1   HOH 101          1H        HOH  61   4.912 -11.300   2.371
  493    H2   HOH 101          2H        HOH  61   3.920 -10.206   2.700