*HEADER    TOXIN                                   22-NOV-04   1Y29              
*TITLE     THREE DIMENSIONAL SOLUTION STRUCTURE OF HUWENTOXIN-X BY 2D            
*TITLE    2 1H-NMR                                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HUWENTOXIN-X;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS PEPTIDE WAS ISOLATED FROM THE VENOM OF           
*SOURCE   4 SPIDER SELENOCSMIA HUWENA, SYNTHESIZED BY USING SOLID                
*SOURCE   5 PHASE CHEMICAL METHOD.                                               
*KEYWDS    A DOUBLE-STRANDED BETA-SHEET, ICK, KNOTTIN                            
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    Z.H.LIU, S.P.LIANG                                                    
*REVDAT   1   07-DEC-04 1Y29    0                                                

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assign (resid 9 and name SG)   (resid 22 and name SG)   2.02 0.02 0.02
assign (resid 9 and name SG)   (resid 22 and name CB)   2.99 0.5 0.5
assign (resid 9 and name CB)   (resid 22 and name SG)   2.99 0.5 0.5
assign (resid 18 and name SG)  (resid 27 and name SG)   2.02 0.02 0.02
assign (resid 18 and name SG)  (resid 27 and name CB)   2.99 0.5 0.5
assign (resid 18 and name CB)  (resid 27 and name SG)   2.99 0.5 0.5

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LYS   1          1HT       LYS   1   5.299  11.158  -4.772
    2   2H    LYS   1          2HT       LYS   1   4.421   9.722  -5.009
    3   3H    LYS   1          3HT       LYS   1   5.876   9.698  -4.133
    4    HA   LYS   1           HA       LYS   1   4.879  11.056  -2.383
    5   1HB   LYS   1          2HB       LYS   1   3.210  11.723  -4.501
    6   2HB   LYS   1          1HB       LYS   1   2.167  10.747  -3.467
    7   1HG   LYS   1          2HG       LYS   1   1.854  12.707  -2.346
    8   2HG   LYS   1          1HG       LYS   1   3.402  12.309  -1.604
    9   1HD   LYS   1          2HD       LYS   1   3.373  13.780  -4.221
   10   2HD   LYS   1          1HD       LYS   1   3.059  14.666  -2.730
   11   1HE   LYS   1          2HE       LYS   1   5.195  13.967  -1.790
   12   2HE   LYS   1          1HE       LYS   1   5.499  12.912  -3.184
   13   1HZ   LYS   1          1HZ       LYS   1   5.422  14.814  -4.639
   14   2HZ   LYS   1          2HZ       LYS   1   6.571  15.099  -3.421
   15   3HZ   LYS   1          3HZ       LYS   1   5.048  15.847  -3.346
   16    H    CYS   2           H        CYS   2   2.997  10.113  -0.894
   17    HA   CYS   2           HA       CYS   2   3.496   7.282  -0.550
   18   1HB   CYS   2          2HB       CYS   2   3.081   8.688   1.356
   19   2HB   CYS   2          1HB       CYS   2   1.573   9.287   0.666
   20    H    LEU   3           H        LEU   3   1.881   5.567  -0.667
   21    HA   LEU   3           HA       LEU   3   0.244   5.625  -3.054
   22   1HB   LEU   3          2HB       LEU   3   0.386   3.707  -0.702
   23   2HB   LEU   3          1HB       LEU   3  -0.397   3.356  -2.242
   24    HG   LEU   3           HG       LEU   3   2.528   4.106  -1.967
   25   1HD1  LEU   3          1HD1      LEU   3   2.582   2.009  -1.015
   26   2HD1  LEU   3          2HD1      LEU   3   2.599   1.533  -2.713
   27   3HD1  LEU   3          3HD1      LEU   3   1.089   1.497  -1.801
   28   1HD2  LEU   3          1HD2      LEU   3   2.484   2.961  -4.301
   29   2HD2  LEU   3          2HD2      LEU   3   1.837   4.596  -4.175
   30   3HD2  LEU   3          3HD2      LEU   3   0.741   3.215  -4.232
   31    HA   PRO   4           HA       PRO   4  -3.433   7.340  -1.262
   32   1HB   PRO   4          2HB       PRO   4  -5.222   6.499  -3.163
   33   2HB   PRO   4          1HB       PRO   4  -4.097   7.849  -3.420
   34   1HG   PRO   4          2HG       PRO   4  -3.894   5.019  -4.327
   35   2HG   PRO   4          1HG       PRO   4  -3.485   6.512  -5.188
   36   1HD   PRO   4          2HD       PRO   4  -1.617   4.922  -4.030
   37   2HD   PRO   4          1HD       PRO   4  -1.425   6.683  -4.188
   38    HA   PRO   5           HA       PRO   5  -5.381   4.061   0.932
   39   1HB   PRO   5          2HB       PRO   5  -7.957   4.963   1.204
   40   2HB   PRO   5          1HB       PRO   5  -6.590   5.635   2.116
   41   1HG   PRO   5          2HG       PRO   5  -7.941   6.691  -0.319
   42   2HG   PRO   5          1HG       PRO   5  -7.328   7.559   1.098
   43   1HD   PRO   5          2HD       PRO   5  -5.998   7.459  -1.271
   44   2HD   PRO   5          1HD       PRO   5  -5.177   7.614   0.300
   45    H    GLY   6           H        GLY   6  -6.112   2.084   0.243
   46   1HA   GLY   6          2HA       GLY   6  -7.857   0.707  -0.808
   47   2HA   GLY   6          1HA       GLY   6  -8.081   1.986  -2.000
   48    H    LYS   7           H        LYS   7  -4.770   1.578  -1.383
   49    HA   LYS   7           HA       LYS   7  -4.379   0.288  -4.006
   50   1HB   LYS   7          2HB       LYS   7  -2.589   1.496  -1.879
   51   2HB   LYS   7          1HB       LYS   7  -1.944   0.751  -3.340
   52   1HG   LYS   7          2HG       LYS   7  -4.020   2.952  -3.404
   53   2HG   LYS   7          1HG       LYS   7  -2.288   3.270  -3.464
   54   1HD   LYS   7          2HD       LYS   7  -3.067   1.191  -5.354
   55   2HD   LYS   7          1HD       LYS   7  -3.934   2.696  -5.647
   56   1HE   LYS   7          2HE       LYS   7  -2.047   3.783  -6.342
   57   2HE   LYS   7          1HE       LYS   7  -1.043   3.034  -5.085
   58   1HZ   LYS   7          1HZ       LYS   7  -2.071   1.664  -7.519
   59   2HZ   LYS   7          2HZ       LYS   7  -1.116   0.950  -6.308
   60   3HZ   LYS   7          3HZ       LYS   7  -0.471   2.181  -7.285
   61    HA   PRO   8           HA       PRO   8  -4.058  -3.683  -2.001
   62   1HB   PRO   8          2HB       PRO   8  -3.440  -5.127  -4.244
   63   2HB   PRO   8          1HB       PRO   8  -5.085  -4.580  -3.865
   64   1HG   PRO   8          2HG       PRO   8  -3.100  -3.442  -5.765
   65   2HG   PRO   8          1HG       PRO   8  -4.858  -3.585  -5.917
   66   1HD   PRO   8          2HD       PRO   8  -3.568  -1.265  -5.260
   67   2HD   PRO   8          1HD       PRO   8  -5.244  -1.634  -4.798
   68    H    CYS   9           H        CYS   9  -2.192  -3.725  -0.742
   69    HA   CYS   9           HA       CYS   9   0.475  -3.467  -1.980
   70   1HB   CYS   9          2HB       CYS   9   1.224  -3.467   0.342
   71   2HB   CYS   9          1HB       CYS   9  -0.186  -2.422   0.200
   72    H    TYR  10           H        TYR  10   2.041  -5.147  -2.006
   73    HA   TYR  10           HA       TYR  10   0.898  -7.897  -1.903
   74   1HB   TYR  10          2HB       TYR  10   2.693  -6.413  -3.585
   75   2HB   TYR  10          1HB       TYR  10   3.564  -7.799  -2.929
   76    HD1  TYR  10           1HD      TYR  10   2.900 -10.076  -3.459
   77    HD2  TYR  10           2HD      TYR  10   0.668  -6.723  -4.953
   78    HE1  TYR  10           1HE      TYR  10   1.707 -11.571  -5.034
   79    HE2  TYR  10           2HE      TYR  10  -0.525  -8.219  -6.527
   80    HH   TYR  10           HH       TYR  10   0.380 -10.900  -7.557
   81    H    GLY  11           H        GLY  11   1.014  -7.821   0.531
   82   1HA   GLY  11          2HA       GLY  11   2.044  -8.404   2.555
   83   2HA   GLY  11          1HA       GLY  11   3.219  -9.267   1.563
   84    H    ALA  12           H        ALA  12   5.243  -8.624   2.117
   85    HA   ALA  12           HA       ALA  12   5.710  -5.700   2.619
   86   1HB   ALA  12          1HB       ALA  12   7.085  -8.143   3.786
   87   2HB   ALA  12          2HB       ALA  12   5.878  -7.160   4.614
   88   3HB   ALA  12          3HB       ALA  12   7.446  -6.467   4.200
   89    H    THR  13           H        THR  13   5.900  -7.230   0.026
   90    HA   THR  13           HA       THR  13   8.850  -7.098  -0.471
   91    HB   THR  13           HB       THR  13   6.597  -8.318  -2.106
   92    HG1  THR  13           1HG      THR  13   8.456  -9.475  -0.302
   93   1HG2  THR  13          1HG2      THR  13   8.193  -9.083  -3.580
   94   2HG2  THR  13          2HG2      THR  13   9.452  -9.146  -2.348
   95   3HG2  THR  13          3HG2      THR  13   8.994  -7.600  -3.063
   96    H    GLN  14           H        GLN  14   8.380  -4.631  -0.389
   97    HA   GLN  14           HA       GLN  14   8.295  -3.613  -3.113
   98   1HB   GLN  14          2HB       GLN  14   6.215  -2.239  -2.728
   99   2HB   GLN  14          1HB       GLN  14   5.908  -3.972  -2.788
  100   1HG   GLN  14          2HG       GLN  14   5.922  -4.062  -0.316
  101   2HG   GLN  14          1HG       GLN  14   6.217  -2.324  -0.259
  102   1HE2  GLN  14          1HE2      GLN  14   4.348  -1.065  -0.085
  103   2HE2  GLN  14          2HE2      GLN  14   2.796  -1.563  -0.558
  104    H    LYS  15           H        LYS  15   9.270  -1.575  -3.183
  105    HA   LYS  15           HA       LYS  15  10.293  -0.494  -0.619
  106   1HB   LYS  15          2HB       LYS  15  11.082  -0.616  -3.416
  107   2HB   LYS  15          1HB       LYS  15  11.204   1.031  -2.801
  108   1HG   LYS  15          2HG       LYS  15  13.304  -0.253  -2.445
  109   2HG   LYS  15          1HG       LYS  15  12.576   0.265  -0.924
  110   1HD   LYS  15          2HD       LYS  15  12.526  -1.878  -0.243
  111   2HD   LYS  15          1HD       LYS  15  11.431  -2.258  -1.572
  112   1HE   LYS  15          2HE       LYS  15  13.762  -2.205  -2.944
  113   2HE   LYS  15          1HE       LYS  15  14.363  -2.720  -1.355
  114   1HZ   LYS  15          1HZ       LYS  15  12.597  -4.398  -1.295
  115   2HZ   LYS  15          2HZ       LYS  15  13.634  -4.634  -2.619
  116   3HZ   LYS  15          3HZ       LYS  15  12.100  -3.940  -2.853
  117    H    ILE  16           H        ILE  16   7.407  -0.174  -1.550
  118    HA   ILE  16           HA       ILE  16   7.308   2.820  -1.595
  119    HB   ILE  16           HB       ILE  16   6.474   1.691  -3.636
  120   1HG1  ILE  16          2HG1      ILE  16   4.162   2.671  -3.621
  121   2HG1  ILE  16          1HG1      ILE  16   4.332   2.940  -1.887
  122   1HG2  ILE  16          1HG2      ILE  16   5.669  -0.338  -2.078
  123   2HG2  ILE  16          2HG2      ILE  16   4.917  -0.010  -3.637
  124   3HG2  ILE  16          3HG2      ILE  16   4.148   0.548  -2.152
  125   1HD1  ILE  16          1HD1      ILE  16   6.248   4.055  -3.957
  126   2HD1  ILE  16          2HD1      ILE  16   6.198   4.442  -2.236
  127   3HD1  ILE  16          3HD1      ILE  16   4.884   4.956  -3.296
  128    HA   PRO  17           HA       PRO  17   5.526   2.015   2.439
  129   1HB   PRO  17          2HB       PRO  17   5.501   4.624   3.250
  130   2HB   PRO  17          1HB       PRO  17   6.970   3.627   3.258
  131   1HG   PRO  17          2HG       PRO  17   6.106   5.708   1.323
  132   2HG   PRO  17          1HG       PRO  17   7.728   5.315   1.909
  133   1HD   PRO  17          2HD       PRO  17   6.726   4.553  -0.533
  134   2HD   PRO  17          1HD       PRO  17   8.048   3.724   0.315
  135    H    CYS  18           H        CYS  18   3.336   1.770   2.744
  136    HA   CYS  18           HA       CYS  18   1.419   3.258   1.086
  137   1HB   CYS  18          2HB       CYS  18   1.496   0.911   2.892
  138   2HB   CYS  18          1HB       CYS  18  -0.036   1.784   2.878
  139    H    CYS  19           H        CYS  19  -0.105   4.777   1.900
  140    HA   CYS  19           HA       CYS  19   0.719   6.551   3.949
  141   1HB   CYS  19          2HB       CYS  19  -1.871   5.956   2.529
  142   2HB   CYS  19          1HB       CYS  19  -1.826   7.176   3.803
  143    H    GLY  20           H        GLY  20  -1.413   3.707   4.107
  144   1HA   GLY  20          2HA       GLY  20  -1.532   4.037   7.080
  145   2HA   GLY  20          1HA       GLY  20  -2.798   3.250   6.137
  146    H    VAL  21           H        VAL  21  -2.732   1.087   6.491
  147    HA   VAL  21           HA       VAL  21  -0.060  -0.283   6.432
  148    HB   VAL  21           HB       VAL  21  -2.325  -1.292   8.128
  149   1HG1  VAL  21          1HG1      VAL  21   0.530  -1.754   7.766
  150   2HG1  VAL  21          2HG1      VAL  21  -0.676  -2.769   8.554
  151   3HG1  VAL  21          3HG1      VAL  21   0.120  -1.484   9.461
  152   1HG2  VAL  21          1HG2      VAL  21  -2.253   0.998   8.866
  153   2HG2  VAL  21          2HG2      VAL  21  -0.490   1.023   8.817
  154   3HG2  VAL  21          3HG2      VAL  21  -1.324   0.067  10.042
  155    H    CYS  22           H        CYS  22  -0.517  -2.774   6.155
  156    HA   CYS  22           HA       CYS  22  -2.132  -3.081   3.722
  157   1HB   CYS  22          2HB       CYS  22  -0.211  -4.722   5.347
  158   2HB   CYS  22          1HB       CYS  22  -1.232  -5.535   4.162
  159    H    SER  23           H        SER  23  -4.322  -3.367   3.952
  160    HA   SER  23           HA       SER  23  -5.295  -5.089   6.214
  161   1HB   SER  23          2HB       SER  23  -5.882  -2.693   6.375
  162   2HB   SER  23          1HB       SER  23  -6.600  -2.755   4.768
  163    HG   SER  23           HG       SER  23  -8.308  -3.674   5.590
  164    H    HIS  24           H        HIS  24  -5.533  -7.077   5.162
  165    HA   HIS  24           HA       HIS  24  -6.402  -8.680   3.662
  166   1HB   HIS  24          2HB       HIS  24  -8.404  -7.126   4.607
  167   2HB   HIS  24          1HB       HIS  24  -8.566  -6.775   2.888
  168    HD1  HIS  24           1HD      HIS  24 -10.808  -8.352   4.197
  169    HD2  HIS  24           2HD      HIS  24  -7.485 -10.190   2.473
  170    HE1  HIS  24           1HE      HIS  24 -11.507 -10.721   3.643
  171    H    ASN  25           H        ASN  25  -4.324  -7.375   2.512
  172    HA   ASN  25           HA       ASN  25  -3.346  -6.932   0.416
  173   1HB   ASN  25          2HB       ASN  25  -5.472  -8.691   0.024
  174   2HB   ASN  25          1HB       ASN  25  -5.762  -7.424  -1.165
  175   1HD2  ASN  25          1HD2      ASN  25  -3.620  -6.778  -2.433
  176   2HD2  ASN  25          2HD2      ASN  25  -2.628  -8.073  -2.899
  177    H    LYS  26           H        LYS  26  -4.410  -4.727   1.840
  178    HA   LYS  26           HA       LYS  26  -5.039  -2.865  -0.403
  179   1HB   LYS  26          2HB       LYS  26  -6.662  -3.156   2.149
  180   2HB   LYS  26          1HB       LYS  26  -6.916  -1.919   0.921
  181   1HG   LYS  26          2HG       LYS  26  -7.160  -3.906  -0.731
  182   2HG   LYS  26          1HG       LYS  26  -7.387  -4.887   0.717
  183   1HD   LYS  26          2HD       LYS  26  -9.035  -2.465  -0.076
  184   2HD   LYS  26          1HD       LYS  26  -9.564  -4.147  -0.128
  185   1HE   LYS  26          2HE       LYS  26  -8.822  -4.076   2.447
  186   2HE   LYS  26          1HE       LYS  26  -9.194  -2.354   2.238
  187   1HZ   LYS  26          1HZ       LYS  26 -11.189  -3.589   2.828
  188   2HZ   LYS  26          2HZ       LYS  26 -10.972  -4.623   1.499
  189   3HZ   LYS  26          3HZ       LYS  26 -11.322  -2.978   1.251
  190    H    CYS  27           H        CYS  27  -5.118  -0.522   0.659
  191    HA   CYS  27           HA       CYS  27  -3.122  -0.329   2.887
  192   1HB   CYS  27          2HB       CYS  27  -2.954   0.631   0.060
  193   2HB   CYS  27          1HB       CYS  27  -2.277   1.672   1.311
  194    H    THR  28           H        THR  28  -4.032   0.958   4.438
  195    HA   THR  28           HA       THR  28  -6.239   2.798   3.721
  196    HB   THR  28           HB       THR  28  -6.331   2.978   6.260
  197    HG1  THR  28           1HG      THR  28  -4.725   0.760   6.515
  198   1HG2  THR  28          1HG2      THR  28  -6.350   0.164   5.132
  199   2HG2  THR  28          2HG2      THR  28  -7.657   1.332   4.928
  200   3HG2  THR  28          3HG2      THR  28  -7.247   0.737   6.538
  Start of MODEL    2
    1   1H    LYS   1          1HT       LYS   1   5.160  11.442  -2.529
    2   2H    LYS   1          2HT       LYS   1   3.929  10.285  -2.713
    3   3H    LYS   1          3HT       LYS   1   5.543   9.791  -2.529
    4    HA   LYS   1           HA       LYS   1   5.565  10.749  -0.265
    5   1HB   LYS   1          2HB       LYS   1   3.834  12.439  -0.852
    6   2HB   LYS   1          1HB       LYS   1   2.629  11.157  -0.938
    7   1HG   LYS   1          2HG       LYS   1   2.332  11.955   1.241
    8   2HG   LYS   1          1HG       LYS   1   3.428  10.598   1.496
    9   1HD   LYS   1          2HD       LYS   1   5.320  12.028   1.704
   10   2HD   LYS   1          1HD       LYS   1   4.439  13.411   1.050
   11   1HE   LYS   1          2HE       LYS   1   4.209  13.939   3.284
   12   2HE   LYS   1          1HE       LYS   1   2.851  12.802   3.179
   13   1HZ   LYS   1          1HZ       LYS   1   4.393  10.996   3.725
   14   2HZ   LYS   1          2HZ       LYS   1   4.332  12.154   4.965
   15   3HZ   LYS   1          3HZ       LYS   1   5.655  12.116   3.901
   16    H    CYS   2           H        CYS   2   2.486   9.177  -1.261
   17    HA   CYS   2           HA       CYS   2   3.400   6.538  -0.363
   18   1HB   CYS   2          2HB       CYS   2   1.626   6.491   1.459
   19   2HB   CYS   2          1HB       CYS   2   2.997   7.548   1.784
   20    H    LEU   3           H        LEU   3   1.480   4.949  -0.454
   21    HA   LEU   3           HA       LEU   3  -0.004   5.385  -2.940
   22   1HB   LEU   3          2HB       LEU   3  -0.122   3.167  -0.864
   23   2HB   LEU   3          1HB       LEU   3  -0.754   3.075  -2.506
   24    HG   LEU   3           HG       LEU   3   2.059   3.920  -2.392
   25   1HD1  LEU   3          1HD1      LEU   3   1.360   1.928  -0.570
   26   2HD1  LEU   3          2HD1      LEU   3   2.975   2.232  -1.208
   27   3HD1  LEU   3          3HD1      LEU   3   1.933   1.034  -1.977
   28   1HD2  LEU   3          1HD2      LEU   3   1.612   1.494  -3.831
   29   2HD2  LEU   3          2HD2      LEU   3   1.859   3.114  -4.485
   30   3HD2  LEU   3          3HD2      LEU   3   0.229   2.550  -4.121
   31    HA   PRO   4           HA       PRO   4  -3.576   7.176  -1.022
   32   1HB   PRO   4          2HB       PRO   4  -5.388   6.671  -3.024
   33   2HB   PRO   4          1HB       PRO   4  -4.174   7.965  -3.105
   34   1HG   PRO   4          2HG       PRO   4  -4.107   5.234  -4.308
   35   2HG   PRO   4          1HG       PRO   4  -3.629   6.787  -5.014
   36   1HD   PRO   4          2HD       PRO   4  -1.818   5.045  -4.046
   37   2HD   PRO   4          1HD       PRO   4  -1.588   6.804  -3.931
   38    HA   PRO   5           HA       PRO   5  -5.839   3.922   0.851
   39   1HB   PRO   5          2HB       PRO   5  -8.362   4.970   1.072
   40   2HB   PRO   5          1HB       PRO   5  -6.999   5.495   2.080
   41   1HG   PRO   5          2HG       PRO   5  -8.149   6.773  -0.355
   42   2HG   PRO   5          1HG       PRO   5  -7.581   7.520   1.149
   43   1HD   PRO   5          2HD       PRO   5  -6.104   7.501  -1.117
   44   2HD   PRO   5          1HD       PRO   5  -5.375   7.457   0.504
   45    H    GLY   6           H        GLY   6  -6.475   2.036  -0.118
   46   1HA   GLY   6          2HA       GLY   6  -8.368   0.866  -1.265
   47   2HA   GLY   6          1HA       GLY   6  -8.384   2.200  -2.417
   48    H    LYS   7           H        LYS   7  -5.269   2.109  -2.218
   49    HA   LYS   7           HA       LYS   7  -4.833   0.531  -4.590
   50   1HB   LYS   7          2HB       LYS   7  -3.059   1.840  -2.515
   51   2HB   LYS   7          1HB       LYS   7  -2.398   1.027  -3.933
   52   1HG   LYS   7          2HG       LYS   7  -4.470   3.232  -4.090
   53   2HG   LYS   7          1HG       LYS   7  -2.734   3.516  -4.217
   54   1HD   LYS   7          2HD       LYS   7  -2.744   1.758  -6.088
   55   2HD   LYS   7          1HD       LYS   7  -4.500   1.922  -6.079
   56   1HE   LYS   7          2HE       LYS   7  -4.442   4.082  -6.927
   57   2HE   LYS   7          1HE       LYS   7  -2.855   4.429  -6.214
   58   1HZ   LYS   7          1HZ       LYS   7  -3.354   2.506  -8.428
   59   2HZ   LYS   7          2HZ       LYS   7  -1.840   2.886  -7.755
   60   3HZ   LYS   7          3HZ       LYS   7  -2.707   4.062  -8.622
   61    HA   PRO   8           HA       PRO   8  -4.001  -3.435  -2.860
   62   1HB   PRO   8          2HB       PRO   8  -2.157  -4.408  -4.629
   63   2HB   PRO   8          1HB       PRO   8  -3.877  -4.224  -5.028
   64   1HG   PRO   8          2HG       PRO   8  -1.569  -2.512  -5.773
   65   2HG   PRO   8          1HG       PRO   8  -3.021  -2.921  -6.699
   66   1HD   PRO   8          2HD       PRO   8  -2.627  -0.533  -5.389
   67   2HD   PRO   8          1HD       PRO   8  -4.219  -1.201  -5.810
   68    H    CYS   9           H        CYS   9  -2.378  -4.645  -1.682
   69    HA   CYS   9           HA       CYS   9   0.247  -3.264  -1.238
   70   1HB   CYS   9          2HB       CYS   9  -1.175  -2.618   0.582
   71   2HB   CYS   9          1HB       CYS   9  -1.820  -4.249   0.746
   72    H    TYR  10           H        TYR  10   1.980  -4.713  -0.938
   73    HA   TYR  10           HA       TYR  10   1.310  -7.638  -1.104
   74   1HB   TYR  10          2HB       TYR  10   3.517  -5.993  -2.380
   75   2HB   TYR  10          1HB       TYR  10   3.450  -7.754  -2.443
   76    HD1  TYR  10           1HD      TYR  10   2.031  -4.634  -3.710
   77    HD2  TYR  10           2HD      TYR  10   1.579  -8.904  -3.613
   78    HE1  TYR  10           1HE      TYR  10   0.462  -4.511  -5.623
   79    HE2  TYR  10           2HE      TYR  10   0.010  -8.781  -5.528
   80    HH   TYR  10           HH       TYR  10  -0.221  -6.566  -7.574
   81    H    GLY  11           H        GLY  11   2.616  -9.053   0.135
   82   1HA   GLY  11          2HA       GLY  11   4.180  -7.732   2.300
   83   2HA   GLY  11          1HA       GLY  11   3.495  -9.355   2.382
   84    H    ALA  12           H        ALA  12   6.319  -8.324   2.713
   85    HA   ALA  12           HA       ALA  12   8.496  -9.055   2.208
   86   1HB   ALA  12          1HB       ALA  12   8.628 -11.370   1.851
   87   2HB   ALA  12          2HB       ALA  12   7.213 -11.383   0.798
   88   3HB   ALA  12          3HB       ALA  12   7.015 -11.192   2.540
   89    H    THR  13           H        THR  13   6.961  -7.421   0.165
   90    HA   THR  13           HA       THR  13   8.913  -7.405  -1.937
   91    HB   THR  13           HB       THR  13   7.710  -9.580  -2.398
   92    HG1  THR  13           1HG      THR  13   8.530  -8.833  -4.210
   93   1HG2  THR  13          1HG2      THR  13   5.451  -9.705  -2.592
   94   2HG2  THR  13          2HG2      THR  13   5.348  -8.187  -3.483
   95   3HG2  THR  13          3HG2      THR  13   5.454  -8.171  -1.723
   96    H    GLN  14           H        GLN  14   8.122  -5.286  -0.610
   97    HA   GLN  14           HA       GLN  14   6.544  -3.730  -2.580
   98   1HB   GLN  14          2HB       GLN  14   5.174  -4.886  -0.625
   99   2HB   GLN  14          1HB       GLN  14   5.784  -3.526   0.318
  100   1HG   GLN  14          2HG       GLN  14   4.950  -2.070  -1.674
  101   2HG   GLN  14          1HG       GLN  14   3.990  -3.485  -2.103
  102   1HE2  GLN  14          1HE2      GLN  14   2.568  -1.212  -1.372
  103   2HE2  GLN  14          2HE2      GLN  14   1.896  -1.407   0.174
  104    H    LYS  15           H        LYS  15   8.189  -2.228  -2.981
  105    HA   LYS  15           HA       LYS  15   9.725  -1.079  -0.724
  106   1HB   LYS  15          2HB       LYS  15  10.667  -1.831  -2.976
  107   2HB   LYS  15          1HB       LYS  15   9.859  -0.433  -3.681
  108   1HG   LYS  15          2HG       LYS  15  11.632   0.827  -3.101
  109   2HG   LYS  15          1HG       LYS  15  11.240   0.529  -1.408
  110   1HD   LYS  15          2HD       LYS  15  12.495  -1.708  -1.704
  111   2HD   LYS  15          1HD       LYS  15  13.143  -1.000  -3.183
  112   1HE   LYS  15          2HE       LYS  15  13.289   0.592  -0.634
  113   2HE   LYS  15          1HE       LYS  15  14.471  -0.701  -0.919
  114   1HZ   LYS  15          1HZ       LYS  15  14.880   0.261  -3.133
  115   2HZ   LYS  15          2HZ       LYS  15  15.277   1.343  -1.884
  116   3HZ   LYS  15          3HZ       LYS  15  13.838   1.547  -2.762
  117    H    ILE  16           H        ILE  16   6.744  -0.512  -1.336
  118    HA   ILE  16           HA       ILE  16   6.960   2.450  -1.141
  119    HB   ILE  16           HB       ILE  16   6.462   1.707  -3.463
  120   1HG1  ILE  16          2HG1      ILE  16   4.015   2.889  -3.389
  121   2HG1  ILE  16          1HG1      ILE  16   4.637   3.362  -1.808
  122   1HG2  ILE  16          1HG2      ILE  16   5.119  -0.349  -2.505
  123   2HG2  ILE  16          2HG2      ILE  16   4.639   0.381  -4.036
  124   3HG2  ILE  16          3HG2      ILE  16   3.760   0.773  -2.560
  125   1HD1  ILE  16          1HD1      ILE  16   5.152   4.824  -3.964
  126   2HD1  ILE  16          2HD1      ILE  16   6.440   3.638  -4.184
  127   3HD1  ILE  16          3HD1      ILE  16   6.373   4.607  -2.710
  128    HA   PRO  17           HA       PRO  17   4.318   1.192   2.275
  129   1HB   PRO  17          2HB       PRO  17   4.534   3.539   3.653
  130   2HB   PRO  17          1HB       PRO  17   5.800   2.297   3.668
  131   1HG   PRO  17          2HG       PRO  17   5.680   4.858   2.180
  132   2HG   PRO  17          1HG       PRO  17   7.071   4.022   2.884
  133   1HD   PRO  17          2HD       PRO  17   6.410   4.018   0.202
  134   2HD   PRO  17          1HD       PRO  17   7.442   2.813   0.999
  135    H    CYS  18           H        CYS  18   2.132   1.648   2.760
  136    HA   CYS  18           HA       CYS  18   0.638   3.276   0.840
  137   1HB   CYS  18          2HB       CYS  18  -0.271   1.930   3.411
  138   2HB   CYS  18          1HB       CYS  18  -1.281   2.363   2.033
  139    H    CYS  19           H        CYS  19  -0.666   5.165   1.433
  140    HA   CYS  19           HA       CYS  19   0.569   7.122   3.060
  141   1HB   CYS  19          2HB       CYS  19  -2.274   6.687   2.116
  142   2HB   CYS  19          1HB       CYS  19  -1.798   8.140   2.992
  143    H    GLY  20           H        GLY  20  -1.854   4.669   3.896
  144   1HA   GLY  20          2HA       GLY  20  -1.751   5.575   6.743
  145   2HA   GLY  20          1HA       GLY  20  -3.059   4.618   6.042
  146    H    VAL  21           H        VAL  21  -2.825   2.372   5.900
  147    HA   VAL  21           HA       VAL  21  -0.186   1.170   6.608
  148    HB   VAL  21           HB       VAL  21  -2.690   0.170   7.944
  149   1HG1  VAL  21          1HG1      VAL  21   0.259   0.002   8.316
  150   2HG1  VAL  21          2HG1      VAL  21  -0.974  -1.242   8.516
  151   3HG1  VAL  21          3HG1      VAL  21  -0.736  -0.028   9.772
  152   1HG2  VAL  21          1HG2      VAL  21  -2.793   2.517   8.513
  153   2HG2  VAL  21          2HG2      VAL  21  -1.058   2.570   8.824
  154   3HG2  VAL  21          3HG2      VAL  21  -2.120   1.673   9.907
  155    H    CYS  22           H        CYS  22  -0.509  -1.368   6.462
  156    HA   CYS  22           HA       CYS  22  -1.941  -1.893   3.897
  157   1HB   CYS  22          2HB       CYS  22   0.480  -2.881   5.292
  158   2HB   CYS  22          1HB       CYS  22  -0.439  -4.115   4.428
  159    H    SER  23           H        SER  23  -3.886  -2.936   4.027
  160    HA   SER  23           HA       SER  23  -4.321  -4.917   6.232
  161   1HB   SER  23          2HB       SER  23  -6.030  -2.547   5.424
  162   2HB   SER  23          1HB       SER  23  -6.634  -3.859   6.431
  163    HG   SER  23           HG       SER  23  -4.773  -1.861   6.986
  164    H    HIS  24           H        HIS  24  -5.270  -6.775   5.456
  165    HA   HIS  24           HA       HIS  24  -6.191  -8.302   3.905
  166   1HB   HIS  24          2HB       HIS  24  -7.759  -5.741   3.477
  167   2HB   HIS  24          1HB       HIS  24  -8.202  -7.257   2.692
  168    HD1  HIS  24           1HD      HIS  24  -9.541  -8.897   4.053
  169    HD2  HIS  24           2HD      HIS  24  -7.805  -5.946   6.432
  170    HE1  HIS  24           1HE      HIS  24 -10.468  -9.223   6.388
  171    H    ASN  25           H        ASN  25  -3.771  -6.959   3.061
  172    HA   ASN  25           HA       ASN  25  -2.453  -6.748   1.124
  173   1HB   ASN  25          2HB       ASN  25  -4.517  -8.630   0.620
  174   2HB   ASN  25          1HB       ASN  25  -4.388  -7.632  -0.827
  175   1HD2  ASN  25          1HD2      ASN  25  -2.712  -8.171  -2.247
  176   2HD2  ASN  25          2HD2      ASN  25  -1.384  -9.148  -1.845
  177    H    LYS  26           H        LYS  26  -3.970  -4.469   2.001
  178    HA   LYS  26           HA       LYS  26  -4.288  -3.029  -0.603
  179   1HB   LYS  26          2HB       LYS  26  -6.195  -2.803   1.749
  180   2HB   LYS  26          1HB       LYS  26  -6.379  -2.060   0.162
  181   1HG   LYS  26          2HG       LYS  26  -6.323  -4.479  -0.755
  182   2HG   LYS  26          1HG       LYS  26  -6.623  -4.967   0.912
  183   1HD   LYS  26          2HD       LYS  26  -8.356  -3.138  -0.773
  184   2HD   LYS  26          1HD       LYS  26  -8.758  -4.769  -0.237
  185   1HE   LYS  26          2HE       LYS  26  -8.381  -3.830   2.172
  186   2HE   LYS  26          1HE       LYS  26  -8.578  -2.243   1.403
  187   1HZ   LYS  26          1HZ       LYS  26 -10.640  -3.051   0.391
  188   2HZ   LYS  26          2HZ       LYS  26 -10.722  -3.103   2.087
  189   3HZ   LYS  26          3HZ       LYS  26 -10.469  -4.530   1.202
  190    H    CYS  27           H        CYS  27  -4.520  -0.571  -0.062
  191    HA   CYS  27           HA       CYS  27  -2.567   0.133   2.110
  192   1HB   CYS  27          2HB       CYS  27  -3.198   1.222  -0.637
  193   2HB   CYS  27          1HB       CYS  27  -2.381   2.233   0.552
  194    H    THR  28           H        THR  28  -3.887   0.739   3.846
  195    HA   THR  28           HA       THR  28  -6.364   2.284   3.341
  196    HB   THR  28           HB       THR  28  -6.630   1.959   5.814
  197    HG1  THR  28           1HG      THR  28  -4.414   0.259   5.790
  198   1HG2  THR  28          1HG2      THR  28  -7.328   0.248   4.068
  199   2HG2  THR  28          2HG2      THR  28  -7.076  -0.388   5.692
  200   3HG2  THR  28          3HG2      THR  28  -5.844  -0.625   4.450
  Start of MODEL    3
    1   1H    LYS   1          1HT       LYS   1   6.301  11.843   0.139
    2   2H    LYS   1          2HT       LYS   1   6.679  10.192   0.300
    3   3H    LYS   1          3HT       LYS   1   5.619  10.935   1.399
    4    HA   LYS   1           HA       LYS   1   3.919  11.165  -0.217
    5   1HB   LYS   1          2HB       LYS   1   4.415  10.690  -2.585
    6   2HB   LYS   1          1HB       LYS   1   5.518  11.913  -1.959
    7   1HG   LYS   1          2HG       LYS   1   7.257  10.208  -1.627
    8   2HG   LYS   1          1HG       LYS   1   6.153   8.953  -2.193
    9   1HD   LYS   1          2HD       LYS   1   6.705  11.339  -3.934
   10   2HD   LYS   1          1HD       LYS   1   7.869  10.015  -3.874
   11   1HE   LYS   1          2HE       LYS   1   6.475   8.569  -4.989
   12   2HE   LYS   1          1HE       LYS   1   5.017   9.224  -4.221
   13   1HZ   LYS   1          1HZ       LYS   1   5.182   9.846  -6.583
   14   2HZ   LYS   1          2HZ       LYS   1   6.648  10.645  -6.264
   15   3HZ   LYS   1          3HZ       LYS   1   5.203  11.202  -5.564
   16    H    CYS   2           H        CYS   2   2.530   9.382  -0.875
   17    HA   CYS   2           HA       CYS   2   3.605   6.626  -0.725
   18   1HB   CYS   2          2HB       CYS   2   1.825   6.157   1.084
   19   2HB   CYS   2          1HB       CYS   2   3.278   7.014   1.592
   20    H    LEU   3           H        LEU   3   1.666   5.028  -0.964
   21    HA   LEU   3           HA       LEU   3   0.132   5.815  -3.326
   22   1HB   LEU   3          2HB       LEU   3  -0.032   3.331  -1.588
   23   2HB   LEU   3          1HB       LEU   3  -0.585   3.480  -3.256
   24    HG   LEU   3           HG       LEU   3   2.125   4.334  -3.209
   25   1HD1  LEU   3          1HD1      LEU   3   3.033   3.157  -1.511
   26   2HD1  LEU   3          2HD1      LEU   3   2.680   1.705  -2.447
   27   3HD1  LEU   3          3HD1      LEU   3   1.535   2.273  -1.233
   28   1HD2  LEU   3          1HD2      LEU   3   0.451   2.778  -4.765
   29   2HD2  LEU   3          2HD2      LEU   3   1.600   1.592  -4.145
   30   3HD2  LEU   3          3HD2      LEU   3   2.179   2.995  -5.044
   31    HA   PRO   4           HA       PRO   4  -3.585   7.090  -1.338
   32   1HB   PRO   4          2HB       PRO   4  -5.450   6.305  -3.183
   33   2HB   PRO   4          1HB       PRO   4  -4.375   7.697  -3.427
   34   1HG   PRO   4          2HG       PRO   4  -4.154   4.927  -4.499
   35   2HG   PRO   4          1HG       PRO   4  -3.823   6.474  -5.294
   36   1HD   PRO   4          2HD       PRO   4  -1.865   4.863  -4.318
   37   2HD   PRO   4          1HD       PRO   4  -1.715   6.633  -4.405
   38    HA   PRO   5           HA       PRO   5  -5.340   3.641   0.752
   39   1HB   PRO   5          2HB       PRO   5  -7.900   4.479   1.238
   40   2HB   PRO   5          1HB       PRO   5  -6.490   5.137   2.090
   41   1HG   PRO   5          2HG       PRO   5  -8.025   6.280  -0.189
   42   2HG   PRO   5          1HG       PRO   5  -7.326   7.090   1.223
   43   1HD   PRO   5          2HD       PRO   5  -6.173   7.117  -1.246
   44   2HD   PRO   5          1HD       PRO   5  -5.251   7.250   0.267
   45    H    GLY   6           H        GLY   6  -6.287   1.694   0.153
   46   1HA   GLY   6          2HA       GLY   6  -8.198   0.503  -0.892
   47   2HA   GLY   6          1HA       GLY   6  -8.182   1.726  -2.161
   48    H    LYS   7           H        LYS   7  -5.260   1.762  -2.437
   49    HA   LYS   7           HA       LYS   7  -4.914  -0.258  -4.425
   50   1HB   LYS   7          2HB       LYS   7  -3.388   1.864  -3.094
   51   2HB   LYS   7          1HB       LYS   7  -2.375   0.511  -3.596
   52   1HG   LYS   7          2HG       LYS   7  -2.430   1.951  -5.483
   53   2HG   LYS   7          1HG       LYS   7  -3.576   0.667  -5.866
   54   1HD   LYS   7          2HD       LYS   7  -4.743   2.946  -4.392
   55   2HD   LYS   7          1HD       LYS   7  -4.152   3.346  -6.004
   56   1HE   LYS   7          2HE       LYS   7  -5.803   0.857  -5.668
   57   2HE   LYS   7          1HE       LYS   7  -6.620   2.431  -5.707
   58   1HZ   LYS   7          1HZ       LYS   7  -5.534   2.965  -7.758
   59   2HZ   LYS   7          2HZ       LYS   7  -6.281   1.449  -7.943
   60   3HZ   LYS   7          3HZ       LYS   7  -4.601   1.548  -7.703
   61    HA   PRO   8           HA       PRO   8  -4.117  -3.661  -1.641
   62   1HB   PRO   8          2HB       PRO   8  -3.691  -5.534  -3.588
   63   2HB   PRO   8          1HB       PRO   8  -5.309  -4.983  -3.111
   64   1HG   PRO   8          2HG       PRO   8  -3.655  -4.199  -5.457
   65   2HG   PRO   8          1HG       PRO   8  -5.402  -4.469  -5.345
   66   1HD   PRO   8          2HD       PRO   8  -4.262  -1.992  -5.376
   67   2HD   PRO   8          1HD       PRO   8  -5.813  -2.349  -4.585
   68    H    CYS   9           H        CYS   9  -2.172  -4.284  -0.728
   69    HA   CYS   9           HA       CYS   9   0.337  -3.584  -2.157
   70   1HB   CYS   9          2HB       CYS   9   1.290  -3.544   0.008
   71   2HB   CYS   9          1HB       CYS   9  -0.351  -2.963   0.274
   72    H    TYR  10           H        TYR  10   2.132  -5.181  -2.172
   73    HA   TYR  10           HA       TYR  10   1.101  -7.993  -2.377
   74   1HB   TYR  10          2HB       TYR  10   3.281  -6.441  -3.799
   75   2HB   TYR  10          1HB       TYR  10   3.109  -8.191  -3.951
   76    HD1  TYR  10           1HD      TYR  10   0.765  -9.089  -4.632
   77    HD2  TYR  10           2HD      TYR  10   2.010  -5.013  -5.175
   78    HE1  TYR  10           1HE      TYR  10  -1.018  -8.770  -6.327
   79    HE2  TYR  10           2HE      TYR  10   0.227  -4.695  -6.869
   80    HH   TYR  10           HH       TYR  10  -1.160  -6.822  -8.499
   81    H    GLY  11           H        GLY  11   1.637  -9.019  -0.485
   82   1HA   GLY  11          2HA       GLY  11   2.957  -9.918   1.227
   83   2HA   GLY  11          1HA       GLY  11   4.331  -9.671   0.154
   84    H    ALA  12           H        ALA  12   5.728  -8.917   1.794
   85    HA   ALA  12           HA       ALA  12   5.056  -6.195   2.872
   86   1HB   ALA  12          1HB       ALA  12   6.730  -8.196   4.371
   87   2HB   ALA  12          2HB       ALA  12   4.973  -8.342   4.403
   88   3HB   ALA  12          3HB       ALA  12   5.748  -6.876   5.006
   89    H    THR  13           H        THR  13   6.627  -6.877   0.467
   90    HA   THR  13           HA       THR  13   9.205  -5.613   1.271
   91    HB   THR  13           HB       THR  13   8.904  -8.124  -0.417
   92    HG1  THR  13           1HG      THR  13   9.995  -7.712   2.172
   93   1HG2  THR  13          1HG2      THR  13  11.140  -6.244   0.111
   94   2HG2  THR  13          2HG2      THR  13  10.848  -7.285  -1.283
   95   3HG2  THR  13          3HG2      THR  13  11.533  -7.961   0.195
   96    H    GLN  14           H        GLN  14   8.614  -3.685   0.170
   97    HA   GLN  14           HA       GLN  14   8.767  -3.817  -2.787
   98   1HB   GLN  14          2HB       GLN  14   6.645  -2.588  -3.040
   99   2HB   GLN  14          1HB       GLN  14   6.373  -4.114  -2.201
  100   1HG   GLN  14          2HG       GLN  14   6.751  -2.643  -0.037
  101   2HG   GLN  14          1HG       GLN  14   6.312  -1.316  -1.112
  102   1HE2  GLN  14          1HE2      GLN  14   4.928  -3.370   1.078
  103   2HE2  GLN  14          2HE2      GLN  14   3.364  -3.476   0.428
  104    H    LYS  15           H        LYS  15   9.146  -1.664  -3.733
  105    HA   LYS  15           HA       LYS  15  10.584   0.134  -1.866
  106   1HB   LYS  15          2HB       LYS  15  10.256   0.152  -4.888
  107   2HB   LYS  15          1HB       LYS  15  11.408   1.125  -3.974
  108   1HG   LYS  15          2HG       LYS  15  12.879  -0.581  -3.900
  109   2HG   LYS  15          1HG       LYS  15  11.655  -1.667  -3.239
  110   1HD   LYS  15          2HD       LYS  15  10.749  -1.898  -5.607
  111   2HD   LYS  15          1HD       LYS  15  12.201  -1.061  -6.155
  112   1HE   LYS  15          2HE       LYS  15  13.379  -2.995  -6.039
  113   2HE   LYS  15          1HE       LYS  15  12.950  -3.176  -4.326
  114   1HZ   LYS  15          1HZ       LYS  15  11.185  -3.870  -6.618
  115   2HZ   LYS  15          2HZ       LYS  15  10.809  -4.070  -4.972
  116   3HZ   LYS  15          3HZ       LYS  15  12.047  -4.991  -5.683
  117    H    ILE  16           H        ILE  16   7.508  -0.061  -2.115
  118    HA   ILE  16           HA       ILE  16   7.045   2.874  -2.382
  119    HB   ILE  16           HB       ILE  16   6.507   1.634  -4.480
  120   1HG1  ILE  16          2HG1      ILE  16   4.015   2.391  -4.516
  121   2HG1  ILE  16          1HG1      ILE  16   4.333   2.967  -2.882
  122   1HG2  ILE  16          1HG2      ILE  16   5.673  -0.400  -2.937
  123   2HG2  ILE  16          2HG2      ILE  16   5.080  -0.161  -4.580
  124   3HG2  ILE  16          3HG2      ILE  16   4.119   0.387  -3.206
  125   1HD1  ILE  16          1HD1      ILE  16   6.387   4.156  -3.896
  126   2HD1  ILE  16          2HD1      ILE  16   4.799   4.838  -4.249
  127   3HD1  ILE  16          3HD1      ILE  16   5.626   3.855  -5.457
  128    HA   PRO  17           HA       PRO  17   5.201   1.438   1.530
  129   1HB   PRO  17          2HB       PRO  17   5.562   3.808   2.847
  130   2HB   PRO  17          1HB       PRO  17   6.845   2.592   2.678
  131   1HG   PRO  17          2HG       PRO  17   6.427   5.124   1.179
  132   2HG   PRO  17          1HG       PRO  17   7.933   4.362   1.711
  133   1HD   PRO  17          2HD       PRO  17   6.964   4.256  -0.856
  134   2HD   PRO  17          1HD       PRO  17   8.074   3.061  -0.154
  135    H    CYS  18           H        CYS  18   3.052   1.683   2.125
  136    HA   CYS  18           HA       CYS  18   1.321   3.460   0.554
  137   1HB   CYS  18          2HB       CYS  18   0.943   1.434   2.777
  138   2HB   CYS  18          1HB       CYS  18  -0.408   2.316   2.064
  139    H    CYS  19           H        CYS  19  -0.200   5.007   1.628
  140    HA   CYS  19           HA       CYS  19   1.086   6.815   3.438
  141   1HB   CYS  19          2HB       CYS  19  -1.831   6.378   2.706
  142   2HB   CYS  19          1HB       CYS  19  -1.236   7.785   3.586
  143    H    GLY  20           H        GLY  20  -1.489   4.387   4.019
  144   1HA   GLY  20          2HA       GLY  20  -1.010   4.660   6.952
  145   2HA   GLY  20          1HA       GLY  20  -2.448   3.938   6.220
  146    H    VAL  21           H        VAL  21  -2.482   1.744   6.369
  147    HA   VAL  21           HA       VAL  21   0.113   0.256   6.110
  148    HB   VAL  21           HB       VAL  21  -2.010  -0.795   7.928
  149   1HG1  VAL  21          1HG1      VAL  21   0.764  -0.643   8.857
  150   2HG1  VAL  21          2HG1      VAL  21   0.605  -1.453   7.299
  151   3HG1  VAL  21          3HG1      VAL  21  -0.292  -2.046   8.696
  152   1HG2  VAL  21          1HG2      VAL  21  -2.023   1.499   8.688
  153   2HG2  VAL  21          2HG2      VAL  21  -0.264   1.594   8.601
  154   3HG2  VAL  21          3HG2      VAL  21  -1.033   0.583   9.823
  155    H    CYS  22           H        CYS  22  -0.418  -2.168   5.696
  156    HA   CYS  22           HA       CYS  22  -2.563  -2.279   3.630
  157   1HB   CYS  22          2HB       CYS  22  -0.153  -2.893   3.171
  158   2HB   CYS  22          1HB       CYS  22  -0.354  -4.258   4.271
  159    H    SER  23           H        SER  23  -4.488  -2.871   4.550
  160    HA   SER  23           HA       SER  23  -4.521  -5.302   6.312
  161   1HB   SER  23          2HB       SER  23  -6.411  -4.176   7.483
  162   2HB   SER  23          1HB       SER  23  -4.936  -3.218   7.562
  163    HG   SER  23           HG       SER  23  -7.040  -2.184   6.887
  164    H    HIS  24           H        HIS  24  -6.210  -6.798   5.813
  165    HA   HIS  24           HA       HIS  24  -7.803  -7.868   4.429
  166   1HB   HIS  24          2HB       HIS  24  -8.566  -5.055   4.814
  167   2HB   HIS  24          1HB       HIS  24  -9.256  -5.753   3.352
  168    HD1  HIS  24           1HD      HIS  24 -11.179  -5.099   5.594
  169    HD2  HIS  24           2HD      HIS  24  -9.283  -8.801   5.299
  170    HE1  HIS  24           1HE      HIS  24 -12.603  -6.738   6.893
  171    H    ASN  25           H        ASN  25  -5.199  -7.116   3.256
  172    HA   ASN  25           HA       ASN  25  -4.157  -7.210   1.150
  173   1HB   ASN  25          2HB       ASN  25  -6.617  -8.564   0.989
  174   2HB   ASN  25          1HB       ASN  25  -6.552  -7.557  -0.456
  175   1HD2  ASN  25          1HD2      ASN  25  -4.067  -7.598  -1.407
  176   2HD2  ASN  25          2HD2      ASN  25  -3.451  -9.170  -1.590
  177    H    LYS  26           H        LYS  26  -5.100  -4.597   2.166
  178    HA   LYS  26           HA       LYS  26  -4.871  -3.083  -0.329
  179   1HB   LYS  26          2HB       LYS  26  -7.056  -1.863   0.110
  180   2HB   LYS  26          1HB       LYS  26  -7.234  -3.533  -0.415
  181   1HG   LYS  26          2HG       LYS  26  -7.883  -4.272   1.695
  182   2HG   LYS  26          1HG       LYS  26  -7.087  -2.932   2.518
  183   1HD   LYS  26          2HD       LYS  26  -9.245  -2.150   0.654
  184   2HD   LYS  26          1HD       LYS  26  -9.771  -3.046   2.081
  185   1HE   LYS  26          2HE       LYS  26  -7.924  -1.240   3.120
  186   2HE   LYS  26          1HE       LYS  26  -8.787  -0.294   1.893
  187   1HZ   LYS  26          1HZ       LYS  26 -10.885  -1.062   2.802
  188   2HZ   LYS  26          2HZ       LYS  26  -9.978  -0.297   4.017
  189   3HZ   LYS  26          3HZ       LYS  26 -10.077  -1.992   3.968
  190    H    CYS  27           H        CYS  27  -3.980  -1.069   0.076
  191    HA   CYS  27           HA       CYS  27  -3.049  -0.510   2.786
  192   1HB   CYS  27          2HB       CYS  27  -2.811   0.787   0.068
  193   2HB   CYS  27          1HB       CYS  27  -2.130   1.544   1.505
  194    H    THR  28           H        THR  28  -4.101   0.748   4.267
  195    HA   THR  28           HA       THR  28  -6.552   2.206   3.463
  196    HB   THR  28           HB       THR  28  -6.688   2.473   5.994
  197    HG1  THR  28           1HG      THR  28  -4.724   2.262   6.786
  198   1HG2  THR  28          1HG2      THR  28  -6.329  -0.317   4.870
  199   2HG2  THR  28          2HG2      THR  28  -7.813   0.634   4.823
  200   3HG2  THR  28          3HG2      THR  28  -7.172   0.073   6.369
  Start of MODEL    4
    1   1H    LYS   1          1HT       LYS   1   5.758  10.612   1.189
    2   2H    LYS   1          2HT       LYS   1   4.357  11.314   1.839
    3   3H    LYS   1          3HT       LYS   1   5.371  12.222   0.826
    4    HA   LYS   1           HA       LYS   1   3.281  11.387  -0.263
    5   1HB   LYS   1          2HB       LYS   1   4.522  10.947  -2.303
    6   2HB   LYS   1          1HB       LYS   1   5.434  12.124  -1.359
    7   1HG   LYS   1          2HG       LYS   1   6.799  10.219  -0.434
    8   2HG   LYS   1          1HG       LYS   1   5.970   9.146  -1.562
    9   1HD   LYS   1          2HD       LYS   1   6.893  10.236  -3.452
   10   2HD   LYS   1          1HD       LYS   1   7.381  11.645  -2.506
   11   1HE   LYS   1          2HE       LYS   1   9.254  10.584  -1.637
   12   2HE   LYS   1          1HE       LYS   1   8.522   8.971  -1.752
   13   1HZ   LYS   1          1HZ       LYS   1   8.647   9.108  -4.155
   14   2HZ   LYS   1          2HZ       LYS   1  10.193   9.320  -3.485
   15   3HZ   LYS   1          3HZ       LYS   1   9.326  10.660  -4.066
   16    H    CYS   2           H        CYS   2   2.168   9.539  -1.070
   17    HA   CYS   2           HA       CYS   2   3.244   6.835  -0.768
   18   1HB   CYS   2          2HB       CYS   2   1.361   6.281   0.917
   19   2HB   CYS   2          1HB       CYS   2   2.775   7.128   1.531
   20    H    LEU   3           H        LEU   3   1.304   5.209  -1.081
   21    HA   LEU   3           HA       LEU   3  -0.069   5.977  -3.550
   22   1HB   LEU   3          2HB       LEU   3  -0.262   3.499  -1.803
   23   2HB   LEU   3          1HB       LEU   3  -0.810   3.626  -3.473
   24    HG   LEU   3           HG       LEU   3   1.845   4.524  -3.530
   25   1HD1  LEU   3          1HD1      LEU   3   2.934   3.533  -1.830
   26   2HD1  LEU   3          2HD1      LEU   3   2.451   1.963  -2.474
   27   3HD1  LEU   3          3HD1      LEU   3   1.441   2.774  -1.277
   28   1HD2  LEU   3          1HD2      LEU   3   2.171   2.664  -4.974
   29   2HD2  LEU   3          2HD2      LEU   3   0.457   3.045  -5.127
   30   3HD2  LEU   3          3HD2      LEU   3   0.973   1.689  -4.124
   31    HA   PRO   4           HA       PRO   4  -3.947   7.225  -1.881
   32   1HB   PRO   4          2HB       PRO   4  -5.692   6.195  -3.733
   33   2HB   PRO   4          1HB       PRO   4  -4.667   7.611  -4.044
   34   1HG   PRO   4          2HG       PRO   4  -4.251   4.768  -4.844
   35   2HG   PRO   4          1HG       PRO   4  -3.986   6.251  -5.776
   36   1HD   PRO   4          2HD       PRO   4  -1.960   4.901  -4.613
   37   2HD   PRO   4          1HD       PRO   4  -1.948   6.670  -4.788
   38    HA   PRO   5           HA       PRO   5  -5.726   3.944   0.445
   39   1HB   PRO   5          2HB       PRO   5  -8.374   4.636   0.587
   40   2HB   PRO   5          1HB       PRO   5  -7.099   5.486   1.482
   41   1HG   PRO   5          2HG       PRO   5  -8.461   6.250  -1.053
   42   2HG   PRO   5          1HG       PRO   5  -7.968   7.263   0.313
   43   1HD   PRO   5          2HD       PRO   5  -6.563   7.115  -2.007
   44   2HD   PRO   5          1HD       PRO   5  -5.810   7.457  -0.435
   45    H    GLY   6           H        GLY   6  -6.418   1.872  -0.023
   46   1HA   GLY   6          2HA       GLY   6  -7.998   0.313  -1.054
   47   2HA   GLY   6          1HA       GLY   6  -8.213   1.463  -2.371
   48    H    LYS   7           H        LYS   7  -5.109   1.833  -2.226
   49    HA   LYS   7           HA       LYS   7  -4.419   0.147  -4.419
   50   1HB   LYS   7          2HB       LYS   7  -3.045   1.906  -2.437
   51   2HB   LYS   7          1HB       LYS   7  -2.029   0.796  -3.357
   52   1HG   LYS   7          2HG       LYS   7  -4.076   2.339  -4.882
   53   2HG   LYS   7          1HG       LYS   7  -2.676   3.230  -4.284
   54   1HD   LYS   7          2HD       LYS   7  -1.253   1.336  -5.298
   55   2HD   LYS   7          1HD       LYS   7  -2.718   0.862  -6.158
   56   1HE   LYS   7          2HE       LYS   7  -1.928   3.750  -6.269
   57   2HE   LYS   7          1HE       LYS   7  -1.005   2.594  -7.250
   58   1HZ   LYS   7          1HZ       LYS   7  -3.968   2.865  -7.207
   59   2HZ   LYS   7          2HZ       LYS   7  -3.099   1.717  -8.110
   60   3HZ   LYS   7          3HZ       LYS   7  -2.948   3.372  -8.462
   61    HA   PRO   8           HA       PRO   8  -3.905  -3.609  -2.032
   62   1HB   PRO   8          2HB       PRO   8  -3.215  -5.206  -4.149
   63   2HB   PRO   8          1HB       PRO   8  -4.890  -4.739  -3.793
   64   1HG   PRO   8          2HG       PRO   8  -3.002  -3.630  -5.809
   65   2HG   PRO   8          1HG       PRO   8  -4.743  -3.929  -5.936
   66   1HD   PRO   8          2HD       PRO   8  -3.669  -1.460  -5.507
   67   2HD   PRO   8          1HD       PRO   8  -5.289  -1.937  -4.952
   68    H    CYS   9           H        CYS   9  -2.036  -3.613  -0.812
   69    HA   CYS   9           HA       CYS   9   0.595  -3.335  -2.195
   70   1HB   CYS   9          2HB       CYS   9   1.402  -2.661  -0.029
   71   2HB   CYS   9          1HB       CYS   9  -0.139  -1.846  -0.278
   72    H    TYR  10           H        TYR  10   2.361  -4.777  -1.472
   73    HA   TYR  10           HA       TYR  10   1.370  -7.550  -0.992
   74   1HB   TYR  10          2HB       TYR  10   3.950  -6.355  -2.050
   75   2HB   TYR  10          1HB       TYR  10   3.706  -8.085  -1.815
   76    HD1  TYR  10           1HD      TYR  10   3.296  -5.356  -4.069
   77    HD2  TYR  10           2HD      TYR  10   1.583  -9.127  -2.930
   78    HE1  TYR  10           1HE      TYR  10   2.144  -5.496  -6.261
   79    HE2  TYR  10           2HE      TYR  10   0.433  -9.267  -5.121
   80    HH   TYR  10           HH       TYR  10  -0.198  -6.900  -7.019
   81    H    GLY  11           H        GLY  11   3.008  -8.917   0.342
   82   1HA   GLY  11          2HA       GLY  11   3.698  -7.370   2.801
   83   2HA   GLY  11          1HA       GLY  11   3.320  -9.091   2.773
   84    H    ALA  12           H        ALA  12   4.958  -9.976   0.681
   85    HA   ALA  12           HA       ALA  12   7.661  -9.532   1.885
   86   1HB   ALA  12          1HB       ALA  12   6.095 -11.799   1.027
   87   2HB   ALA  12          2HB       ALA  12   7.625 -11.788   1.902
   88   3HB   ALA  12          3HB       ALA  12   7.618 -11.766   0.139
   89    H    THR  13           H        THR  13   6.349  -7.823  -0.287
   90    HA   THR  13           HA       THR  13   8.694  -7.511  -1.953
   91    HB   THR  13           HB       THR  13   7.658  -9.605  -2.872
   92    HG1  THR  13           1HG      THR  13   8.211  -8.983  -4.806
   93   1HG2  THR  13          1HG2      THR  13   5.447  -8.008  -4.073
   94   2HG2  THR  13          2HG2      THR  13   5.273  -8.479  -2.384
   95   3HG2  THR  13          3HG2      THR  13   5.489  -9.714  -3.624
   96    H    GLN  14           H        GLN  14   7.758  -5.516  -0.610
   97    HA   GLN  14           HA       GLN  14   6.365  -3.799  -2.604
   98   1HB   GLN  14          2HB       GLN  14   4.779  -4.912  -0.907
   99   2HB   GLN  14          1HB       GLN  14   5.541  -3.883   0.307
  100   1HG   GLN  14          2HG       GLN  14   4.953  -2.191  -1.876
  101   2HG   GLN  14          1HG       GLN  14   3.522  -3.193  -1.648
  102   1HE2  GLN  14          1HE2      GLN  14   2.686  -0.887  -0.968
  103   2HE2  GLN  14          2HE2      GLN  14   2.840  -0.493   0.676
  104    H    LYS  15           H        LYS  15   8.279  -2.555  -2.869
  105    HA   LYS  15           HA       LYS  15   9.639  -1.445  -0.485
  106   1HB   LYS  15          2HB       LYS  15  10.564  -2.401  -2.803
  107   2HB   LYS  15          1HB       LYS  15  10.339  -0.725  -3.301
  108   1HG   LYS  15          2HG       LYS  15  11.565  -0.289  -0.949
  109   2HG   LYS  15          1HG       LYS  15  12.245  -1.874  -1.319
  110   1HD   LYS  15          2HD       LYS  15  12.451  -0.597  -3.746
  111   2HD   LYS  15          1HD       LYS  15  12.735   0.726  -2.615
  112   1HE   LYS  15          2HE       LYS  15  14.783  -0.083  -2.047
  113   2HE   LYS  15          1HE       LYS  15  14.156  -1.732  -1.852
  114   1HZ   LYS  15          1HZ       LYS  15  14.739  -0.379  -4.437
  115   2HZ   LYS  15          2HZ       LYS  15  14.073  -1.936  -4.274
  116   3HZ   LYS  15          3HZ       LYS  15  15.656  -1.624  -3.740
  117    H    ILE  16           H        ILE  16   6.842  -0.568  -1.392
  118    HA   ILE  16           HA       ILE  16   7.447   2.352  -1.716
  119    HB   ILE  16           HB       ILE  16   6.398   1.319  -3.685
  120   1HG1  ILE  16          2HG1      ILE  16   4.182   2.687  -3.603
  121   2HG1  ILE  16          1HG1      ILE  16   4.741   3.203  -2.012
  122   1HG2  ILE  16          1HG2      ILE  16   4.941  -0.138  -1.715
  123   2HG2  ILE  16          2HG2      ILE  16   4.886  -0.329  -3.465
  124   3HG2  ILE  16          3HG2      ILE  16   3.775   0.779  -2.663
  125   1HD1  ILE  16          1HD1      ILE  16   6.300   3.496  -4.598
  126   2HD1  ILE  16          2HD1      ILE  16   6.832   4.036  -3.006
  127   3HD1  ILE  16          3HD1      ILE  16   5.438   4.795  -3.773
  128    HA   PRO  17           HA       PRO  17   5.443   2.592   2.248
  129   1HB   PRO  17          2HB       PRO  17   5.529   5.312   2.499
  130   2HB   PRO  17          1HB       PRO  17   6.949   4.274   2.737
  131   1HG   PRO  17          2HG       PRO  17   6.206   5.958   0.411
  132   2HG   PRO  17          1HG       PRO  17   7.803   5.596   1.082
  133   1HD   PRO  17          2HD       PRO  17   6.739   4.413  -1.169
  134   2HD   PRO  17          1HD       PRO  17   8.037   3.719  -0.175
  135    H    CYS  18           H        CYS  18   3.257   2.528   2.614
  136    HA   CYS  18           HA       CYS  18   1.391   3.813   0.699
  137   1HB   CYS  18          2HB       CYS  18   1.378   1.659   2.757
  138   2HB   CYS  18          1HB       CYS  18  -0.146   2.515   2.525
  139    H    CYS  19           H        CYS  19  -0.489   5.076   1.615
  140    HA   CYS  19           HA       CYS  19   0.397   7.157   3.425
  141   1HB   CYS  19          2HB       CYS  19  -2.315   6.349   2.327
  142   2HB   CYS  19          1HB       CYS  19  -2.033   7.833   3.231
  143    H    GLY  20           H        GLY  20  -2.040   4.542   3.786
  144   1HA   GLY  20          2HA       GLY  20  -2.065   4.990   6.721
  145   2HA   GLY  20          1HA       GLY  20  -3.183   3.957   5.826
  146    H    VAL  21           H        VAL  21  -2.828   1.806   6.082
  147    HA   VAL  21           HA       VAL  21  -0.012   0.839   6.412
  148    HB   VAL  21           HB       VAL  21  -2.219  -0.426   7.996
  149   1HG1  VAL  21          1HG1      VAL  21   0.054  -0.112   9.556
  150   2HG1  VAL  21          2HG1      VAL  21   0.701  -0.345   7.932
  151   3HG1  VAL  21          3HG1      VAL  21  -0.373  -1.552   8.634
  152   1HG2  VAL  21          1HG2      VAL  21  -2.629   1.877   8.571
  153   2HG2  VAL  21          2HG2      VAL  21  -0.903   2.225   8.666
  154   3HG2  VAL  21          3HG2      VAL  21  -1.664   1.199   9.883
  155    H    CYS  22           H        CYS  22  -0.058  -1.684   6.221
  156    HA   CYS  22           HA       CYS  22  -1.624  -2.352   3.791
  157   1HB   CYS  22          2HB       CYS  22   0.830  -3.300   5.195
  158   2HB   CYS  22          1HB       CYS  22  -0.056  -4.504   4.261
  159    H    SER  23           H        SER  23  -3.725  -2.812   4.536
  160    HA   SER  23           HA       SER  23  -3.976  -5.167   6.379
  161   1HB   SER  23          2HB       SER  23  -4.592  -2.673   7.102
  162   2HB   SER  23          1HB       SER  23  -6.070  -3.026   6.213
  163    HG   SER  23           HG       SER  23  -6.607  -4.492   7.671
  164    H    HIS  24           H        HIS  24  -5.402  -6.753   5.648
  165    HA   HIS  24           HA       HIS  24  -6.761  -7.936   4.128
  166   1HB   HIS  24          2HB       HIS  24  -7.856  -5.274   4.589
  167   2HB   HIS  24          1HB       HIS  24  -8.320  -5.888   3.003
  168    HD1  HIS  24           1HD      HIS  24  -8.779  -8.797   3.421
  169    HD2  HIS  24           2HD      HIS  24  -9.900  -5.992   6.297
  170    HE1  HIS  24           1HE      HIS  24 -10.554  -9.905   4.849
  171    H    ASN  25           H        ASN  25  -4.203  -7.126   3.120
  172    HA   ASN  25           HA       ASN  25  -3.022  -7.003   1.092
  173   1HB   ASN  25          2HB       ASN  25  -5.039  -8.751   0.805
  174   2HB   ASN  25          1HB       ASN  25  -5.537  -7.575  -0.411
  175   1HD2  ASN  25          1HD2      ASN  25  -3.966  -7.114  -2.194
  176   2HD2  ASN  25          2HD2      ASN  25  -2.779  -8.263  -2.585
  177    H    LYS  26           H        LYS  26  -4.237  -4.507   2.082
  178    HA   LYS  26           HA       LYS  26  -4.070  -2.963  -0.411
  179   1HB   LYS  26          2HB       LYS  26  -6.322  -2.006  -0.207
  180   2HB   LYS  26          1HB       LYS  26  -6.426  -3.761  -0.339
  181   1HG   LYS  26          2HG       LYS  26  -7.147  -4.019   1.826
  182   2HG   LYS  26          1HG       LYS  26  -6.225  -2.634   2.411
  183   1HD   LYS  26          2HD       LYS  26  -8.518  -2.169   0.531
  184   2HD   LYS  26          1HD       LYS  26  -8.850  -2.482   2.236
  185   1HE   LYS  26          2HE       LYS  26  -7.496  -0.590   2.919
  186   2HE   LYS  26          1HE       LYS  26  -6.925  -0.343   1.257
  187   1HZ   LYS  26          1HZ       LYS  26  -9.771  -0.244   2.119
  188   2HZ   LYS  26          2HZ       LYS  26  -9.189   0.040   0.548
  189   3HZ   LYS  26          3HZ       LYS  26  -8.806   1.115   1.806
  190    H    CYS  27           H        CYS  27  -4.293  -0.538   0.122
  191    HA   CYS  27           HA       CYS  27  -3.129  -0.037   2.837
  192   1HB   CYS  27          2HB       CYS  27  -2.824   1.261   0.124
  193   2HB   CYS  27          1HB       CYS  27  -2.224   2.021   1.599
  194    H    THR  28           H        THR  28  -4.262   1.280   4.212
  195    HA   THR  28           HA       THR  28  -6.787   2.503   3.257
  196    HB   THR  28           HB       THR  28  -7.004   2.906   5.782
  197    HG1  THR  28           1HG      THR  28  -5.315   2.533   6.941
  198   1HG2  THR  28          1HG2      THR  28  -6.991   0.284   6.188
  199   2HG2  THR  28          2HG2      THR  28  -6.746   0.245   4.442
  200   3HG2  THR  28          3HG2      THR  28  -8.175   1.028   5.114
  Start of MODEL    5
    1   1H    LYS   1          1HT       LYS   1   5.807  11.131   0.374
    2   2H    LYS   1          2HT       LYS   1   6.036  12.159  -0.959
    3   3H    LYS   1          3HT       LYS   1   6.576  10.549  -1.020
    4    HA   LYS   1           HA       LYS   1   3.743  11.466  -0.923
    5   1HB   LYS   1          2HB       LYS   1   3.705  10.669  -3.210
    6   2HB   LYS   1          1HB       LYS   1   5.101  11.731  -3.041
    7   1HG   LYS   1          2HG       LYS   1   6.019   9.158  -2.328
    8   2HG   LYS   1          1HG       LYS   1   5.024   8.927  -3.767
    9   1HD   LYS   1          2HD       LYS   1   6.637   9.799  -5.065
   10   2HD   LYS   1          1HD       LYS   1   6.641  11.283  -4.111
   11   1HE   LYS   1          2HE       LYS   1   8.844  10.504  -3.812
   12   2HE   LYS   1          1HE       LYS   1   8.027   9.824  -2.391
   13   1HZ   LYS   1          1HZ       LYS   1   9.223   8.084  -3.534
   14   2HZ   LYS   1          2HZ       LYS   1   8.452   8.459  -4.999
   15   3HZ   LYS   1          3HZ       LYS   1   7.558   7.817  -3.705
   16    H    CYS   2           H        CYS   2   2.382   9.412  -1.658
   17    HA   CYS   2           HA       CYS   2   3.384   6.828  -0.657
   18   1HB   CYS   2          2HB       CYS   2   1.759   6.737   1.191
   19   2HB   CYS   2          1HB       CYS   2   2.819   8.132   1.384
   20    H    LEU   3           H        LEU   3   1.491   5.179  -0.704
   21    HA   LEU   3           HA       LEU   3   0.077   5.440  -3.257
   22   1HB   LEU   3          2HB       LEU   3   0.044   3.363  -1.040
   23   2HB   LEU   3          1HB       LEU   3  -0.714   3.149  -2.616
   24    HG   LEU   3           HG       LEU   3   1.980   4.034  -3.027
   25   1HD1  LEU   3          1HD1      LEU   3   2.708   1.584  -1.995
   26   2HD1  LEU   3          2HD1      LEU   3   1.594   2.187  -0.769
   27   3HD1  LEU   3          3HD1      LEU   3   3.010   3.138  -1.216
   28   1HD2  LEU   3          1HD2      LEU   3   1.980   2.292  -4.549
   29   2HD2  LEU   3          2HD2      LEU   3   0.240   2.450  -4.305
   30   3HD2  LEU   3          3HD2      LEU   3   1.140   1.194  -3.453
   31    HA   PRO   4           HA       PRO   4  -3.709   7.005  -1.629
   32   1HB   PRO   4          2HB       PRO   4  -5.492   5.988  -3.439
   33   2HB   PRO   4          1HB       PRO   4  -4.389   7.325  -3.815
   34   1HG   PRO   4          2HG       PRO   4  -4.181   4.447  -4.521
   35   2HG   PRO   4          1HG       PRO   4  -3.745   5.878  -5.469
   36   1HD   PRO   4          2HD       PRO   4  -1.931   4.312  -4.145
   37   2HD   PRO   4          1HD       PRO   4  -1.672   6.029  -4.522
   38    HA   PRO   5           HA       PRO   5  -5.501   3.780   0.779
   39   1HB   PRO   5          2HB       PRO   5  -7.944   4.870   1.377
   40   2HB   PRO   5          1HB       PRO   5  -6.428   5.442   2.098
   41   1HG   PRO   5          2HG       PRO   5  -8.050   6.627  -0.082
   42   2HG   PRO   5          1HG       PRO   5  -7.094   7.421   1.176
   43   1HD   PRO   5          2HD       PRO   5  -6.298   7.105  -1.449
   44   2HD   PRO   5          1HD       PRO   5  -5.201   7.393  -0.084
   45    H    GLY   6           H        GLY   6  -6.394   1.868   0.094
   46   1HA   GLY   6          2HA       GLY   6  -8.468   0.718  -0.703
   47   2HA   GLY   6          1HA       GLY   6  -8.596   1.975  -1.933
   48    H    LYS   7           H        LYS   7  -5.632   1.943  -2.399
   49    HA   LYS   7           HA       LYS   7  -5.541   0.037  -4.540
   50   1HB   LYS   7          2HB       LYS   7  -3.891   2.086  -3.294
   51   2HB   LYS   7          1HB       LYS   7  -2.912   0.705  -3.789
   52   1HG   LYS   7          2HG       LYS   7  -4.619   1.051  -5.942
   53   2HG   LYS   7          1HG       LYS   7  -4.280   2.706  -5.438
   54   1HD   LYS   7          2HD       LYS   7  -1.788   1.752  -5.291
   55   2HD   LYS   7          1HD       LYS   7  -2.414   0.626  -6.495
   56   1HE   LYS   7          2HE       LYS   7  -2.943   2.378  -8.022
   57   2HE   LYS   7          1HE       LYS   7  -2.787   3.622  -6.767
   58   1HZ   LYS   7          1HZ       LYS   7  -0.453   3.060  -6.530
   59   2HZ   LYS   7          2HZ       LYS   7  -0.784   3.493  -8.139
   60   3HZ   LYS   7          3HZ       LYS   7  -0.589   1.858  -7.720
   61    HA   PRO   8           HA       PRO   8  -4.502  -3.596  -2.240
   62   1HB   PRO   8          2HB       PRO   8  -3.565  -5.126  -4.310
   63   2HB   PRO   8          1HB       PRO   8  -5.293  -4.810  -4.040
   64   1HG   PRO   8          2HG       PRO   8  -3.416  -3.540  -5.968
   65   2HG   PRO   8          1HG       PRO   8  -5.115  -3.991  -6.175
   66   1HD   PRO   8          2HD       PRO   8  -4.281  -1.436  -5.708
   67   2HD   PRO   8          1HD       PRO   8  -5.881  -2.050  -5.237
   68    H    CYS   9           H        CYS   9  -2.675  -4.070  -1.067
   69    HA   CYS   9           HA       CYS   9  -0.029  -3.204  -2.183
   70   1HB   CYS   9          2HB       CYS   9   0.369  -2.301  -0.131
   71   2HB   CYS   9          1HB       CYS   9  -1.370  -2.443   0.097
   72    H    TYR  10           H        TYR  10   1.849  -4.554  -1.355
   73    HA   TYR  10           HA       TYR  10   1.083  -7.455  -1.228
   74   1HB   TYR  10          2HB       TYR  10   3.100  -5.851  -2.713
   75   2HB   TYR  10          1HB       TYR  10   3.652  -7.416  -2.119
   76    HD1  TYR  10           1HD      TYR  10   0.670  -5.900  -3.833
   77    HD2  TYR  10           2HD      TYR  10   3.280  -9.290  -3.452
   78    HE1  TYR  10           1HE      TYR  10  -0.531  -7.032  -5.684
   79    HE2  TYR  10           2HE      TYR  10   2.080 -10.422  -5.303
   80    HH   TYR  10           HH       TYR  10   0.439  -9.166  -7.469
   81    H    GLY  11           H        GLY  11   2.255  -8.781   0.253
   82   1HA   GLY  11          2HA       GLY  11   3.720  -7.264   2.373
   83   2HA   GLY  11          1HA       GLY  11   2.854  -8.777   2.648
   84    H    ALA  12           H        ALA  12   5.334  -7.707   0.283
   85    HA   ALA  12           HA       ALA  12   7.093  -9.935   1.218
   86   1HB   ALA  12          1HB       ALA  12   5.654 -10.677  -0.680
   87   2HB   ALA  12          2HB       ALA  12   7.363 -10.659  -1.112
   88   3HB   ALA  12          3HB       ALA  12   6.301  -9.360  -1.657
   89    H    THR  13           H        THR  13   7.550  -7.278   1.864
   90    HA   THR  13           HA       THR  13   9.174  -5.577   1.750
   91    HB   THR  13           HB       THR  13  10.570  -7.799   0.220
   92    HG1  THR  13           1HG      THR  13  10.464  -8.634   2.145
   93   1HG2  THR  13          1HG2      THR  13  12.206  -6.289  -0.121
   94   2HG2  THR  13          2HG2      THR  13  12.427  -6.229   1.629
   95   3HG2  THR  13          3HG2      THR  13  11.356  -5.074   0.834
   96    H    GLN  14           H        GLN  14   7.976  -4.114   0.420
   97    HA   GLN  14           HA       GLN  14   8.593  -4.211  -2.514
   98   1HB   GLN  14          2HB       GLN  14   6.528  -2.887  -2.739
   99   2HB   GLN  14          1HB       GLN  14   6.212  -4.365  -1.833
  100   1HG   GLN  14          2HG       GLN  14   7.033  -2.252  -0.031
  101   2HG   GLN  14          1HG       GLN  14   5.672  -1.715  -1.016
  102   1HE2  GLN  14          1HE2      GLN  14   3.786  -2.079   0.153
  103   2HE2  GLN  14          2HE2      GLN  14   3.443  -3.485   1.037
  104    H    LYS  15           H        LYS  15   9.002  -2.091  -3.550
  105    HA   LYS  15           HA       LYS  15  10.661  -0.348  -1.828
  106   1HB   LYS  15          2HB       LYS  15  10.299  -0.947  -4.723
  107   2HB   LYS  15          1HB       LYS  15  10.881   0.668  -4.322
  108   1HG   LYS  15          2HG       LYS  15  12.926  -0.109  -3.769
  109   2HG   LYS  15          1HG       LYS  15  12.242  -1.382  -2.759
  110   1HD   LYS  15          2HD       LYS  15  13.498  -2.406  -4.581
  111   2HD   LYS  15          1HD       LYS  15  11.778  -2.714  -4.822
  112   1HE   LYS  15          2HE       LYS  15  12.371  -1.988  -6.962
  113   2HE   LYS  15          1HE       LYS  15  11.939  -0.434  -6.224
  114   1HZ   LYS  15          1HZ       LYS  15  14.137  -0.327  -7.239
  115   2HZ   LYS  15          2HZ       LYS  15  14.664  -1.626  -6.282
  116   3HZ   LYS  15          3HZ       LYS  15  14.248  -0.146  -5.557
  117    H    ILE  16           H        ILE  16   7.565  -0.355  -1.873
  118    HA   ILE  16           HA       ILE  16   7.276   2.600  -2.176
  119    HB   ILE  16           HB       ILE  16   6.449   1.387  -4.174
  120   1HG1  ILE  16          2HG1      ILE  16   4.069   2.285  -4.071
  121   2HG1  ILE  16          1HG1      ILE  16   4.387   2.693  -2.386
  122   1HG2  ILE  16          1HG2      ILE  16   4.298   0.182  -2.440
  123   2HG2  ILE  16          2HG2      ILE  16   5.807  -0.678  -2.747
  124   3HG2  ILE  16          3HG2      ILE  16   4.753  -0.243  -4.090
  125   1HD1  ILE  16          1HD1      ILE  16   5.936   3.707  -4.786
  126   2HD1  ILE  16          2HD1      ILE  16   6.323   4.071  -3.104
  127   3HD1  ILE  16          3HD1      ILE  16   4.810   4.644  -3.802
  128    HA   PRO  17           HA       PRO  17   5.608   1.650   1.891
  129   1HB   PRO  17          2HB       PRO  17   5.855   4.185   2.875
  130   2HB   PRO  17          1HB       PRO  17   7.223   3.062   2.754
  131   1HG   PRO  17          2HG       PRO  17   6.537   5.389   1.067
  132   2HG   PRO  17          1HG       PRO  17   8.118   4.709   1.467
  133   1HD   PRO  17          2HD       PRO  17   6.729   4.351  -0.930
  134   2HD   PRO  17          1HD       PRO  17   8.121   3.400  -0.374
  135    H    CYS  18           H        CYS  18   3.456   1.736   2.515
  136    HA   CYS  18           HA       CYS  18   1.547   3.299   0.916
  137   1HB   CYS  18          2HB       CYS  18   1.509   1.178   3.033
  138   2HB   CYS  18          1HB       CYS  18   0.047   2.140   2.817
  139    H    CYS  19           H        CYS  19   0.128   4.925   1.810
  140    HA   CYS  19           HA       CYS  19   1.321   6.781   3.641
  141   1HB   CYS  19          2HB       CYS  19  -0.905   6.598   1.900
  142   2HB   CYS  19          1HB       CYS  19  -1.563   7.005   3.485
  143    H    GLY  20           H        GLY  20  -1.377   4.458   4.101
  144   1HA   GLY  20          2HA       GLY  20  -1.134   4.865   7.049
  145   2HA   GLY  20          1HA       GLY  20  -2.555   4.205   6.238
  146    H    VAL  21           H        VAL  21  -2.761   2.045   6.492
  147    HA   VAL  21           HA       VAL  21  -0.283   0.351   6.576
  148    HB   VAL  21           HB       VAL  21  -2.735  -0.356   8.160
  149   1HG1  VAL  21          1HG1      VAL  21  -0.669  -1.001   9.716
  150   2HG1  VAL  21          2HG1      VAL  21   0.195  -0.939   8.180
  151   3HG1  VAL  21          3HG1      VAL  21  -1.172  -2.037   8.382
  152   1HG2  VAL  21          1HG2      VAL  21  -1.691   0.896  10.120
  153   2HG2  VAL  21          2HG2      VAL  21  -2.430   1.921   8.890
  154   3HG2  VAL  21          3HG2      VAL  21  -0.677   1.729   8.943
  155    H    CYS  22           H        CYS  22  -1.029  -2.066   6.261
  156    HA   CYS  22           HA       CYS  22  -2.965  -2.098   3.973
  157   1HB   CYS  22          2HB       CYS  22  -0.431  -2.759   3.860
  158   2HB   CYS  22          1HB       CYS  22  -0.969  -4.256   4.622
  159    H    SER  23           H        SER  23  -4.821  -3.260   4.184
  160    HA   SER  23           HA       SER  23  -5.007  -5.370   6.301
  161   1HB   SER  23          2HB       SER  23  -6.126  -2.777   6.375
  162   2HB   SER  23          1HB       SER  23  -7.462  -3.847   5.957
  163    HG   SER  23           HG       SER  23  -7.235  -4.882   7.831
  164    H    HIS  24           H        HIS  24  -5.755  -7.234   5.338
  165    HA   HIS  24           HA       HIS  24  -6.771  -8.662   3.750
  166   1HB   HIS  24          2HB       HIS  24  -8.656  -7.016   4.652
  167   2HB   HIS  24          1HB       HIS  24  -8.589  -6.384   3.008
  168    HD1  HIS  24           1HD      HIS  24  -8.799  -8.352   1.075
  169    HD2  HIS  24           2HD      HIS  24 -10.239  -9.270   4.877
  170    HE1  HIS  24           1HE      HIS  24 -10.337 -10.345   0.797
  171    H    ASN  25           H        ASN  25  -4.468  -7.274   2.918
  172    HA   ASN  25           HA       ASN  25  -3.250  -6.743   0.979
  173   1HB   ASN  25          2HB       ASN  25  -4.892  -8.785   0.380
  174   2HB   ASN  25          1HB       ASN  25  -5.550  -7.583  -0.731
  175   1HD2  ASN  25          1HD2      ASN  25  -2.733  -9.588  -0.036
  176   2HD2  ASN  25          2HD2      ASN  25  -1.878  -9.198  -1.450
  177    H    LYS  26           H        LYS  26  -4.995  -4.684   2.179
  178    HA   LYS  26           HA       LYS  26  -5.326  -2.928  -0.226
  179   1HB   LYS  26          2HB       LYS  26  -7.306  -3.271   2.058
  180   2HB   LYS  26          1HB       LYS  26  -7.490  -2.165   0.700
  181   1HG   LYS  26          2HG       LYS  26  -6.989  -4.969  -0.072
  182   2HG   LYS  26          1HG       LYS  26  -8.510  -4.705   0.774
  183   1HD   LYS  26          2HD       LYS  26  -9.230  -4.216  -1.354
  184   2HD   LYS  26          1HD       LYS  26  -8.618  -2.620  -0.920
  185   1HE   LYS  26          2HE       LYS  26  -6.569  -2.968  -2.107
  186   2HE   LYS  26          1HE       LYS  26  -6.879  -4.709  -2.265
  187   1HZ   LYS  26          1HZ       LYS  26  -8.850  -4.214  -3.568
  188   2HZ   LYS  26          2HZ       LYS  26  -7.480  -3.520  -4.296
  189   3HZ   LYS  26          3HZ       LYS  26  -8.564  -2.548  -3.423
  190    H    CYS  27           H        CYS  27  -4.192  -1.039   0.162
  191    HA   CYS  27           HA       CYS  27  -3.244  -0.429   2.888
  192   1HB   CYS  27          2HB       CYS  27  -2.715   0.440   0.084
  193   2HB   CYS  27          1HB       CYS  27  -2.327   1.587   1.366
  194    H    THR  28           H        THR  28  -4.089   1.153   4.205
  195    HA   THR  28           HA       THR  28  -6.514   2.596   3.296
  196    HB   THR  28           HB       THR  28  -6.556   3.211   5.763
  197    HG1  THR  28           1HG      THR  28  -4.776   2.924   6.797
  198   1HG2  THR  28          1HG2      THR  28  -7.874   1.348   5.288
  199   2HG2  THR  28          2HG2      THR  28  -6.744   0.686   6.469
  200   3HG2  THR  28          3HG2      THR  28  -6.501   0.385   4.748
  Start of MODEL    6
    1   1H    LYS   1          1HT       LYS   1   5.335  12.358  -0.847
    2   2H    LYS   1          2HT       LYS   1   6.072  11.060  -1.658
    3   3H    LYS   1          3HT       LYS   1   5.618  10.901  -0.030
    4    HA   LYS   1           HA       LYS   1   3.241  11.322  -0.804
    5   1HB   LYS   1          2HB       LYS   1   4.794  10.872  -3.371
    6   2HB   LYS   1          1HB       LYS   1   3.044  10.678  -3.277
    7   1HG   LYS   1          2HG       LYS   1   4.253  13.210  -2.220
    8   2HG   LYS   1          1HG       LYS   1   4.112  13.009  -3.966
    9   1HD   LYS   1          2HD       LYS   1   2.025  13.870  -3.614
   10   2HD   LYS   1          1HD       LYS   1   1.641  12.197  -3.214
   11   1HE   LYS   1          2HE       LYS   1   1.108  12.826  -1.106
   12   2HE   LYS   1          1HE       LYS   1   2.750  13.453  -0.875
   13   1HZ   LYS   1          1HZ       LYS   1   0.684  14.933  -2.405
   14   2HZ   LYS   1          2HZ       LYS   1   2.160  15.519  -1.801
   15   3HZ   LYS   1          3HZ       LYS   1   0.893  15.143  -0.735
   16    H    CYS   2           H        CYS   2   2.019   9.416  -0.623
   17    HA   CYS   2           HA       CYS   2   3.485   6.814  -0.928
   18   1HB   CYS   2          2HB       CYS   2   2.092   6.172   1.158
   19   2HB   CYS   2          1HB       CYS   2   3.471   7.238   1.404
   20    H    LEU   3           H        LEU   3   1.772   4.946  -0.791
   21    HA   LEU   3           HA       LEU   3  -0.064   5.216  -2.983
   22   1HB   LEU   3          2HB       LEU   3   0.349   3.200  -0.767
   23   2HB   LEU   3          1HB       LEU   3  -0.865   2.961  -2.022
   24    HG   LEU   3           HG       LEU   3   1.338   3.633  -3.515
   25   1HD1  LEU   3          1HD1      LEU   3   2.215   2.337  -0.955
   26   2HD1  LEU   3          2HD1      LEU   3   3.017   3.585  -1.906
   27   3HD1  LEU   3          3HD1      LEU   3   3.037   1.910  -2.454
   28   1HD2  LEU   3          1HD2      LEU   3   0.880   0.778  -2.668
   29   2HD2  LEU   3          2HD2      LEU   3   1.234   1.412  -4.274
   30   3HD2  LEU   3          3HD2      LEU   3  -0.366   1.644  -3.568
   31    HA   PRO   4           HA       PRO   4  -3.430   7.125  -0.788
   32   1HB   PRO   4          2HB       PRO   4  -5.369   6.701  -2.683
   33   2HB   PRO   4          1HB       PRO   4  -4.136   7.970  -2.820
   34   1HG   PRO   4          2HG       PRO   4  -4.219   5.272  -4.087
   35   2HG   PRO   4          1HG       PRO   4  -3.726   6.826  -4.778
   36   1HD   PRO   4          2HD       PRO   4  -1.937   4.980  -3.947
   37   2HD   PRO   4          1HD       PRO   4  -1.622   6.727  -3.848
   38    HA   PRO   5           HA       PRO   5  -5.647   3.840   1.109
   39   1HB   PRO   5          2HB       PRO   5  -8.160   4.884   1.462
   40   2HB   PRO   5          1HB       PRO   5  -6.754   5.393   2.417
   41   1HG   PRO   5          2HG       PRO   5  -8.024   6.717   0.069
   42   2HG   PRO   5          1HG       PRO   5  -7.375   7.432   1.554
   43   1HD   PRO   5          2HD       PRO   5  -6.025   7.448  -0.796
   44   2HD   PRO   5          1HD       PRO   5  -5.212   7.403   0.785
   45    H    GLY   6           H        GLY   6  -6.443   1.983   0.239
   46   1HA   GLY   6          2HA       GLY   6  -8.260   0.766  -0.874
   47   2HA   GLY   6          1HA       GLY   6  -8.488   2.156  -1.933
   48    H    LYS   7           H        LYS   7  -5.181   1.660  -1.523
   49    HA   LYS   7           HA       LYS   7  -4.934   0.530  -4.243
   50   1HB   LYS   7          2HB       LYS   7  -3.171   1.819  -2.173
   51   2HB   LYS   7          1HB       LYS   7  -2.422   0.903  -3.481
   52   1HG   LYS   7          2HG       LYS   7  -4.507   2.634  -4.513
   53   2HG   LYS   7          1HG       LYS   7  -3.323   3.563  -3.593
   54   1HD   LYS   7          2HD       LYS   7  -1.508   2.749  -4.934
   55   2HD   LYS   7          1HD       LYS   7  -2.538   1.543  -5.707
   56   1HE   LYS   7          2HE       LYS   7  -3.955   3.697  -6.399
   57   2HE   LYS   7          1HE       LYS   7  -2.381   4.493  -6.205
   58   1HZ   LYS   7          1HZ       LYS   7  -2.813   1.996  -7.760
   59   2HZ   LYS   7          2HZ       LYS   7  -1.373   2.893  -7.652
   60   3HZ   LYS   7          3HZ       LYS   7  -2.723   3.541  -8.453
   61    HA   PRO   8           HA       PRO   8  -4.321  -3.574  -2.699
   62   1HB   PRO   8          2HB       PRO   8  -2.996  -4.652  -4.847
   63   2HB   PRO   8          1HB       PRO   8  -4.742  -4.330  -4.844
   64   1HG   PRO   8          2HG       PRO   8  -2.526  -2.730  -6.033
   65   2HG   PRO   8          1HG       PRO   8  -4.140  -3.076  -6.676
   66   1HD   PRO   8          2HD       PRO   8  -3.485  -0.709  -5.511
   67   2HD   PRO   8          1HD       PRO   8  -5.127  -1.391  -5.469
   68    H    CYS   9           H        CYS   9  -2.751  -4.438  -1.397
   69    HA   CYS   9           HA       CYS   9   0.009  -3.310  -1.535
   70   1HB   CYS   9          2HB       CYS   9  -1.311  -3.113   0.549
   71   2HB   CYS   9          1HB       CYS   9  -1.502  -4.864   0.596
   72    H    TYR  10           H        TYR  10   1.798  -4.703  -1.767
   73    HA   TYR  10           HA       TYR  10   1.154  -7.487  -2.645
   74   1HB   TYR  10          2HB       TYR  10   3.529  -5.649  -3.089
   75   2HB   TYR  10          1HB       TYR  10   3.400  -7.280  -3.746
   76    HD1  TYR  10           1HD      TYR  10   2.497  -3.817  -4.182
   77    HD2  TYR  10           2HD      TYR  10   1.393  -7.832  -5.243
   78    HE1  TYR  10           1HE      TYR  10   1.157  -2.949  -6.077
   79    HE2  TYR  10           2HE      TYR  10   0.053  -6.963  -7.140
   80    HH   TYR  10           HH       TYR  10  -1.057  -4.080  -7.436
   81    H    GLY  11           H        GLY  11   1.028  -8.292  -0.408
   82   1HA   GLY  11          2HA       GLY  11   1.945  -9.420   1.431
   83   2HA   GLY  11          1HA       GLY  11   3.463  -9.451   0.534
   84    H    ALA  12           H        ALA  12   4.758  -8.942   2.340
   85    HA   ALA  12           HA       ALA  12   4.402  -6.168   3.443
   86   1HB   ALA  12          1HB       ALA  12   5.501  -7.150   5.485
   87   2HB   ALA  12          2HB       ALA  12   5.466  -8.725   4.693
   88   3HB   ALA  12          3HB       ALA  12   3.956  -7.908   5.098
   89    H    THR  13           H        THR  13   5.881  -6.749   1.028
   90    HA   THR  13           HA       THR  13   8.542  -5.754   1.844
   91    HB   THR  13           HB       THR  13   8.691  -8.218   1.994
   92    HG1  THR  13           1HG      THR  13  10.578  -7.456   1.330
   93   1HG2  THR  13          1HG2      THR  13   6.913  -8.238  -0.104
   94   2HG2  THR  13          2HG2      THR  13   7.835  -9.637   0.443
   95   3HG2  THR  13          3HG2      THR  13   8.424  -8.665  -0.904
   96    H    GLN  14           H        GLN  14   7.230  -3.993   0.604
   97    HA   GLN  14           HA       GLN  14   7.559  -4.338  -2.364
   98   1HB   GLN  14          2HB       GLN  14   5.863  -2.333  -0.845
   99   2HB   GLN  14          1HB       GLN  14   5.766  -2.724  -2.560
  100   1HG   GLN  14          2HG       GLN  14   4.193  -4.250  -2.043
  101   2HG   GLN  14          1HG       GLN  14   5.450  -5.181  -1.226
  102   1HE2  GLN  14          1HE2      GLN  14   3.522  -2.198  -0.498
  103   2HE2  GLN  14          2HE2      GLN  14   3.180  -2.641   1.102
  104    H    LYS  15           H        LYS  15   8.300  -2.368  -3.530
  105    HA   LYS  15           HA       LYS  15  10.380  -0.923  -1.997
  106   1HB   LYS  15          2HB       LYS  15   9.782  -1.665  -4.789
  107   2HB   LYS  15          1HB       LYS  15  10.484  -0.056  -4.614
  108   1HG   LYS  15          2HG       LYS  15  12.320  -1.041  -3.241
  109   2HG   LYS  15          1HG       LYS  15  11.643  -2.643  -3.534
  110   1HD   LYS  15          2HD       LYS  15  13.176  -2.565  -5.261
  111   2HD   LYS  15          1HD       LYS  15  11.790  -1.840  -6.076
  112   1HE   LYS  15          2HE       LYS  15  13.247   0.197  -4.610
  113   2HE   LYS  15          1HE       LYS  15  14.331  -0.663  -5.720
  114   1HZ   LYS  15          1HZ       LYS  15  12.692  -0.386  -7.481
  115   2HZ   LYS  15          2HZ       LYS  15  13.164   1.125  -6.866
  116   3HZ   LYS  15          3HZ       LYS  15  11.666   0.457  -6.424
  117    H    ILE  16           H        ILE  16   7.313  -0.384  -1.930
  118    HA   ILE  16           HA       ILE  16   7.536   2.572  -2.146
  119    HB   ILE  16           HB       ILE  16   6.622   1.608  -4.241
  120   1HG1  ILE  16          2HG1      ILE  16   4.285   2.831  -4.010
  121   2HG1  ILE  16          1HG1      ILE  16   4.939   3.327  -2.449
  122   1HG2  ILE  16          1HG2      ILE  16   5.589  -0.405  -3.146
  123   2HG2  ILE  16          2HG2      ILE  16   4.518   0.422  -4.276
  124   3HG2  ILE  16          3HG2      ILE  16   4.309   0.646  -2.541
  125   1HD1  ILE  16          1HD1      ILE  16   6.214   3.793  -5.160
  126   2HD1  ILE  16          2HD1      ILE  16   6.965   4.200  -3.618
  127   3HD1  ILE  16          3HD1      ILE  16   5.484   5.018  -4.122
  128    HA   PRO  17           HA       PRO  17   5.559   1.859   1.809
  129   1HB   PRO  17          2HB       PRO  17   5.679   4.448   2.671
  130   2HB   PRO  17          1HB       PRO  17   7.086   3.366   2.675
  131   1HG   PRO  17          2HG       PRO  17   6.376   5.542   0.785
  132   2HG   PRO  17          1HG       PRO  17   7.964   5.023   1.367
  133   1HD   PRO  17          2HD       PRO  17   6.903   4.393  -1.099
  134   2HD   PRO  17          1HD       PRO  17   8.193   3.483  -0.286
  135    H    CYS  18           H        CYS  18   3.406   1.989   2.423
  136    HA   CYS  18           HA       CYS  18   1.522   3.443   0.658
  137   1HB   CYS  18          2HB       CYS  18   1.497   1.215   2.633
  138   2HB   CYS  18          1HB       CYS  18   0.006   2.147   2.497
  139    H    CYS  19           H        CYS  19  -0.089   4.923   1.559
  140    HA   CYS  19           HA       CYS  19   0.917   6.801   3.487
  141   1HB   CYS  19          2HB       CYS  19  -1.855   6.239   2.387
  142   2HB   CYS  19          1HB       CYS  19  -1.462   7.655   3.356
  143    H    GLY  20           H        GLY  20  -1.550   4.218   3.761
  144   1HA   GLY  20          2HA       GLY  20  -1.638   4.621   6.704
  145   2HA   GLY  20          1HA       GLY  20  -2.762   3.633   5.769
  146    H    VAL  21           H        VAL  21  -2.454   1.469   5.961
  147    HA   VAL  21           HA       VAL  21   0.331   0.437   6.367
  148    HB   VAL  21           HB       VAL  21  -1.987  -0.809   7.813
  149   1HG1  VAL  21          1HG1      VAL  21  -0.104  -2.043   8.255
  150   2HG1  VAL  21          2HG1      VAL  21   0.074  -0.837   9.529
  151   3HG1  VAL  21          3HG1      VAL  21   0.980  -0.672   8.023
  152   1HG2  VAL  21          1HG2      VAL  21  -0.511   1.676   8.754
  153   2HG2  VAL  21          2HG2      VAL  21  -1.592   0.704   9.752
  154   3HG2  VAL  21          3HG2      VAL  21  -2.228   1.580   8.362
  155    H    CYS  22           H        CYS  22   0.233  -2.085   6.116
  156    HA   CYS  22           HA       CYS  22  -1.288  -2.669   3.620
  157   1HB   CYS  22          2HB       CYS  22   1.178  -2.984   3.736
  158   2HB   CYS  22          1HB       CYS  22   0.955  -4.145   5.044
  159    H    SER  23           H        SER  23  -3.335  -3.395   4.175
  160    HA   SER  23           HA       SER  23  -3.497  -5.848   5.865
  161   1HB   SER  23          2HB       SER  23  -3.887  -3.807   7.261
  162   2HB   SER  23          1HB       SER  23  -5.213  -3.362   6.192
  163    HG   SER  23           HG       SER  23  -4.977  -5.563   7.948
  164    H    HIS  24           H        HIS  24  -5.220  -7.219   5.244
  165    HA   HIS  24           HA       HIS  24  -6.798  -8.165   3.772
  166   1HB   HIS  24          2HB       HIS  24  -7.527  -5.274   4.106
  167   2HB   HIS  24          1HB       HIS  24  -8.424  -6.231   2.928
  168    HD1  HIS  24           1HD      HIS  24  -9.356  -5.134   5.889
  169    HD2  HIS  24           2HD      HIS  24  -8.489  -9.055   4.772
  170    HE1  HIS  24           1HE      HIS  24 -10.553  -6.631   7.543
  171    H    ASN  25           H        ASN  25  -4.246  -7.536   2.600
  172    HA   ASN  25           HA       ASN  25  -3.214  -7.381   0.492
  173   1HB   ASN  25          2HB       ASN  25  -5.971  -8.392   0.115
  174   2HB   ASN  25          1HB       ASN  25  -5.199  -7.779  -1.346
  175   1HD2  ASN  25          1HD2      ASN  25  -2.884  -8.682  -1.737
  176   2HD2  ASN  25          2HD2      ASN  25  -2.606 -10.298  -1.303
  177    H    LYS  26           H        LYS  26  -4.190  -4.870   1.696
  178    HA   LYS  26           HA       LYS  26  -4.041  -3.171  -0.686
  179   1HB   LYS  26          2HB       LYS  26  -6.249  -2.102  -0.286
  180   2HB   LYS  26          1HB       LYS  26  -6.412  -3.811  -0.683
  181   1HG   LYS  26          2HG       LYS  26  -7.032  -4.395   1.465
  182   2HG   LYS  26          1HG       LYS  26  -6.163  -3.047   2.195
  183   1HD   LYS  26          2HD       LYS  26  -8.354  -2.245   0.392
  184   2HD   LYS  26          1HD       LYS  26  -8.878  -3.112   1.836
  185   1HE   LYS  26          2HE       LYS  26  -7.615  -1.528   3.256
  186   2HE   LYS  26          1HE       LYS  26  -7.094  -0.647   1.805
  187   1HZ   LYS  26          1HZ       LYS  26  -9.919  -1.148   2.596
  188   2HZ   LYS  26          2HZ       LYS  26  -9.407  -0.295   1.217
  189   3HZ   LYS  26          3HZ       LYS  26  -9.104   0.331   2.766
  190    H    CYS  27           H        CYS  27  -4.409  -0.766   0.089
  191    HA   CYS  27           HA       CYS  27  -3.072  -0.447   2.758
  192   1HB   CYS  27          2HB       CYS  27  -2.809   0.946   0.091
  193   2HB   CYS  27          1HB       CYS  27  -2.198   1.678   1.577
  194    H    THR  28           H        THR  28  -4.094   0.889   4.210
  195    HA   THR  28           HA       THR  28  -6.656   2.150   3.411
  196    HB   THR  28           HB       THR  28  -6.726   2.528   5.947
  197    HG1  THR  28           1HG      THR  28  -4.695   2.408   6.625
  198   1HG2  THR  28          1HG2      THR  28  -6.283  -0.355   5.716
  199   2HG2  THR  28          2HG2      THR  28  -7.252   0.293   4.391
  200   3HG2  THR  28          3HG2      THR  28  -7.771   0.529   6.061
  Start of MODEL    7
    1   1H    LYS   1          1HT       LYS   1   6.773   9.062  -1.265
    2   2H    LYS   1          2HT       LYS   1   6.724  10.532  -2.113
    3   3H    LYS   1          3HT       LYS   1   6.368   9.076  -2.912
    4    HA   LYS   1           HA       LYS   1   4.742  10.381  -0.786
    5   1HB   LYS   1          2HB       LYS   1   4.977  10.831  -3.511
    6   2HB   LYS   1          1HB       LYS   1   3.614   9.715  -3.418
    7   1HG   LYS   1          2HG       LYS   1   3.544  11.838  -1.381
    8   2HG   LYS   1          1HG       LYS   1   3.446  12.440  -3.036
    9   1HD   LYS   1          2HD       LYS   1   1.761  10.082  -2.263
   10   2HD   LYS   1          1HD       LYS   1   1.254  11.691  -1.746
   11   1HE   LYS   1          2HE       LYS   1   2.083  11.700  -4.547
   12   2HE   LYS   1          1HE       LYS   1   0.756  10.556  -4.254
   13   1HZ   LYS   1          1HZ       LYS   1  -0.044  12.842  -4.634
   14   2HZ   LYS   1          2HZ       LYS   1   0.822  13.363  -3.268
   15   3HZ   LYS   1          3HZ       LYS   1  -0.461  12.260  -3.096
   16    H    CYS   2           H        CYS   2   3.173   9.074   0.151
   17    HA   CYS   2           HA       CYS   2   3.424   6.181  -0.104
   18   1HB   CYS   2          2HB       CYS   2   1.553   6.248   1.567
   19   2HB   CYS   2          1HB       CYS   2   2.924   7.253   2.022
   20    H    LEU   3           H        LEU   3   1.366   4.819  -0.449
   21    HA   LEU   3           HA       LEU   3   0.138   5.597  -3.018
   22   1HB   LEU   3          2HB       LEU   3  -0.278   3.131  -1.299
   23   2HB   LEU   3          1HB       LEU   3  -0.626   3.289  -3.017
   24    HG   LEU   3           HG       LEU   3   2.083   4.040  -2.701
   25   1HD1  LEU   3          1HD1      LEU   3   3.001   2.717  -1.120
   26   2HD1  LEU   3          2HD1      LEU   3   2.114   1.307  -1.695
   27   3HD1  LEU   3          3HD1      LEU   3   1.363   2.409  -0.546
   28   1HD2  LEU   3          1HD2      LEU   3   2.395   2.463  -4.356
   29   2HD2  LEU   3          2HD2      LEU   3   0.641   2.616  -4.458
   30   3HD2  LEU   3          3HD2      LEU   3   1.360   1.274  -3.565
   31    HA   PRO   4           HA       PRO   4  -3.642   7.100  -1.319
   32   1HB   PRO   4          2HB       PRO   4  -5.388   6.371  -3.313
   33   2HB   PRO   4          1HB       PRO   4  -4.257   7.735  -3.451
   34   1HG   PRO   4          2HG       PRO   4  -4.000   4.955  -4.501
   35   2HG   PRO   4          1HG       PRO   4  -3.608   6.494  -5.285
   36   1HD   PRO   4          2HD       PRO   4  -1.707   4.926  -4.200
   37   2HD   PRO   4          1HD       PRO   4  -1.591   6.700  -4.177
   38    HA   PRO   5           HA       PRO   5  -5.727   3.824   0.703
   39   1HB   PRO   5          2HB       PRO   5  -8.329   4.676   0.802
   40   2HB   PRO   5          1HB       PRO   5  -7.035   5.374   1.796
   41   1HG   PRO   5          2HG       PRO   5  -8.235   6.394  -0.733
   42   2HG   PRO   5          1HG       PRO   5  -7.745   7.278   0.722
   43   1HD   PRO   5          2HD       PRO   5  -6.241   7.210  -1.534
   44   2HD   PRO   5          1HD       PRO   5  -5.538   7.360   0.092
   45    H    GLY   6           H        GLY   6  -6.401   1.823   0.033
   46   1HA   GLY   6          2HA       GLY   6  -7.969   0.342  -1.076
   47   2HA   GLY   6          1HA       GLY   6  -8.312   1.620  -2.237
   48    H    LYS   7           H        LYS   7  -4.985   1.567  -1.824
   49    HA   LYS   7           HA       LYS   7  -4.563   0.348  -4.448
   50   1HB   LYS   7          2HB       LYS   7  -2.837   1.557  -2.281
   51   2HB   LYS   7          1HB       LYS   7  -2.124   0.833  -3.722
   52   1HG   LYS   7          2HG       LYS   7  -4.297   2.925  -3.903
   53   2HG   LYS   7          1HG       LYS   7  -2.591   3.361  -3.805
   54   1HD   LYS   7          2HD       LYS   7  -3.559   1.365  -5.847
   55   2HD   LYS   7          1HD       LYS   7  -3.645   3.098  -6.163
   56   1HE   LYS   7          2HE       LYS   7  -1.065   2.804  -5.196
   57   2HE   LYS   7          1HE       LYS   7  -1.298   1.331  -6.156
   58   1HZ   LYS   7          1HZ       LYS   7  -0.573   3.168  -7.559
   59   2HZ   LYS   7          2HZ       LYS   7  -1.903   4.101  -7.058
   60   3HZ   LYS   7          3HZ       LYS   7  -2.147   2.688  -7.971
   61    HA   PRO   8           HA       PRO   8  -3.759  -3.743  -3.003
   62   1HB   PRO   8          2HB       PRO   8  -2.185  -4.659  -5.050
   63   2HB   PRO   8          1HB       PRO   8  -3.938  -4.428  -5.203
   64   1HG   PRO   8          2HG       PRO   8  -1.714  -2.702  -6.152
   65   2HG   PRO   8          1HG       PRO   8  -3.271  -3.060  -6.913
   66   1HD   PRO   8          2HD       PRO   8  -2.718  -0.735  -5.571
   67   2HD   PRO   8          1HD       PRO   8  -4.352  -1.404  -5.774
   68    H    CYS   9           H        CYS   9  -2.433  -3.311  -1.142
   69    HA   CYS   9           HA       CYS   9   0.446  -2.759  -1.503
   70   1HB   CYS   9          2HB       CYS   9   0.412  -2.469   0.894
   71   2HB   CYS   9          1HB       CYS   9  -1.056  -1.734   0.261
   72    H    TYR  10           H        TYR  10   2.109  -4.242  -1.018
   73    HA   TYR  10           HA       TYR  10   1.263  -7.102  -0.887
   74   1HB   TYR  10          2HB       TYR  10   3.554  -5.522  -1.952
   75   2HB   TYR  10          1HB       TYR  10   3.915  -7.154  -1.388
   76    HD1  TYR  10           1HD      TYR  10   2.507  -5.169  -4.040
   77    HD2  TYR  10           2HD      TYR  10   2.472  -9.085  -2.271
   78    HE1  TYR  10           1HE      TYR  10   1.536  -6.102  -6.123
   79    HE2  TYR  10           2HE      TYR  10   1.504 -10.017  -4.354
   80    HH   TYR  10           HH       TYR  10   1.634  -9.006  -7.055
   81    H    GLY  11           H        GLY  11   2.631  -8.552   0.494
   82   1HA   GLY  11          2HA       GLY  11   2.900  -7.456   3.181
   83   2HA   GLY  11          1HA       GLY  11   3.225  -9.122   2.705
   84    H    ALA  12           H        ALA  12   5.309  -9.542   1.593
   85    HA   ALA  12           HA       ALA  12   7.435  -7.677   2.584
   86   1HB   ALA  12          1HB       ALA  12   7.189 -10.119   3.353
   87   2HB   ALA  12          2HB       ALA  12   8.785  -9.638   2.779
   88   3HB   ALA  12          3HB       ALA  12   7.715 -10.566   1.729
   89    H    THR  13           H        THR  13   5.931  -7.430  -0.038
   90    HA   THR  13           HA       THR  13   8.342  -7.366  -1.798
   91    HB   THR  13           HB       THR  13   5.628  -8.460  -2.609
   92    HG1  THR  13           1HG      THR  13   8.054  -9.772  -1.942
   93   1HG2  THR  13          1HG2      THR  13   7.440  -9.376  -4.417
   94   2HG2  THR  13          2HG2      THR  13   8.156  -7.819  -4.008
   95   3HG2  THR  13          3HG2      THR  13   6.509  -7.895  -4.634
   96    H    GLN  14           H        GLN  14   7.870  -5.041  -0.925
   97    HA   GLN  14           HA       GLN  14   6.522  -3.558  -3.066
   98   1HB   GLN  14          2HB       GLN  14   4.618  -4.152  -1.688
   99   2HB   GLN  14          1HB       GLN  14   5.467  -3.668  -0.219
  100   1HG   GLN  14          2HG       GLN  14   5.389  -1.360  -0.820
  101   2HG   GLN  14          1HG       GLN  14   4.896  -1.731  -2.472
  102   1HE2  GLN  14          1HE2      GLN  14   3.755  -1.659   0.905
  103   2HE2  GLN  14          2HE2      GLN  14   2.106  -1.716   0.520
  104    H    LYS  15           H        LYS  15   7.949  -1.889  -3.409
  105    HA   LYS  15           HA       LYS  15   9.705  -0.969  -1.210
  106   1HB   LYS  15          2HB       LYS  15   9.534  -0.478  -4.193
  107   2HB   LYS  15          1HB       LYS  15  10.715   0.335  -3.164
  108   1HG   LYS  15          2HG       LYS  15  11.458  -1.957  -2.375
  109   2HG   LYS  15          1HG       LYS  15  10.435  -2.645  -3.634
  110   1HD   LYS  15          2HD       LYS  15  12.320  -0.492  -4.464
  111   2HD   LYS  15          1HD       LYS  15  13.026  -2.054  -4.053
  112   1HE   LYS  15          2HE       LYS  15  10.840  -2.763  -5.617
  113   2HE   LYS  15          1HE       LYS  15  11.456  -1.303  -6.413
  114   1HZ   LYS  15          1HZ       LYS  15  13.673  -2.224  -6.376
  115   2HZ   LYS  15          2HZ       LYS  15  12.629  -3.315  -7.153
  116   3HZ   LYS  15          3HZ       LYS  15  13.130  -3.608  -5.556
  117    H    ILE  16           H        ILE  16   6.689  -0.281  -1.591
  118    HA   ILE  16           HA       ILE  16   6.993   2.615  -1.009
  119    HB   ILE  16           HB       ILE  16   6.503   2.220  -3.427
  120   1HG1  ILE  16          2HG1      ILE  16   4.267   3.608  -3.364
  121   2HG1  ILE  16          1HG1      ILE  16   4.555   3.635  -1.625
  122   1HG2  ILE  16          1HG2      ILE  16   5.046   0.132  -2.789
  123   2HG2  ILE  16          2HG2      ILE  16   4.602   1.109  -4.187
  124   3HG2  ILE  16          3HG2      ILE  16   3.746   1.315  -2.662
  125   1HD1  ILE  16          1HD1      ILE  16   7.041   4.230  -2.816
  126   2HD1  ILE  16          2HD1      ILE  16   5.981   5.344  -1.950
  127   3HD1  ILE  16          3HD1      ILE  16   5.847   5.179  -3.701
  128    HA   PRO  17           HA       PRO  17   4.255   0.949   2.155
  129   1HB   PRO  17          2HB       PRO  17   4.472   3.082   3.847
  130   2HB   PRO  17          1HB       PRO  17   5.713   1.820   3.721
  131   1HG   PRO  17          2HG       PRO  17   5.681   4.562   2.587
  132   2HG   PRO  17          1HG       PRO  17   7.034   3.614   3.217
  133   1HD   PRO  17          2HD       PRO  17   6.482   3.973   0.543
  134   2HD   PRO  17          1HD       PRO  17   7.437   2.632   1.210
  135    H    CYS  18           H        CYS  18   2.060   1.396   2.692
  136    HA   CYS  18           HA       CYS  18   0.574   3.171   0.942
  137   1HB   CYS  18          2HB       CYS  18  -0.198   1.723   3.504
  138   2HB   CYS  18          1HB       CYS  18  -1.331   2.388   2.330
  139    H    CYS  19           H        CYS  19  -0.790   5.006   1.741
  140    HA   CYS  19           HA       CYS  19   0.653   6.925   3.292
  141   1HB   CYS  19          2HB       CYS  19  -2.270   6.623   2.541
  142   2HB   CYS  19          1HB       CYS  19  -1.623   8.070   3.312
  143    H    GLY  20           H        GLY  20  -1.757   4.493   4.213
  144   1HA   GLY  20          2HA       GLY  20  -1.462   5.343   7.066
  145   2HA   GLY  20          1HA       GLY  20  -2.876   4.502   6.431
  146    H    VAL  21           H        VAL  21  -2.709   2.237   5.958
  147    HA   VAL  21           HA       VAL  21  -0.167   0.874   6.741
  148    HB   VAL  21           HB       VAL  21  -2.802  -0.161   7.762
  149   1HG1  VAL  21          1HG1      VAL  21  -0.907  -0.498   9.708
  150   2HG1  VAL  21          2HG1      VAL  21   0.083  -0.545   8.249
  151   3HG1  VAL  21          3HG1      VAL  21  -1.255  -1.678   8.445
  152   1HG2  VAL  21          1HG2      VAL  21  -1.187   2.085   9.012
  153   2HG2  VAL  21          2HG2      VAL  21  -2.382   1.133   9.893
  154   3HG2  VAL  21          3HG2      VAL  21  -2.883   2.135   8.531
  155    H    CYS  22           H        CYS  22  -0.560  -1.626   6.338
  156    HA   CYS  22           HA       CYS  22  -2.022  -1.922   3.730
  157   1HB   CYS  22          2HB       CYS  22   0.339  -2.021   3.359
  158   2HB   CYS  22          1HB       CYS  22   0.594  -3.026   4.786
  159    H    SER  23           H        SER  23  -3.883  -3.056   4.206
  160    HA   SER  23           HA       SER  23  -3.614  -5.540   5.871
  161   1HB   SER  23          2HB       SER  23  -4.626  -3.569   7.077
  162   2HB   SER  23          1HB       SER  23  -5.917  -3.560   5.878
  163    HG   SER  23           HG       SER  23  -6.680  -5.409   6.668
  164    H    HIS  24           H        HIS  24  -4.571  -7.325   4.922
  165    HA   HIS  24           HA       HIS  24  -5.632  -8.626   3.258
  166   1HB   HIS  24          2HB       HIS  24  -7.405  -6.210   3.664
  167   2HB   HIS  24          1HB       HIS  24  -7.853  -7.469   2.514
  168    HD1  HIS  24           1HD      HIS  24  -9.851  -8.258   3.980
  169    HD2  HIS  24           2HD      HIS  24  -6.159  -8.537   5.896
  170    HE1  HIS  24           1HE      HIS  24 -10.226  -9.657   6.057
  171    H    ASN  25           H        ASN  25  -3.473  -6.891   2.389
  172    HA   ASN  25           HA       ASN  25  -2.485  -6.155   0.389
  173   1HB   ASN  25          2HB       ASN  25  -4.063  -8.295  -0.204
  174   2HB   ASN  25          1HB       ASN  25  -4.786  -7.070  -1.246
  175   1HD2  ASN  25          1HD2      ASN  25  -3.378  -6.061  -2.902
  176   2HD2  ASN  25          2HD2      ASN  25  -1.936  -6.819  -3.381
  177    H    LYS  26           H        LYS  26  -4.265  -4.339   1.861
  178    HA   LYS  26           HA       LYS  26  -5.090  -2.562  -0.410
  179   1HB   LYS  26          2HB       LYS  26  -6.603  -2.961   2.190
  180   2HB   LYS  26          1HB       LYS  26  -7.133  -2.035   0.789
  181   1HG   LYS  26          2HG       LYS  26  -6.463  -4.739   0.004
  182   2HG   LYS  26          1HG       LYS  26  -7.639  -4.758   1.315
  183   1HD   LYS  26          2HD       LYS  26  -9.132  -4.485  -0.393
  184   2HD   LYS  26          1HD       LYS  26  -8.687  -2.787  -0.227
  185   1HE   LYS  26          2HE       LYS  26  -7.659  -2.767  -2.258
  186   2HE   LYS  26          1HE       LYS  26  -6.811  -4.288  -1.923
  187   1HZ   LYS  26          1HZ       LYS  26  -8.871  -5.489  -2.331
  188   2HZ   LYS  26          2HZ       LYS  26  -8.443  -4.570  -3.695
  189   3HZ   LYS  26          3HZ       LYS  26  -9.682  -4.037  -2.661
  190    H    CYS  27           H        CYS  27  -4.460  -0.415  -0.114
  191    HA   CYS  27           HA       CYS  27  -2.738   0.216   2.190
  192   1HB   CYS  27          2HB       CYS  27  -3.610   1.583  -0.361
  193   2HB   CYS  27          1HB       CYS  27  -2.709   2.466   0.868
  194    H    THR  28           H        THR  28  -3.945   0.565   4.067
  195    HA   THR  28           HA       THR  28  -6.478   2.097   3.943
  196    HB   THR  28           HB       THR  28  -6.535   1.462   6.372
  197    HG1  THR  28           1HG      THR  28  -4.602   1.165   7.145
  198   1HG2  THR  28          1HG2      THR  28  -7.129  -0.745   5.943
  199   2HG2  THR  28          2HG2      THR  28  -5.775  -1.005   4.843
  200   3HG2  THR  28          3HG2      THR  28  -7.168  -0.062   4.316
  Start of MODEL    8
    1   1H    LYS   1          1HT       LYS   1   6.088   8.176  -3.702
    2   2H    LYS   1          2HT       LYS   1   5.908   9.770  -4.261
    3   3H    LYS   1          3HT       LYS   1   4.694   8.619  -4.560
    4    HA   LYS   1           HA       LYS   1   5.460   9.707  -1.894
    5   1HB   LYS   1          2HB       LYS   1   3.331  10.204  -3.953
    6   2HB   LYS   1          1HB       LYS   1   2.928  10.420  -2.250
    7   1HG   LYS   1          2HG       LYS   1   4.519  12.130  -1.959
    8   2HG   LYS   1          1HG       LYS   1   5.414  11.671  -3.408
    9   1HD   LYS   1          2HD       LYS   1   2.566  12.678  -3.536
   10   2HD   LYS   1          1HD       LYS   1   3.947  13.773  -3.582
   11   1HE   LYS   1          2HE       LYS   1   3.950  11.423  -5.454
   12   2HE   LYS   1          1HE       LYS   1   2.930  12.821  -5.847
   13   1HZ   LYS   1          1HZ       LYS   1   5.112  13.202  -6.733
   14   2HZ   LYS   1          2HZ       LYS   1   5.841  12.857  -5.239
   15   3HZ   LYS   1          3HZ       LYS   1   4.887  14.251  -5.419
   16    H    CYS   2           H        CYS   2   3.250   9.192  -0.517
   17    HA   CYS   2           HA       CYS   2   3.244   6.322  -0.127
   18   1HB   CYS   2          2HB       CYS   2   1.893   6.853   1.739
   19   2HB   CYS   2          1HB       CYS   2   2.885   8.293   1.523
   20    H    LEU   3           H        LEU   3   1.408   4.894  -0.389
   21    HA   LEU   3           HA       LEU   3  -0.102   5.342  -2.846
   22   1HB   LEU   3          2HB       LEU   3   0.365   3.196  -0.827
   23   2HB   LEU   3          1HB       LEU   3  -1.114   3.074  -1.782
   24    HG   LEU   3           HG       LEU   3   0.182   3.212  -3.854
   25   1HD1  LEU   3          1HD1      LEU   3   2.677   3.158  -3.734
   26   2HD1  LEU   3          2HD1      LEU   3   2.567   3.417  -1.993
   27   3HD1  LEU   3          3HD1      LEU   3   1.996   4.658  -3.109
   28   1HD2  LEU   3          1HD2      LEU   3  -0.155   1.000  -2.703
   29   2HD2  LEU   3          2HD2      LEU   3   1.440   1.193  -1.975
   30   3HD2  LEU   3          3HD2      LEU   3   1.280   1.052  -3.725
   31    HA   PRO   4           HA       PRO   4  -3.651   7.153  -0.940
   32   1HB   PRO   4          2HB       PRO   4  -5.496   6.617  -2.895
   33   2HB   PRO   4          1HB       PRO   4  -4.261   7.885  -3.047
   34   1HG   PRO   4          2HG       PRO   4  -4.313   5.145  -4.202
   35   2HG   PRO   4          1HG       PRO   4  -3.732   6.659  -4.910
   36   1HD   PRO   4          2HD       PRO   4  -2.082   4.753  -3.860
   37   2HD   PRO   4          1HD       PRO   4  -1.675   6.482  -3.926
   38    HA   PRO   5           HA       PRO   5  -5.930   3.963   1.016
   39   1HB   PRO   5          2HB       PRO   5  -8.458   5.007   1.205
   40   2HB   PRO   5          1HB       PRO   5  -7.096   5.565   2.197
   41   1HG   PRO   5          2HG       PRO   5  -8.266   6.774  -0.261
   42   2HG   PRO   5          1HG       PRO   5  -7.674   7.560   1.213
   43   1HD   PRO   5          2HD       PRO   5  -6.236   7.459  -1.085
   44   2HD   PRO   5          1HD       PRO   5  -5.486   7.501   0.525
   45    H    GLY   6           H        GLY   6  -6.464   2.058   0.033
   46   1HA   GLY   6          2HA       GLY   6  -8.440   0.879  -1.039
   47   2HA   GLY   6          1HA       GLY   6  -8.366   2.134  -2.275
   48    H    LYS   7           H        LYS   7  -5.319   2.058  -2.130
   49    HA   LYS   7           HA       LYS   7  -4.907   0.121  -4.251
   50   1HB   LYS   7          2HB       LYS   7  -3.045   1.793  -2.529
   51   2HB   LYS   7          1HB       LYS   7  -2.520   0.876  -3.942
   52   1HG   LYS   7          2HG       LYS   7  -4.749   2.315  -4.835
   53   2HG   LYS   7          1HG       LYS   7  -3.865   3.452  -3.818
   54   1HD   LYS   7          2HD       LYS   7  -2.621   3.799  -5.695
   55   2HD   LYS   7          1HD       LYS   7  -1.811   2.310  -5.206
   56   1HE   LYS   7          2HE       LYS   7  -2.536   1.287  -7.092
   57   2HE   LYS   7          1HE       LYS   7  -4.217   1.628  -6.641
   58   1HZ   LYS   7          1HZ       LYS   7  -3.944   3.883  -7.494
   59   2HZ   LYS   7          2HZ       LYS   7  -3.652   2.739  -8.713
   60   3HZ   LYS   7          3HZ       LYS   7  -2.352   3.532  -7.961
   61    HA   PRO   8           HA       PRO   8  -4.138  -3.354  -1.560
   62   1HB   PRO   8          2HB       PRO   8  -3.246  -5.076  -3.496
   63   2HB   PRO   8          1HB       PRO   8  -4.961  -4.695  -3.250
   64   1HG   PRO   8          2HG       PRO   8  -3.059  -3.625  -5.275
   65   2HG   PRO   8          1HG       PRO   8  -4.766  -4.068  -5.450
   66   1HD   PRO   8          2HD       PRO   8  -3.913  -1.497  -5.204
   67   2HD   PRO   8          1HD       PRO   8  -5.508  -2.051  -4.650
   68    H    CYS   9           H        CYS   9  -2.325  -3.655  -0.314
   69    HA   CYS   9           HA       CYS   9   0.271  -2.619  -1.187
   70   1HB   CYS   9          2HB       CYS   9   0.742  -2.698   1.069
   71   2HB   CYS   9          1HB       CYS   9  -1.016  -2.780   1.175
   72    H    TYR  10           H        TYR  10   2.269  -4.022  -0.975
   73    HA   TYR  10           HA       TYR  10   1.718  -6.839  -1.860
   74   1HB   TYR  10          2HB       TYR  10   3.368  -4.615  -2.945
   75   2HB   TYR  10          1HB       TYR  10   4.108  -6.215  -2.997
   76    HD1  TYR  10           1HD      TYR  10   3.236  -7.966  -4.417
   77    HD2  TYR  10           2HD      TYR  10   1.220  -4.186  -4.108
   78    HE1  TYR  10           1HE      TYR  10   1.833  -8.557  -6.370
   79    HE2  TYR  10           2HE      TYR  10  -0.184  -4.777  -6.063
   80    HH   TYR  10           HH       TYR  10  -0.713  -7.664  -7.137
   81    H    GLY  11           H        GLY  11   2.985  -8.434  -0.896
   82   1HA   GLY  11          2HA       GLY  11   4.609  -7.593   1.433
   83   2HA   GLY  11          1HA       GLY  11   4.083  -9.239   1.079
   84    H    ALA  12           H        ALA  12   6.251 -10.022   1.367
   85    HA   ALA  12           HA       ALA  12   8.406 -10.648   0.642
   86   1HB   ALA  12          1HB       ALA  12   7.496  -9.756  -2.091
   87   2HB   ALA  12          2HB       ALA  12   6.736 -11.138  -1.303
   88   3HB   ALA  12          3HB       ALA  12   8.463 -11.165  -1.657
   89    H    THR  13           H        THR  13   8.199  -7.960   1.626
   90    HA   THR  13           HA       THR  13   9.471  -5.983   1.727
   91    HB   THR  13           HB       THR  13  11.233  -7.555  -0.184
   92    HG1  THR  13           1HG      THR  13  11.524  -8.770   1.480
   93   1HG2  THR  13          1HG2      THR  13  13.039  -6.164   0.829
   94   2HG2  THR  13          2HG2      THR  13  11.805  -5.247   1.694
   95   3HG2  THR  13          3HG2      THR  13  11.864  -5.204  -0.068
   96    H    GLN  14           H        GLN  14   8.339  -4.333   0.738
   97    HA   GLN  14           HA       GLN  14   8.531  -4.111  -2.251
   98   1HB   GLN  14          2HB       GLN  14   6.366  -3.017  -2.147
   99   2HB   GLN  14          1HB       GLN  14   6.262  -4.513  -1.221
  100   1HG   GLN  14          2HG       GLN  14   6.633  -3.245   0.871
  101   2HG   GLN  14          1HG       GLN  14   6.730  -1.747  -0.058
  102   1HE2  GLN  14          1HE2      GLN  14   4.667  -2.766   2.005
  103   2HE2  GLN  14          2HE2      GLN  14   3.176  -2.569   1.218
  104    H    LYS  15           H        LYS  15   9.086  -2.057  -3.103
  105    HA   LYS  15           HA       LYS  15  10.509  -0.254  -1.233
  106   1HB   LYS  15          2HB       LYS  15  10.316  -0.599  -4.230
  107   2HB   LYS  15          1HB       LYS  15  11.147   0.783  -3.517
  108   1HG   LYS  15          2HG       LYS  15  12.211  -1.273  -2.062
  109   2HG   LYS  15          1HG       LYS  15  11.966  -2.053  -3.624
  110   1HD   LYS  15          2HD       LYS  15  13.259  -0.339  -4.751
  111   2HD   LYS  15          1HD       LYS  15  13.382   0.605  -3.267
  112   1HE   LYS  15          2HE       LYS  15  14.457  -1.615  -2.299
  113   2HE   LYS  15          1HE       LYS  15  14.797  -1.939  -4.010
  114   1HZ   LYS  15          1HZ       LYS  15  16.578  -0.634  -3.014
  115   2HZ   LYS  15          2HZ       LYS  15  15.466   0.565  -2.551
  116   3HZ   LYS  15          3HZ       LYS  15  15.767   0.273  -4.198
  117    H    ILE  16           H        ILE  16   7.455  -0.387  -1.468
  118    HA   ILE  16           HA       ILE  16   7.040   2.542  -1.883
  119    HB   ILE  16           HB       ILE  16   5.959   0.248  -3.352
  120   1HG1  ILE  16          2HG1      ILE  16   7.087   2.234  -4.337
  121   2HG1  ILE  16          1HG1      ILE  16   5.476   1.984  -5.006
  122   1HG2  ILE  16          1HG2      ILE  16   3.930   0.394  -2.176
  123   2HG2  ILE  16          2HG2      ILE  16   3.659   1.448  -3.563
  124   3HG2  ILE  16          3HG2      ILE  16   4.055   2.144  -1.991
  125   1HD1  ILE  16          1HD1      ILE  16   4.571   3.812  -3.858
  126   2HD1  ILE  16          2HD1      ILE  16   6.192   4.396  -4.233
  127   3HD1  ILE  16          3HD1      ILE  16   5.826   3.785  -2.620
  128    HA   PRO  17           HA       PRO  17   5.245   1.640   2.140
  129   1HB   PRO  17          2HB       PRO  17   5.419   4.194   3.078
  130   2HB   PRO  17          1HB       PRO  17   6.805   3.088   3.037
  131   1HG   PRO  17          2HG       PRO  17   6.181   5.387   1.302
  132   2HG   PRO  17          1HG       PRO  17   7.746   4.692   1.742
  133   1HD   PRO  17          2HD       PRO  17   6.366   4.320  -0.679
  134   2HD   PRO  17          1HD       PRO  17   7.788   3.417  -0.119
  135    H    CYS  18           H        CYS  18   3.091   1.791   2.767
  136    HA   CYS  18           HA       CYS  18   1.245   3.338   1.041
  137   1HB   CYS  18          2HB       CYS  18   1.138   1.085   3.004
  138   2HB   CYS  18          1HB       CYS  18  -0.337   2.024   2.770
  139    H    CYS  19           H        CYS  19   0.045   5.111   1.777
  140    HA   CYS  19           HA       CYS  19   0.943   6.738   3.911
  141   1HB   CYS  19          2HB       CYS  19  -1.170   6.657   1.960
  142   2HB   CYS  19          1HB       CYS  19  -1.851   7.154   3.509
  143    H    GLY  20           H        GLY  20  -1.759   4.388   3.864
  144   1HA   GLY  20          2HA       GLY  20  -2.038   4.675   6.815
  145   2HA   GLY  20          1HA       GLY  20  -3.188   3.866   5.748
  146    H    VAL  21           H        VAL  21  -3.207   1.744   6.378
  147    HA   VAL  21           HA       VAL  21  -0.555   0.340   6.579
  148    HB   VAL  21           HB       VAL  21  -2.944  -0.633   8.095
  149   1HG1  VAL  21          1HG1      VAL  21   0.002  -0.836   8.162
  150   2HG1  VAL  21          2HG1      VAL  21  -1.222  -2.022   8.611
  151   3HG1  VAL  21          3HG1      VAL  21  -0.776  -0.745   9.742
  152   1HG2  VAL  21          1HG2      VAL  21  -1.283   1.783   8.877
  153   2HG2  VAL  21          2HG2      VAL  21  -2.252   0.859  10.026
  154   3HG2  VAL  21          3HG2      VAL  21  -3.037   1.709   8.696
  155    H    CYS  22           H        CYS  22  -0.953  -2.137   6.285
  156    HA   CYS  22           HA       CYS  22  -2.688  -2.474   3.887
  157   1HB   CYS  22          2HB       CYS  22  -0.257  -3.075   3.862
  158   2HB   CYS  22          1HB       CYS  22  -0.581  -4.296   5.094
  159    H    SER  23           H        SER  23  -4.746  -3.029   4.480
  160    HA   SER  23           HA       SER  23  -5.082  -5.360   6.339
  161   1HB   SER  23          2HB       SER  23  -6.500  -2.688   6.234
  162   2HB   SER  23          1HB       SER  23  -7.198  -4.078   7.058
  163    HG   SER  23           HG       SER  23  -5.360  -2.388   7.946
  164    H    HIS  24           H        HIS  24  -6.155  -6.977   5.267
  165    HA   HIS  24           HA       HIS  24  -7.620  -8.069   3.773
  166   1HB   HIS  24          2HB       HIS  24  -8.975  -5.942   4.806
  167   2HB   HIS  24          1HB       HIS  24  -9.025  -5.540   3.089
  168    HD1  HIS  24           1HD      HIS  24  -9.163  -8.510   2.023
  169    HD2  HIS  24           2HD      HIS  24 -11.597  -6.929   5.018
  170    HE1  HIS  24           1HE      HIS  24 -11.250  -9.943   2.082
  171    H    ASN  25           H        ASN  25  -5.117  -7.025   2.801
  172    HA   ASN  25           HA       ASN  25  -3.981  -6.722   0.772
  173   1HB   ASN  25          2HB       ASN  25  -5.733  -8.566   0.290
  174   2HB   ASN  25          1HB       ASN  25  -6.626  -7.304  -0.559
  175   1HD2  ASN  25          1HD2      ASN  25  -3.158  -8.357  -0.390
  176   2HD2  ASN  25          2HD2      ASN  25  -2.914  -8.291  -2.068
  177    H    LYS  26           H        LYS  26  -4.844  -4.334   1.930
  178    HA   LYS  26           HA       LYS  26  -4.944  -2.579  -0.393
  179   1HB   LYS  26          2HB       LYS  26  -7.153  -1.624   0.039
  180   2HB   LYS  26          1HB       LYS  26  -7.307  -3.362  -0.201
  181   1HG   LYS  26          2HG       LYS  26  -8.062  -3.691   1.901
  182   2HG   LYS  26          1HG       LYS  26  -6.813  -2.656   2.593
  183   1HD   LYS  26          2HD       LYS  26  -9.049  -1.364   1.078
  184   2HD   LYS  26          1HD       LYS  26  -9.366  -1.949   2.712
  185   1HE   LYS  26          2HE       LYS  26  -7.923  -0.416   3.691
  186   2HE   LYS  26          1HE       LYS  26  -6.893  -0.309   2.250
  187   1HZ   LYS  26          1HZ       LYS  26  -8.715   0.781   1.079
  188   2HZ   LYS  26          2HZ       LYS  26  -8.273   1.666   2.460
  189   3HZ   LYS  26          3HZ       LYS  26  -9.678   0.710   2.474
  190    H    CYS  27           H        CYS  27  -4.535  -0.380   0.187
  191    HA   CYS  27           HA       CYS  27  -3.527  -0.034   2.975
  192   1HB   CYS  27          2HB       CYS  27  -3.002   1.360   0.335
  193   2HB   CYS  27          1HB       CYS  27  -2.297   1.880   1.866
  194    H    THR  28           H        THR  28  -4.433   1.534   4.303
  195    HA   THR  28           HA       THR  28  -6.858   2.923   3.306
  196    HB   THR  28           HB       THR  28  -6.802   3.578   5.870
  197    HG1  THR  28           1HG      THR  28  -5.512   2.323   7.079
  198   1HG2  THR  28          1HG2      THR  28  -7.968   1.516   6.375
  199   2HG2  THR  28          2HG2      THR  28  -7.184   0.695   5.026
  200   3HG2  THR  28          3HG2      THR  28  -8.356   1.977   4.717
  Start of MODEL    9
    1   1H    LYS   1          1HT       LYS   1   6.919   9.899  -0.823
    2   2H    LYS   1          2HT       LYS   1   6.664  11.426  -1.524
    3   3H    LYS   1          3HT       LYS   1   6.467  10.018  -2.455
    4    HA   LYS   1           HA       LYS   1   4.765  10.849  -0.156
    5   1HB   LYS   1          2HB       LYS   1   4.869  11.729  -2.781
    6   2HB   LYS   1          1HB       LYS   1   3.642  10.464  -2.847
    7   1HG   LYS   1          2HG       LYS   1   3.214  12.011  -0.474
    8   2HG   LYS   1          1HG       LYS   1   3.370  13.118  -1.838
    9   1HD   LYS   1          2HD       LYS   1   1.706  10.702  -2.311
   10   2HD   LYS   1          1HD       LYS   1   1.042  11.892  -1.190
   11   1HE   LYS   1          2HE       LYS   1   2.186  12.830  -3.815
   12   2HE   LYS   1          1HE       LYS   1   0.544  12.161  -3.760
   13   1HZ   LYS   1          1HZ       LYS   1   1.603  14.364  -2.063
   14   2HZ   LYS   1          2HZ       LYS   1   0.059  13.674  -1.905
   15   3HZ   LYS   1          3HZ       LYS   1   0.471  14.523  -3.316
   16    H    CYS   2           H        CYS   2   2.700   9.449  -0.227
   17    HA   CYS   2           HA       CYS   2   3.431   6.603  -0.850
   18   1HB   CYS   2          2HB       CYS   2   1.887   6.127   1.118
   19   2HB   CYS   2          1HB       CYS   2   3.385   6.953   1.525
   20    H    LEU   3           H        LEU   3   1.341   5.216  -1.027
   21    HA   LEU   3           HA       LEU   3  -0.372   6.430  -3.089
   22   1HB   LEU   3          2HB       LEU   3  -0.416   3.678  -1.808
   23   2HB   LEU   3          1HB       LEU   3  -1.169   4.132  -3.335
   24    HG   LEU   3           HG       LEU   3   1.483   4.945  -3.631
   25   1HD1  LEU   3          1HD1      LEU   3   2.900   3.370  -2.721
   26   2HD1  LEU   3          2HD1      LEU   3   1.676   2.100  -2.751
   27   3HD1  LEU   3          3HD1      LEU   3   1.639   3.329  -1.490
   28   1HD2  LEU   3          1HD2      LEU   3  -0.191   3.729  -5.193
   29   2HD2  LEU   3          2HD2      LEU   3   0.453   2.242  -4.500
   30   3HD2  LEU   3          3HD2      LEU   3   1.519   3.341  -5.374
   31    HA   PRO   4           HA       PRO   4  -3.768   7.452  -0.483
   32   1HB   PRO   4          2HB       PRO   4  -5.857   7.037  -2.212
   33   2HB   PRO   4          1HB       PRO   4  -4.765   8.432  -2.323
   34   1HG   PRO   4          2HG       PRO   4  -4.750   5.891  -3.879
   35   2HG   PRO   4          1HG       PRO   4  -4.472   7.551  -4.429
   36   1HD   PRO   4          2HD       PRO   4  -2.452   5.804  -3.996
   37   2HD   PRO   4          1HD       PRO   4  -2.277   7.555  -3.739
   38    HA   PRO   5           HA       PRO   5  -5.553   3.822   1.219
   39   1HB   PRO   5          2HB       PRO   5  -8.142   4.531   1.769
   40   2HB   PRO   5          1HB       PRO   5  -6.753   5.124   2.701
   41   1HG   PRO   5          2HG       PRO   5  -8.286   6.473   0.532
   42   2HG   PRO   5          1HG       PRO   5  -7.642   7.140   2.040
   43   1HD   PRO   5          2HD       PRO   5  -6.434   7.495  -0.360
   44   2HD   PRO   5          1HD       PRO   5  -5.534   7.422   1.172
   45    H    GLY   6           H        GLY   6  -6.063   1.974   0.113
   46   1HA   GLY   6          2HA       GLY   6  -8.059   0.800  -0.967
   47   2HA   GLY   6          1HA       GLY   6  -8.066   2.151  -2.100
   48    H    LYS   7           H        LYS   7  -5.003   2.164  -2.009
   49    HA   LYS   7           HA       LYS   7  -4.522   0.561  -4.336
   50   1HB   LYS   7          2HB       LYS   7  -3.070   2.292  -2.458
   51   2HB   LYS   7          1HB       LYS   7  -2.063   1.002  -3.116
   52   1HG   LYS   7          2HG       LYS   7  -1.837   2.753  -4.687
   53   2HG   LYS   7          1HG       LYS   7  -3.032   1.682  -5.417
   54   1HD   LYS   7          2HD       LYS   7  -4.184   3.710  -3.615
   55   2HD   LYS   7          1HD       LYS   7  -3.383   4.383  -5.035
   56   1HE   LYS   7          2HE       LYS   7  -4.906   3.455  -6.503
   57   2HE   LYS   7          1HE       LYS   7  -5.190   2.038  -5.473
   58   1HZ   LYS   7          1HZ       LYS   7  -6.300   3.497  -3.870
   59   2HZ   LYS   7          2HZ       LYS   7  -7.087   3.514  -5.376
   60   3HZ   LYS   7          3HZ       LYS   7  -6.095   4.816  -4.918
   61    HA   PRO   8           HA       PRO   8  -4.017  -3.360  -2.324
   62   1HB   PRO   8          2HB       PRO   8  -2.998  -4.748  -4.451
   63   2HB   PRO   8          1HB       PRO   8  -4.714  -4.319  -4.305
   64   1HG   PRO   8          2HG       PRO   8  -2.583  -3.067  -5.949
   65   2HG   PRO   8          1HG       PRO   8  -4.302  -3.292  -6.302
   66   1HD   PRO   8          2HD       PRO   8  -3.170  -0.917  -5.484
   67   2HD   PRO   8          1HD       PRO   8  -4.888  -1.334  -5.303
   68    H    CYS   9           H        CYS   9  -2.341  -4.201  -1.108
   69    HA   CYS   9           HA       CYS   9   0.451  -3.380  -1.827
   70   1HB   CYS   9          2HB       CYS   9   0.833  -3.742   0.649
   71   2HB   CYS   9          1HB       CYS   9  -0.312  -2.459   0.273
   72    H    TYR  10           H        TYR  10   1.774  -5.012  -2.499
   73    HA   TYR  10           HA       TYR  10   0.884  -7.808  -2.374
   74   1HB   TYR  10          2HB       TYR  10   3.327  -6.374  -3.458
   75   2HB   TYR  10          1HB       TYR  10   3.068  -8.107  -3.640
   76    HD1  TYR  10           1HD      TYR  10   0.595  -8.734  -4.512
   77    HD2  TYR  10           2HD      TYR  10   2.599  -4.995  -5.190
   78    HE1  TYR  10           1HE      TYR  10  -0.863  -8.307  -6.471
   79    HE2  TYR  10           2HE      TYR  10   1.141  -4.570  -7.149
   80    HH   TYR  10           HH       TYR  10  -1.519  -5.656  -7.731
   81    H    GLY  11           H        GLY  11   0.950  -8.215  -0.061
   82   1HA   GLY  11          2HA       GLY  11   2.004  -9.162   1.817
   83   2HA   GLY  11          1HA       GLY  11   3.503  -9.198   0.888
   84    H    ALA  12           H        ALA  12   4.620  -8.444   2.827
   85    HA   ALA  12           HA       ALA  12   4.186  -5.523   3.387
   86   1HB   ALA  12          1HB       ALA  12   3.652  -7.075   5.245
   87   2HB   ALA  12          2HB       ALA  12   5.044  -6.065   5.642
   88   3HB   ALA  12          3HB       ALA  12   5.283  -7.742   5.149
   89    H    THR  13           H        THR  13   5.922  -6.779   1.275
   90    HA   THR  13           HA       THR  13   8.484  -5.488   2.088
   91    HB   THR  13           HB       THR  13   8.206  -8.274   0.900
   92    HG1  THR  13           1HG      THR  13   8.305  -8.967   2.877
   93   1HG2  THR  13          1HG2      THR  13  10.313  -7.811   0.197
   94   2HG2  THR  13          2HG2      THR  13  10.753  -8.023   1.891
   95   3HG2  THR  13          3HG2      THR  13  10.454  -6.407   1.253
   96    H    GLN  14           H        GLN  14   7.907  -3.811   0.565
   97    HA   GLN  14           HA       GLN  14   8.456  -4.531  -2.262
   98   1HB   GLN  14          2HB       GLN  14   6.387  -3.462  -3.021
   99   2HB   GLN  14          1HB       GLN  14   6.000  -4.743  -1.875
  100   1HG   GLN  14          2HG       GLN  14   6.432  -2.335  -0.388
  101   2HG   GLN  14          1HG       GLN  14   5.335  -1.963  -1.715
  102   1HE2  GLN  14          1HE2      GLN  14   4.035  -1.767   0.594
  103   2HE2  GLN  14          2HE2      GLN  14   3.115  -3.144   0.963
  104    H    LYS  15           H        LYS  15   8.650  -2.472  -3.608
  105    HA   LYS  15           HA       LYS  15  10.154  -0.451  -2.057
  106   1HB   LYS  15          2HB       LYS  15  11.011   0.176  -4.216
  107   2HB   LYS  15          1HB       LYS  15  10.908  -1.585  -4.218
  108   1HG   LYS  15          2HG       LYS  15   8.572  -1.275  -5.266
  109   2HG   LYS  15          1HG       LYS  15   9.062   0.395  -5.558
  110   1HD   LYS  15          2HD       LYS  15  10.215  -0.243  -7.376
  111   2HD   LYS  15          1HD       LYS  15  11.199  -1.319  -6.385
  112   1HE   LYS  15          2HE       LYS  15   8.440  -2.243  -7.100
  113   2HE   LYS  15          1HE       LYS  15   9.689  -2.292  -8.360
  114   1HZ   LYS  15          1HZ       LYS  15  11.145  -3.470  -6.846
  115   2HZ   LYS  15          2HZ       LYS  15   9.686  -4.324  -7.013
  116   3HZ   LYS  15          3HZ       LYS  15   9.980  -3.405  -5.617
  117    H    ILE  16           H        ILE  16   7.094  -0.688  -2.069
  118    HA   ILE  16           HA       ILE  16   6.559   2.173  -2.761
  119    HB   ILE  16           HB       ILE  16   5.471  -0.299  -3.875
  120   1HG1  ILE  16          2HG1      ILE  16   6.395   1.644  -5.136
  121   2HG1  ILE  16          1HG1      ILE  16   4.762   1.218  -5.648
  122   1HG2  ILE  16          1HG2      ILE  16   3.518  -0.176  -2.614
  123   2HG2  ILE  16          2HG2      ILE  16   3.095   0.827  -4.001
  124   3HG2  ILE  16          3HG2      ILE  16   3.588   1.580  -2.486
  125   1HD1  ILE  16          1HD1      ILE  16   5.334   3.734  -5.197
  126   2HD1  ILE  16          2HD1      ILE  16   5.165   3.288  -3.500
  127   3HD1  ILE  16          3HD1      ILE  16   3.805   3.086  -4.603
  128    HA   PRO  17           HA       PRO  17   5.131   1.631   1.485
  129   1HB   PRO  17          2HB       PRO  17   5.568   4.220   2.236
  130   2HB   PRO  17          1HB       PRO  17   6.861   3.009   2.162
  131   1HG   PRO  17          2HG       PRO  17   6.292   5.257   0.354
  132   2HG   PRO  17          1HG       PRO  17   7.816   4.425   0.679
  133   1HD   PRO  17          2HD       PRO  17   6.126   4.083  -1.562
  134   2HD   PRO  17          1HD       PRO  17   7.556   3.122  -1.140
  135    H    CYS  18           H        CYS  18   2.973   1.791   2.033
  136    HA   CYS  18           HA       CYS  18   1.211   3.590   0.469
  137   1HB   CYS  18          2HB       CYS  18   0.972   1.184   2.231
  138   2HB   CYS  18          1HB       CYS  18  -0.443   2.232   2.087
  139    H    CYS  19           H        CYS  19  -0.122   5.200   1.473
  140    HA   CYS  19           HA       CYS  19   0.987   6.744   3.569
  141   1HB   CYS  19          2HB       CYS  19  -1.877   6.466   2.599
  142   2HB   CYS  19          1HB       CYS  19  -1.291   7.793   3.600
  143    H    GLY  20           H        GLY  20  -1.592   4.266   3.718
  144   1HA   GLY  20          2HA       GLY  20  -1.584   4.430   6.682
  145   2HA   GLY  20          1HA       GLY  20  -2.739   3.522   5.704
  146    H    VAL  21           H        VAL  21  -2.466   1.350   5.917
  147    HA   VAL  21           HA       VAL  21   0.320   0.262   5.926
  148    HB   VAL  21           HB       VAL  21  -1.745  -0.959   7.723
  149   1HG1  VAL  21          1HG1      VAL  21   0.257  -2.152   7.747
  150   2HG1  VAL  21          2HG1      VAL  21   0.470  -1.076   9.129
  151   3HG1  VAL  21          3HG1      VAL  21   1.244  -0.699   7.589
  152   1HG2  VAL  21          1HG2      VAL  21  -1.959   1.386   8.340
  153   2HG2  VAL  21          2HG2      VAL  21  -0.206   1.583   8.357
  154   3HG2  VAL  21          3HG2      VAL  21  -0.993   0.578   9.574
  155    H    CYS  22           H        CYS  22   0.156  -2.244   5.676
  156    HA   CYS  22           HA       CYS  22  -1.654  -2.799   3.405
  157   1HB   CYS  22          2HB       CYS  22   0.777  -3.333   3.380
  158   2HB   CYS  22          1HB       CYS  22   0.532  -4.441   4.730
  159    H    SER  23           H        SER  23  -3.669  -3.557   3.891
  160    HA   SER  23           HA       SER  23  -3.940  -5.627   6.047
  161   1HB   SER  23          2HB       SER  23  -6.142  -4.448   6.551
  162   2HB   SER  23          1HB       SER  23  -4.698  -3.523   6.956
  163    HG   SER  23           HG       SER  23  -6.578  -3.149   4.924
  164    H    HIS  24           H        HIS  24  -4.732  -7.467   5.084
  165    HA   HIS  24           HA       HIS  24  -5.867  -8.869   3.555
  166   1HB   HIS  24          2HB       HIS  24  -7.616  -6.419   3.851
  167   2HB   HIS  24          1HB       HIS  24  -8.103  -7.743   2.801
  168    HD1  HIS  24           1HD      HIS  24  -6.213  -8.993   5.673
  169    HD2  HIS  24           2HD      HIS  24 -10.197  -8.028   4.911
  170    HE1  HIS  24           1HE      HIS  24  -7.577 -10.079   7.506
  171    H    ASN  25           H        ASN  25  -3.701  -7.449   2.456
  172    HA   ASN  25           HA       ASN  25  -2.761  -6.863   0.381
  173   1HB   ASN  25          2HB       ASN  25  -4.902  -8.704  -0.037
  174   2HB   ASN  25          1HB       ASN  25  -4.974  -7.511  -1.333
  175   1HD2  ASN  25          1HD2      ASN  25  -3.461 -10.397  -0.423
  176   2HD2  ASN  25          2HD2      ASN  25  -2.125 -10.321  -1.467
  177    H    LYS  26           H        LYS  26  -4.307  -4.844   1.878
  178    HA   LYS  26           HA       LYS  26  -4.993  -3.023  -0.404
  179   1HB   LYS  26          2HB       LYS  26  -6.555  -3.335   2.184
  180   2HB   LYS  26          1HB       LYS  26  -6.964  -2.268   0.844
  181   1HG   LYS  26          2HG       LYS  26  -6.612  -5.055   0.007
  182   2HG   LYS  26          1HG       LYS  26  -7.902  -4.851   1.189
  183   1HD   LYS  26          2HD       LYS  26  -8.842  -4.565  -1.032
  184   2HD   LYS  26          1HD       LYS  26  -8.828  -2.999  -0.223
  185   1HE   LYS  26          2HE       LYS  26  -7.218  -2.135  -1.633
  186   2HE   LYS  26          1HE       LYS  26  -6.406  -3.700  -1.830
  187   1HZ   LYS  26          1HZ       LYS  26  -7.655  -3.019  -3.830
  188   2HZ   LYS  26          2HZ       LYS  26  -9.092  -3.044  -2.925
  189   3HZ   LYS  26          3HZ       LYS  26  -8.217  -4.480  -3.177
  190    H    CYS  27           H        CYS  27  -4.932  -0.699   0.311
  191    HA   CYS  27           HA       CYS  27  -2.997  -0.292   2.573
  192   1HB   CYS  27          2HB       CYS  27  -3.383   1.016  -0.123
  193   2HB   CYS  27          1HB       CYS  27  -2.471   1.815   1.156
  194    H    THR  28           H        THR  28  -4.146   0.527   4.292
  195    HA   THR  28           HA       THR  28  -6.553   2.188   3.818
  196    HB   THR  28           HB       THR  28  -6.674   1.950   6.354
  197    HG1  THR  28           1HG      THR  28  -5.149   0.831   7.356
  198   1HG2  THR  28          1HG2      THR  28  -6.562  -0.396   4.468
  199   2HG2  THR  28          2HG2      THR  28  -7.977   0.409   5.142
  200   3HG2  THR  28          3HG2      THR  28  -6.982  -0.622   6.165
  Start of MODEL   10
    1   1H    LYS   1          1HT       LYS   1   4.787  11.589   0.277
    2   2H    LYS   1          2HT       LYS   1   3.404  11.745  -0.696
    3   3H    LYS   1          3HT       LYS   1   4.829  12.576  -1.102
    4    HA   LYS   1           HA       LYS   1   4.553  10.649  -2.540
    5   1HB   LYS   1          2HB       LYS   1   6.746  11.543  -1.130
    6   2HB   LYS   1          1HB       LYS   1   6.779   9.816  -0.786
    7   1HG   LYS   1          2HG       LYS   1   6.388  10.814  -3.602
    8   2HG   LYS   1          1HG       LYS   1   8.006  10.665  -2.916
    9   1HD   LYS   1          2HD       LYS   1   7.325   8.264  -2.277
   10   2HD   LYS   1          1HD       LYS   1   5.964   8.487  -3.377
   11   1HE   LYS   1          2HE       LYS   1   7.520   8.982  -5.229
   12   2HE   LYS   1          1HE       LYS   1   8.898   8.786  -4.127
   13   1HZ   LYS   1          1HZ       LYS   1   8.363   6.722  -5.338
   14   2HZ   LYS   1          2HZ       LYS   1   6.820   6.715  -4.627
   15   3HZ   LYS   1          3HZ       LYS   1   8.207   6.542  -3.659
   16    H    CYS   2           H        CYS   2   2.487   9.649  -1.499
   17    HA   CYS   2           HA       CYS   2   3.209   6.965  -0.431
   18   1HB   CYS   2          2HB       CYS   2   1.737   7.196   1.450
   19   2HB   CYS   2          1HB       CYS   2   2.732   8.651   1.427
   20    H    LEU   3           H        LEU   3   1.325   5.450  -0.592
   21    HA   LEU   3           HA       LEU   3  -0.160   5.873  -3.087
   22   1HB   LEU   3          2HB       LEU   3   0.427   3.693  -1.134
   23   2HB   LEU   3          1HB       LEU   3  -1.004   3.502  -2.147
   24    HG   LEU   3           HG       LEU   3   0.320   3.761  -4.160
   25   1HD1  LEU   3          1HD1      LEU   3   2.781   4.042  -4.038
   26   2HD1  LEU   3          2HD1      LEU   3   2.662   4.206  -2.286
   27   3HD1  LEU   3          3HD1      LEU   3   1.931   5.420  -3.337
   28   1HD2  LEU   3          1HD2      LEU   3   0.242   1.509  -3.133
   29   2HD2  LEU   3          2HD2      LEU   3   1.699   1.886  -2.214
   30   3HD2  LEU   3          3HD2      LEU   3   1.770   1.776  -3.972
   31    HA   PRO   4           HA       PRO   4  -3.910   7.260  -1.220
   32   1HB   PRO   4          2HB       PRO   4  -5.701   6.429  -3.117
   33   2HB   PRO   4          1HB       PRO   4  -4.618   7.815  -3.350
   34   1HG   PRO   4          2HG       PRO   4  -4.369   5.028  -4.364
   35   2HG   PRO   4          1HG       PRO   4  -3.984   6.560  -5.164
   36   1HD   PRO   4          2HD       PRO   4  -2.102   4.927  -4.057
   37   2HD   PRO   4          1HD       PRO   4  -1.908   6.686  -4.210
   38    HA   PRO   5           HA       PRO   5  -5.709   3.839   0.879
   39   1HB   PRO   5          2HB       PRO   5  -8.257   4.732   1.348
   40   2HB   PRO   5          1HB       PRO   5  -6.838   5.352   2.213
   41   1HG   PRO   5          2HG       PRO   5  -8.341   6.547  -0.058
   42   2HG   PRO   5          1HG       PRO   5  -7.606   7.332   1.348
   43   1HD   PRO   5          2HD       PRO   5  -6.480   7.312  -1.140
   44   2HD   PRO   5          1HD       PRO   5  -5.546   7.450   0.365
   45    H    GLY   6           H        GLY   6  -6.059   1.992  -0.326
   46   1HA   GLY   6          2HA       GLY   6  -8.181   0.750  -1.177
   47   2HA   GLY   6          1HA       GLY   6  -8.208   2.023  -2.397
   48    H    LYS   7           H        LYS   7  -5.131   1.973  -2.387
   49    HA   LYS   7           HA       LYS   7  -4.790   0.170  -4.613
   50   1HB   LYS   7          2HB       LYS   7  -2.899   1.686  -2.789
   51   2HB   LYS   7          1HB       LYS   7  -2.351   0.794  -4.207
   52   1HG   LYS   7          2HG       LYS   7  -4.489   2.934  -4.328
   53   2HG   LYS   7          1HG       LYS   7  -2.778   3.266  -4.597
   54   1HD   LYS   7          2HD       LYS   7  -3.207   2.765  -6.766
   55   2HD   LYS   7          1HD       LYS   7  -3.211   1.087  -6.229
   56   1HE   LYS   7          2HE       LYS   7  -5.285   1.317  -7.369
   57   2HE   LYS   7          1HE       LYS   7  -5.730   1.512  -5.663
   58   1HZ   LYS   7          1HZ       LYS   7  -6.643   3.326  -6.951
   59   2HZ   LYS   7          2HZ       LYS   7  -5.111   3.701  -7.583
   60   3HZ   LYS   7          3HZ       LYS   7  -5.429   3.924  -5.927
   61    HA   PRO   8           HA       PRO   8  -3.984  -3.563  -2.382
   62   1HB   PRO   8          2HB       PRO   8  -2.687  -4.964  -4.340
   63   2HB   PRO   8          1HB       PRO   8  -4.439  -4.688  -4.346
   64   1HG   PRO   8          2HG       PRO   8  -2.299  -3.302  -5.877
   65   2HG   PRO   8          1HG       PRO   8  -3.937  -3.751  -6.376
   66   1HD   PRO   8          2HD       PRO   8  -3.208  -1.219  -5.641
   67   2HD   PRO   8          1HD       PRO   8  -4.861  -1.853  -5.502
   68    H    CYS   9           H        CYS   9  -2.263  -4.494  -1.199
   69    HA   CYS   9           HA       CYS   9   0.513  -3.551  -1.816
   70   1HB   CYS   9          2HB       CYS   9   0.740  -3.218   0.697
   71   2HB   CYS   9          1HB       CYS   9  -0.320  -2.072  -0.117
   72    H    TYR  10           H        TYR  10   2.177  -4.964  -1.016
   73    HA   TYR  10           HA       TYR  10   1.225  -7.728  -0.335
   74   1HB   TYR  10          2HB       TYR  10   3.453  -6.578  -2.001
   75   2HB   TYR  10          1HB       TYR  10   3.618  -8.200  -1.326
   76    HD1  TYR  10           1HD      TYR  10   2.612 -10.042  -2.386
   77    HD2  TYR  10           2HD      TYR  10   1.288  -6.067  -3.341
   78    HE1  TYR  10           1HE      TYR  10   1.192 -10.951  -4.203
   79    HE2  TYR  10           2HE      TYR  10  -0.133  -6.977  -5.157
   80    HH   TYR  10           HH       TYR  10   0.141  -9.466  -6.631
   81    H    GLY  11           H        GLY  11   3.094  -8.975   0.845
   82   1HA   GLY  11          2HA       GLY  11   4.081  -7.217   3.053
   83   2HA   GLY  11          1HA       GLY  11   3.726  -8.936   3.227
   84    H    ALA  12           H        ALA  12   5.067  -9.997   1.011
   85    HA   ALA  12           HA       ALA  12   7.884  -9.624   1.873
   86   1HB   ALA  12          1HB       ALA  12   6.809 -11.862   1.781
   87   2HB   ALA  12          2HB       ALA  12   8.192 -11.763   0.693
   88   3HB   ALA  12          3HB       ALA  12   6.554 -11.654   0.048
   89    H    THR  13           H        THR  13   6.411  -7.686   0.008
   90    HA   THR  13           HA       THR  13   8.597  -7.194  -1.808
   91    HB   THR  13           HB       THR  13   7.579  -9.209  -2.859
   92    HG1  THR  13           1HG      THR  13   7.078  -6.836  -4.329
   93   1HG2  THR  13          1HG2      THR  13   5.199  -8.019  -3.926
   94   2HG2  THR  13          2HG2      THR  13   5.158  -7.896  -2.166
   95   3HG2  THR  13          3HG2      THR  13   5.353  -9.471  -2.935
   96    H    GLN  14           H        GLN  14   7.804  -5.308  -0.283
   97    HA   GLN  14           HA       GLN  14   5.936  -3.596  -1.887
   98   1HB   GLN  14          2HB       GLN  14   5.441  -4.696   0.608
   99   2HB   GLN  14          1HB       GLN  14   6.030  -3.083   1.010
  100   1HG   GLN  14          2HG       GLN  14   4.376  -2.416  -0.998
  101   2HG   GLN  14          1HG       GLN  14   3.568  -3.886  -0.464
  102   1HE2  GLN  14          1HE2      GLN  14   3.212  -0.708  -0.056
  103   2HE2  GLN  14          2HE2      GLN  14   2.772  -0.631   1.582
  104    H    LYS  15           H        LYS  15   7.694  -2.462  -2.861
  105    HA   LYS  15           HA       LYS  15   9.748  -1.211  -1.136
  106   1HB   LYS  15          2HB       LYS  15  10.775  -0.644  -3.273
  107   2HB   LYS  15          1HB       LYS  15  10.237  -2.320  -3.335
  108   1HG   LYS  15          2HG       LYS  15   7.998  -1.026  -4.228
  109   2HG   LYS  15          1HG       LYS  15   9.266   0.027  -4.852
  110   1HD   LYS  15          2HD       LYS  15   9.976  -2.756  -5.248
  111   2HD   LYS  15          1HD       LYS  15   8.401  -2.412  -5.961
  112   1HE   LYS  15          2HE       LYS  15  10.668  -0.484  -6.428
  113   2HE   LYS  15          1HE       LYS  15  10.567  -1.970  -7.392
  114   1HZ   LYS  15          1HZ       LYS  15   9.299  -0.145  -8.400
  115   2HZ   LYS  15          2HZ       LYS  15   8.342  -0.034  -7.000
  116   3HZ   LYS  15          3HZ       LYS  15   8.292  -1.437  -7.959
  117    H    ILE  16           H        ILE  16   6.790  -0.366  -1.180
  118    HA   ILE  16           HA       ILE  16   7.301   2.545  -1.610
  119    HB   ILE  16           HB       ILE  16   6.102   1.515  -3.519
  120   1HG1  ILE  16          2HG1      ILE  16   4.056   2.992  -3.422
  121   2HG1  ILE  16          1HG1      ILE  16   4.468   3.353  -1.746
  122   1HG2  ILE  16          1HG2      ILE  16   3.980   0.450  -3.277
  123   2HG2  ILE  16          2HG2      ILE  16   3.850   0.932  -1.586
  124   3HG2  ILE  16          3HG2      ILE  16   5.028  -0.289  -2.066
  125   1HD1  ILE  16          1HD1      ILE  16   6.077   3.994  -4.228
  126   2HD1  ILE  16          2HD1      ILE  16   6.755   4.085  -2.604
  127   3HD1  ILE  16          3HD1      ILE  16   5.405   5.123  -3.053
  128    HA   PRO  17           HA       PRO  17   5.548   2.517   2.487
  129   1HB   PRO  17          2HB       PRO  17   5.847   5.187   2.977
  130   2HB   PRO  17          1HB       PRO  17   7.201   4.042   3.035
  131   1HG   PRO  17          2HG       PRO  17   6.492   6.024   0.960
  132   2HG   PRO  17          1HG       PRO  17   8.076   5.406   1.442
  133   1HD   PRO  17          2HD       PRO  17   6.627   4.628  -0.812
  134   2HD   PRO  17          1HD       PRO  17   8.018   3.770  -0.116
  135    H    CYS  18           H        CYS  18   3.313   2.131   2.127
  136    HA   CYS  18           HA       CYS  18   1.540   3.902   0.709
  137   1HB   CYS  18          2HB       CYS  18   1.393   1.537   2.509
  138   2HB   CYS  18          1HB       CYS  18  -0.072   2.515   2.405
  139    H    CYS  19           H        CYS  19  -0.021   5.405   1.607
  140    HA   CYS  19           HA       CYS  19   0.935   7.074   3.737
  141   1HB   CYS  19          2HB       CYS  19  -1.199   6.974   1.814
  142   2HB   CYS  19          1HB       CYS  19  -1.884   7.380   3.387
  143    H    GLY  20           H        GLY  20  -1.638   4.578   3.665
  144   1HA   GLY  20          2HA       GLY  20  -1.901   4.787   6.622
  145   2HA   GLY  20          1HA       GLY  20  -2.993   3.904   5.553
  146    H    VAL  21           H        VAL  21  -2.818   1.741   5.885
  147    HA   VAL  21           HA       VAL  21  -0.079   0.549   6.111
  148    HB   VAL  21           HB       VAL  21  -2.321  -0.554   7.765
  149   1HG1  VAL  21          1HG1      VAL  21  -0.399  -1.820   8.028
  150   2HG1  VAL  21          2HG1      VAL  21  -0.190  -0.659   9.338
  151   3HG1  VAL  21          3HG1      VAL  21   0.670  -0.432   7.815
  152   1HG2  VAL  21          1HG2      VAL  21  -0.767   1.965   8.437
  153   2HG2  VAL  21          2HG2      VAL  21  -1.631   1.006   9.639
  154   3HG2  VAL  21          3HG2      VAL  21  -2.520   1.792   8.334
  155    H    CYS  22           H        CYS  22  -0.350  -1.967   5.921
  156    HA   CYS  22           HA       CYS  22  -2.060  -2.488   3.548
  157   1HB   CYS  22          2HB       CYS  22   0.435  -2.994   3.740
  158   2HB   CYS  22          1HB       CYS  22   0.001  -4.271   4.875
  159    H    SER  23           H        SER  23  -4.127  -3.103   4.115
  160    HA   SER  23           HA       SER  23  -4.432  -5.252   6.192
  161   1HB   SER  23          2HB       SER  23  -6.669  -4.080   6.620
  162   2HB   SER  23          1HB       SER  23  -5.240  -3.182   7.121
  163    HG   SER  23           HG       SER  23  -5.767  -1.699   5.736
  164    H    HIS  24           H        HIS  24  -5.402  -7.068   5.341
  165    HA   HIS  24           HA       HIS  24  -6.566  -8.460   3.820
  166   1HB   HIS  24          2HB       HIS  24  -8.186  -6.391   4.558
  167   2HB   HIS  24          1HB       HIS  24  -8.153  -6.151   2.813
  168    HD1  HIS  24           1HD      HIS  24 -10.765  -7.076   4.148
  169    HD2  HIS  24           2HD      HIS  24  -7.931  -9.715   2.601
  170    HE1  HIS  24           1HE      HIS  24 -11.988  -9.240   3.666
  171    H    ASN  25           H        ASN  25  -4.125  -7.053   2.967
  172    HA   ASN  25           HA       ASN  25  -2.848  -6.850   1.007
  173   1HB   ASN  25          2HB       ASN  25  -4.867  -8.685   0.459
  174   2HB   ASN  25          1HB       ASN  25  -4.999  -7.528  -0.865
  175   1HD2  ASN  25          1HD2      ASN  25  -3.091 -10.139   0.416
  176   2HD2  ASN  25          2HD2      ASN  25  -1.858 -10.083  -0.748
  177    H    LYS  26           H        LYS  26  -4.721  -4.679   2.045
  178    HA   LYS  26           HA       LYS  26  -4.786  -3.018  -0.457
  179   1HB   LYS  26          2HB       LYS  26  -6.748  -2.819   1.840
  180   2HB   LYS  26          1HB       LYS  26  -6.909  -2.136   0.225
  181   1HG   LYS  26          2HG       LYS  26  -6.856  -5.101   0.848
  182   2HG   LYS  26          1HG       LYS  26  -8.321  -4.166   0.579
  183   1HD   LYS  26          2HD       LYS  26  -6.192  -4.958  -1.390
  184   2HD   LYS  26          1HD       LYS  26  -7.938  -5.073  -1.543
  185   1HE   LYS  26          2HE       LYS  26  -6.490  -2.406  -1.450
  186   2HE   LYS  26          1HE       LYS  26  -6.860  -3.253  -2.961
  187   1HZ   LYS  26          1HZ       LYS  26  -8.830  -2.498  -0.863
  188   2HZ   LYS  26          2HZ       LYS  26  -9.189  -3.360  -2.284
  189   3HZ   LYS  26          3HZ       LYS  26  -8.658  -1.750  -2.376
  190    H    CYS  27           H        CYS  27  -4.451  -0.706  -0.057
  191    HA   CYS  27           HA       CYS  27  -2.896  -0.176   2.444
  192   1HB   CYS  27          2HB       CYS  27  -2.861   0.751  -0.392
  193   2HB   CYS  27          1HB       CYS  27  -2.366   1.917   0.832
  194    H    THR  28           H        THR  28  -3.981   0.973   3.990
  195    HA   THR  28           HA       THR  28  -6.413   2.505   3.265
  196    HB   THR  28           HB       THR  28  -6.467   2.706   5.834
  197    HG1  THR  28           1HG      THR  28  -4.707   0.589   5.990
  198   1HG2  THR  28          1HG2      THR  28  -6.835   0.107   6.009
  199   2HG2  THR  28          2HG2      THR  28  -6.580   0.150   4.263
  200   3HG2  THR  28          3HG2      THR  28  -7.897   1.075   4.987
  Start of MODEL   11
    1   1H    LYS   1          1HT       LYS   1   4.861  11.006   0.113
    2   2H    LYS   1          2HT       LYS   1   5.900  11.839  -0.943
    3   3H    LYS   1          3HT       LYS   1   6.293  10.271  -0.421
    4    HA   LYS   1           HA       LYS   1   3.976  10.985  -2.152
    5   1HB   LYS   1          2HB       LYS   1   6.816  10.223  -2.556
    6   2HB   LYS   1          1HB       LYS   1   5.659   9.363  -3.570
    7   1HG   LYS   1          2HG       LYS   1   4.794  11.408  -4.475
    8   2HG   LYS   1          1HG       LYS   1   5.662  12.377  -3.285
    9   1HD   LYS   1          2HD       LYS   1   7.588  10.750  -4.611
   10   2HD   LYS   1          1HD       LYS   1   6.572  11.476  -5.857
   11   1HE   LYS   1          2HE       LYS   1   7.446  13.291  -3.655
   12   2HE   LYS   1          1HE       LYS   1   8.692  12.780  -4.809
   13   1HZ   LYS   1          1HZ       LYS   1   7.256  13.429  -6.628
   14   2HZ   LYS   1          2HZ       LYS   1   7.486  14.752  -5.586
   15   3HZ   LYS   1          3HZ       LYS   1   6.029  13.880  -5.546
   16    H    CYS   2           H        CYS   2   2.946   9.702  -0.204
   17    HA   CYS   2           HA       CYS   2   3.448   6.783  -0.265
   18   1HB   CYS   2          2HB       CYS   2   1.873   6.783   1.602
   19   2HB   CYS   2          1HB       CYS   2   3.023   8.099   1.829
   20    H    LEU   3           H        LEU   3   1.372   5.375  -0.387
   21    HA   LEU   3           HA       LEU   3  -0.059   6.073  -2.884
   22   1HB   LEU   3          2HB       LEU   3  -0.037   3.616  -1.098
   23   2HB   LEU   3          1HB       LEU   3  -0.814   3.705  -2.678
   24    HG   LEU   3           HG       LEU   3   2.134   4.246  -2.233
   25   1HD1  LEU   3          1HD1      LEU   3   2.020   1.895  -3.598
   26   2HD1  LEU   3          2HD1      LEU   3   0.612   1.728  -2.551
   27   3HD1  LEU   3          3HD1      LEU   3   2.207   2.001  -1.848
   28   1HD2  LEU   3          1HD2      LEU   3   1.534   5.239  -4.273
   29   2HD2  LEU   3          2HD2      LEU   3   0.307   4.021  -4.617
   30   3HD2  LEU   3          3HD2      LEU   3   2.017   3.621  -4.782
   31    HA   PRO   4           HA       PRO   4  -3.723   7.389  -0.799
   32   1HB   PRO   4          2HB       PRO   4  -5.606   6.756  -2.686
   33   2HB   PRO   4          1HB       PRO   4  -4.502   8.137  -2.844
   34   1HG   PRO   4          2HG       PRO   4  -4.334   5.430  -4.074
   35   2HG   PRO   4          1HG       PRO   4  -3.985   7.014  -4.784
   36   1HD   PRO   4          2HD       PRO   4  -2.040   5.335  -3.921
   37   2HD   PRO   4          1HD       PRO   4  -1.873   7.105  -3.879
   38    HA   PRO   5           HA       PRO   5  -5.470   3.826   1.098
   39   1HB   PRO   5          2HB       PRO   5  -7.954   4.738   1.813
   40   2HB   PRO   5          1HB       PRO   5  -6.463   5.238   2.636
   41   1HG   PRO   5          2HG       PRO   5  -8.058   6.674   0.575
   42   2HG   PRO   5          1HG       PRO   5  -7.230   7.307   2.007
   43   1HD   PRO   5          2HD       PRO   5  -6.225   7.506  -0.522
   44   2HD   PRO   5          1HD       PRO   5  -5.209   7.450   0.935
   45    H    GLY   6           H        GLY   6  -6.162   2.027   0.009
   46   1HA   GLY   6          2HA       GLY   6  -8.324   1.000  -0.913
   47   2HA   GLY   6          1HA       GLY   6  -8.309   2.348  -2.051
   48    H    LYS   7           H        LYS   7  -5.411   2.327  -2.448
   49    HA   LYS   7           HA       LYS   7  -5.185   0.531  -4.650
   50   1HB   LYS   7          2HB       LYS   7  -3.137   1.942  -2.910
   51   2HB   LYS   7          1HB       LYS   7  -2.736   1.137  -4.426
   52   1HG   LYS   7          2HG       LYS   7  -5.015   2.989  -4.634
   53   2HG   LYS   7          1HG       LYS   7  -3.496   3.772  -4.205
   54   1HD   LYS   7          2HD       LYS   7  -2.616   3.440  -6.262
   55   2HD   LYS   7          1HD       LYS   7  -3.177   1.770  -6.322
   56   1HE   LYS   7          2HE       LYS   7  -5.266   3.895  -6.562
   57   2HE   LYS   7          1HE       LYS   7  -4.196   3.644  -7.956
   58   1HZ   LYS   7          1HZ       LYS   7  -5.667   1.497  -6.516
   59   2HZ   LYS   7          2HZ       LYS   7  -4.659   1.284  -7.866
   60   3HZ   LYS   7          3HZ       LYS   7  -6.113   2.144  -8.018
   61    HA   PRO   8           HA       PRO   8  -4.064  -3.294  -2.762
   62   1HB   PRO   8          2HB       PRO   8  -2.368  -4.345  -4.631
   63   2HB   PRO   8          1HB       PRO   8  -4.122  -4.234  -4.875
   64   1HG   PRO   8          2HG       PRO   8  -1.953  -2.492  -5.926
   65   2HG   PRO   8          1HG       PRO   8  -3.443  -3.040  -6.711
   66   1HD   PRO   8          2HD       PRO   8  -3.118  -0.544  -5.643
   67   2HD   PRO   8          1HD       PRO   8  -4.692  -1.351  -5.809
   68    H    CYS   9           H        CYS   9  -2.192  -4.474  -1.816
   69    HA   CYS   9           HA       CYS   9   0.439  -3.132  -1.847
   70   1HB   CYS   9          2HB       CYS   9   0.289  -2.182   0.229
   71   2HB   CYS   9          1HB       CYS   9  -1.441  -2.240  -0.087
   72    H    TYR  10           H        TYR  10   2.083  -4.427  -0.720
   73    HA   TYR  10           HA       TYR  10   1.267  -7.278  -0.253
   74   1HB   TYR  10          2HB       TYR  10   3.492  -6.013  -1.850
   75   2HB   TYR  10          1HB       TYR  10   3.679  -7.649  -1.218
   76    HD1  TYR  10           1HD      TYR  10   2.092  -9.455  -1.902
   77    HD2  TYR  10           2HD      TYR  10   1.990  -5.542  -3.675
   78    HE1  TYR  10           1HE      TYR  10   0.725 -10.337  -3.774
   79    HE2  TYR  10           2HE      TYR  10   0.623  -6.425  -5.545
   80    HH   TYR  10           HH       TYR  10   0.423  -9.244  -6.504
   81    H    GLY  11           H        GLY  11   2.289  -8.279   1.534
   82   1HA   GLY  11          2HA       GLY  11   3.618  -6.435   3.422
   83   2HA   GLY  11          1HA       GLY  11   3.033  -8.053   3.799
   84    H    ALA  12           H        ALA  12   5.757  -6.492   3.914
   85    HA   ALA  12           HA       ALA  12   8.034  -7.080   3.831
   86   1HB   ALA  12          1HB       ALA  12   7.044  -9.904   3.447
   87   2HB   ALA  12          2HB       ALA  12   6.799  -9.052   4.972
   88   3HB   ALA  12          3HB       ALA  12   8.434  -9.345   4.380
   89    H    THR  13           H        THR  13   6.592  -6.569   1.209
   90    HA   THR  13           HA       THR  13   8.754  -7.283  -0.567
   91    HB   THR  13           HB       THR  13   7.643  -9.501  -0.213
   92    HG1  THR  13           1HG      THR  13   7.303  -8.414  -2.813
   93   1HG2  THR  13          1HG2      THR  13   5.310  -8.774  -1.863
   94   2HG2  THR  13          2HG2      THR  13   5.304  -8.075  -0.243
   95   3HG2  THR  13          3HG2      THR  13   5.407  -9.823  -0.450
   96    H    GLN  14           H        GLN  14   8.101  -4.837  -0.528
   97    HA   GLN  14           HA       GLN  14   6.429  -4.361  -2.933
   98   1HB   GLN  14          2HB       GLN  14   5.193  -2.557  -1.603
   99   2HB   GLN  14          1HB       GLN  14   4.795  -4.223  -1.190
  100   1HG   GLN  14          2HG       GLN  14   5.898  -4.127   0.851
  101   2HG   GLN  14          1HG       GLN  14   7.013  -2.872   0.309
  102   1HE2  GLN  14          1HE2      GLN  14   3.408  -3.171   0.602
  103   2HE2  GLN  14          2HE2      GLN  14   3.208  -1.657   1.342
  104    H    LYS  15           H        LYS  15   7.119  -2.532  -4.096
  105    HA   LYS  15           HA       LYS  15   9.582  -1.203  -3.133
  106   1HB   LYS  15          2HB       LYS  15   8.475  -2.039  -5.616
  107   2HB   LYS  15          1HB       LYS  15   8.625  -0.284  -5.690
  108   1HG   LYS  15          2HG       LYS  15  10.788  -0.676  -6.241
  109   2HG   LYS  15          1HG       LYS  15  11.013  -1.015  -4.526
  110   1HD   LYS  15          2HD       LYS  15  10.344  -3.422  -5.044
  111   2HD   LYS  15          1HD       LYS  15  10.492  -2.998  -6.750
  112   1HE   LYS  15          2HE       LYS  15  12.861  -2.119  -6.106
  113   2HE   LYS  15          1HE       LYS  15  12.656  -3.107  -4.647
  114   1HZ   LYS  15          1HZ       LYS  15  13.614  -4.480  -6.340
  115   2HZ   LYS  15          2HZ       LYS  15  12.431  -4.016  -7.469
  116   3HZ   LYS  15          3HZ       LYS  15  12.005  -4.972  -6.128
  117    H    ILE  16           H        ILE  16   6.536  -0.641  -2.401
  118    HA   ILE  16           HA       ILE  16   6.892   2.289  -2.215
  119    HB   ILE  16           HB       ILE  16   5.790   1.687  -4.384
  120   1HG1  ILE  16          2HG1      ILE  16   3.754   3.186  -4.005
  121   2HG1  ILE  16          1HG1      ILE  16   4.206   3.212  -2.302
  122   1HG2  ILE  16          1HG2      ILE  16   4.606  -0.333  -3.485
  123   2HG2  ILE  16          2HG2      ILE  16   3.559   0.751  -4.400
  124   3HG2  ILE  16          3HG2      ILE  16   3.502   0.751  -2.640
  125   1HD1  ILE  16          1HD1      ILE  16   5.096   5.154  -3.663
  126   2HD1  ILE  16          2HD1      ILE  16   6.100   3.993  -4.533
  127   3HD1  ILE  16          3HD1      ILE  16   6.330   4.233  -2.801
  128    HA   PRO  17           HA       PRO  17   5.024   1.094   1.659
  129   1HB   PRO  17          2HB       PRO  17   5.244   3.533   2.875
  130   2HB   PRO  17          1HB       PRO  17   6.613   2.422   2.678
  131   1HG   PRO  17          2HG       PRO  17   5.952   4.889   1.189
  132   2HG   PRO  17          1HG       PRO  17   7.526   4.180   1.564
  133   1HD   PRO  17          2HD       PRO  17   6.216   4.030  -0.889
  134   2HD   PRO  17          1HD       PRO  17   7.571   3.008  -0.370
  135    H    CYS  18           H        CYS  18   2.971   1.372   2.641
  136    HA   CYS  18           HA       CYS  18   0.950   2.838   1.046
  137   1HB   CYS  18          2HB       CYS  18   0.831   1.001   3.464
  138   2HB   CYS  18          1HB       CYS  18  -0.588   1.636   2.638
  139    H    CYS  19           H        CYS  19  -0.037   4.745   1.768
  140    HA   CYS  19           HA       CYS  19   1.159   6.371   3.772
  141   1HB   CYS  19          2HB       CYS  19  -0.765   6.609   1.808
  142   2HB   CYS  19          1HB       CYS  19  -1.711   6.815   3.279
  143    H    GLY  20           H        GLY  20  -1.644   4.158   3.985
  144   1HA   GLY  20          2HA       GLY  20  -1.857   4.741   6.898
  145   2HA   GLY  20          1HA       GLY  20  -3.059   3.873   5.942
  146    H    VAL  21           H        VAL  21  -2.955   1.648   5.919
  147    HA   VAL  21           HA       VAL  21  -0.420   0.333   6.843
  148    HB   VAL  21           HB       VAL  21  -3.094  -0.735   7.689
  149   1HG1  VAL  21          1HG1      VAL  21  -0.277  -1.099   8.330
  150   2HG1  VAL  21          2HG1      VAL  21  -1.651  -2.150   8.677
  151   3HG1  VAL  21          3HG1      VAL  21  -1.248  -0.833   9.778
  152   1HG2  VAL  21          1HG2      VAL  21  -2.876   0.654   9.805
  153   2HG2  VAL  21          2HG2      VAL  21  -3.347   1.565   8.370
  154   3HG2  VAL  21          3HG2      VAL  21  -1.684   1.635   8.952
  155    H    CYS  22           H        CYS  22  -0.674  -2.149   6.442
  156    HA   CYS  22           HA       CYS  22  -1.787  -2.520   3.698
  157   1HB   CYS  22          2HB       CYS  22   0.531  -3.444   5.224
  158   2HB   CYS  22          1HB       CYS  22  -0.324  -4.783   4.458
  159    H    SER  23           H        SER  23  -3.946  -3.001   4.054
  160    HA   SER  23           HA       SER  23  -4.756  -4.916   6.152
  161   1HB   SER  23          2HB       SER  23  -6.319  -3.424   4.025
  162   2HB   SER  23          1HB       SER  23  -6.996  -4.215   5.446
  163    HG   SER  23           HG       SER  23  -5.524  -1.850   5.218
  164    H    HIS  24           H        HIS  24  -6.984  -5.604   4.021
  165    HA   HIS  24           HA       HIS  24  -5.959  -8.198   3.305
  166   1HB   HIS  24          2HB       HIS  24  -8.398  -6.995   3.503
  167   2HB   HIS  24          1HB       HIS  24  -8.197  -7.007   1.752
  168    HD1  HIS  24           1HD      HIS  24  -9.875  -8.890   1.287
  169    HD2  HIS  24           2HD      HIS  24  -6.898 -10.000   3.985
  170    HE1  HIS  24           1HE      HIS  24 -10.084 -11.395   1.594
  171    H    ASN  25           H        ASN  25  -3.885  -7.289   2.302
  172    HA   ASN  25           HA       ASN  25  -2.544  -6.878   0.423
  173   1HB   ASN  25          2HB       ASN  25  -4.884  -8.428  -0.382
  174   2HB   ASN  25          1HB       ASN  25  -4.262  -7.458  -1.717
  175   1HD2  ASN  25          1HD2      ASN  25  -3.259  -9.894   0.722
  176   2HD2  ASN  25          2HD2      ASN  25  -1.933 -10.466  -0.170
  177    H    LYS  26           H        LYS  26  -3.675  -4.561   1.472
  178    HA   LYS  26           HA       LYS  26  -3.706  -2.820  -0.871
  179   1HB   LYS  26          2HB       LYS  26  -6.041  -1.999  -0.470
  180   2HB   LYS  26          1HB       LYS  26  -5.978  -3.682  -0.989
  181   1HG   LYS  26          2HG       LYS  26  -6.752  -4.465   1.006
  182   2HG   LYS  26          1HG       LYS  26  -5.848  -3.274   1.939
  183   1HD   LYS  26          2HD       LYS  26  -8.203  -2.427   0.264
  184   2HD   LYS  26          1HD       LYS  26  -8.449  -3.092   1.879
  185   1HE   LYS  26          2HE       LYS  26  -6.668  -1.346   2.639
  186   2HE   LYS  26          1HE       LYS  26  -7.022  -0.550   1.091
  187   1HZ   LYS  26          1HZ       LYS  26  -8.542   0.274   2.737
  188   2HZ   LYS  26          2HZ       LYS  26  -8.987  -1.301   3.195
  189   3HZ   LYS  26          3HZ       LYS  26  -9.408  -0.708   1.659
  190    H    CYS  27           H        CYS  27  -3.364  -0.642  -0.313
  191    HA   CYS  27           HA       CYS  27  -2.441  -0.107   2.418
  192   1HB   CYS  27          2HB       CYS  27  -2.814   1.770   0.061
  193   2HB   CYS  27          1HB       CYS  27  -1.755   2.018   1.443
  194    H    THR  28           H        THR  28  -3.810   0.617   4.026
  195    HA   THR  28           HA       THR  28  -6.527   1.563   3.341
  196    HB   THR  28           HB       THR  28  -6.024   1.797   6.121
  197    HG1  THR  28           1HG      THR  28  -4.752   0.187   6.631
  198   1HG2  THR  28          1HG2      THR  28  -7.198  -0.527   4.574
  199   2HG2  THR  28          2HG2      THR  28  -8.068   0.949   4.990
  200   3HG2  THR  28          3HG2      THR  28  -7.505  -0.132   6.265
  Start of MODEL   12
    1   1H    LYS   1          1HT       LYS   1   6.372   9.808  -2.279
    2   2H    LYS   1          2HT       LYS   1   5.884  10.519  -0.815
    3   3H    LYS   1          3HT       LYS   1   6.068  11.476  -2.208
    4    HA   LYS   1           HA       LYS   1   3.719  11.077  -1.798
    5   1HB   LYS   1          2HB       LYS   1   4.804  11.223  -4.088
    6   2HB   LYS   1          1HB       LYS   1   4.795   9.458  -4.130
    7   1HG   LYS   1          2HG       LYS   1   2.428   9.355  -4.116
    8   2HG   LYS   1          1HG       LYS   1   2.275  11.032  -3.591
    9   1HD   LYS   1          2HD       LYS   1   3.783  10.975  -6.034
   10   2HD   LYS   1          1HD       LYS   1   2.307  10.037  -6.260
   11   1HE   LYS   1          2HE       LYS   1   1.595  12.385  -4.794
   12   2HE   LYS   1          1HE       LYS   1   2.575  12.891  -6.183
   13   1HZ   LYS   1          1HZ       LYS   1   0.239  12.628  -6.800
   14   2HZ   LYS   1          2HZ       LYS   1   0.274  11.006  -6.292
   15   3HZ   LYS   1          3HZ       LYS   1   1.215  11.506  -7.617
   16    H    CYS   2           H        CYS   2   2.552   9.747  -0.467
   17    HA   CYS   2           HA       CYS   2   3.287   6.925  -0.077
   18   1HB   CYS   2          2HB       CYS   2   1.659   7.047   1.693
   19   2HB   CYS   2          1HB       CYS   2   2.500   8.596   1.686
   20    H    LEU   3           H        LEU   3   1.467   5.249  -0.176
   21    HA   LEU   3           HA       LEU   3   0.238   5.280  -2.831
   22   1HB   LEU   3          2HB       LEU   3   0.131   3.397  -0.450
   23   2HB   LEU   3          1HB       LEU   3  -0.602   3.038  -2.012
   24    HG   LEU   3           HG       LEU   3   2.310   3.797  -1.780
   25   1HD1  LEU   3          1HD1      LEU   3   1.881   0.963  -2.163
   26   2HD1  LEU   3          2HD1      LEU   3   1.133   1.489  -0.654
   27   3HD1  LEU   3          3HD1      LEU   3   2.848   1.782  -0.936
   28   1HD2  LEU   3          1HD2      LEU   3   1.849   1.955  -3.844
   29   2HD2  LEU   3          2HD2      LEU   3   2.078   3.695  -4.025
   30   3HD2  LEU   3          3HD2      LEU   3   0.451   3.032  -3.889
   31    HA   PRO   4           HA       PRO   4  -3.650   6.959  -1.581
   32   1HB   PRO   4          2HB       PRO   4  -5.270   5.882  -3.509
   33   2HB   PRO   4          1HB       PRO   4  -4.145   7.218  -3.827
   34   1HG   PRO   4          2HG       PRO   4  -3.856   4.322  -4.417
   35   2HG   PRO   4          1HG       PRO   4  -3.362   5.723  -5.377
   36   1HD   PRO   4          2HD       PRO   4  -1.632   4.239  -3.878
   37   2HD   PRO   4          1HD       PRO   4  -1.380   5.959  -4.253
   38    HA   PRO   5           HA       PRO   5  -5.567   3.811   0.794
   39   1HB   PRO   5          2HB       PRO   5  -8.058   4.883   1.187
   40   2HB   PRO   5          1HB       PRO   5  -6.600   5.497   1.993
   41   1HG   PRO   5          2HG       PRO   5  -8.074   6.589  -0.341
   42   2HG   PRO   5          1HG       PRO   5  -7.226   7.436   0.959
   43   1HD   PRO   5          2HD       PRO   5  -6.225   7.060  -1.583
   44   2HD   PRO   5          1HD       PRO   5  -5.234   7.380  -0.143
   45    H    GLY   6           H        GLY   6  -6.075   1.880  -0.174
   46   1HA   GLY   6          2HA       GLY   6  -8.115   0.580  -0.930
   47   2HA   GLY   6          1HA       GLY   6  -8.333   1.845  -2.138
   48    H    LYS   7           H        LYS   7  -5.348   2.009  -2.577
   49    HA   LYS   7           HA       LYS   7  -5.095   0.288  -4.812
   50   1HB   LYS   7          2HB       LYS   7  -3.546   2.203  -3.313
   51   2HB   LYS   7          1HB       LYS   7  -2.520   0.828  -3.720
   52   1HG   LYS   7          2HG       LYS   7  -4.098   1.412  -6.018
   53   2HG   LYS   7          1HG       LYS   7  -3.429   2.936  -5.438
   54   1HD   LYS   7          2HD       LYS   7  -1.171   1.879  -5.364
   55   2HD   LYS   7          1HD       LYS   7  -1.867   0.413  -6.056
   56   1HE   LYS   7          2HE       LYS   7  -2.789   2.169  -7.868
   57   2HE   LYS   7          1HE       LYS   7  -1.332   3.044  -7.357
   58   1HZ   LYS   7          1HZ       LYS   7  -1.454   0.204  -8.233
   59   2HZ   LYS   7          2HZ       LYS   7  -0.060   0.987  -7.656
   60   3HZ   LYS   7          3HZ       LYS   7  -0.780   1.490  -9.111
   61    HA   PRO   8           HA       PRO   8  -4.156  -3.637  -3.050
   62   1HB   PRO   8          2HB       PRO   8  -2.590  -4.703  -5.033
   63   2HB   PRO   8          1HB       PRO   8  -4.351  -4.524  -5.176
   64   1HG   PRO   8          2HG       PRO   8  -2.180  -2.812  -6.281
   65   2HG   PRO   8          1HG       PRO   8  -3.711  -3.310  -7.019
   66   1HD   PRO   8          2HD       PRO   8  -3.322  -0.852  -5.933
   67   2HD   PRO   8          1HD       PRO   8  -4.907  -1.655  -5.978
   68    H    CYS   9           H        CYS   9  -2.802  -3.484  -1.281
   69    HA   CYS   9           HA       CYS   9   0.002  -2.590  -1.568
   70   1HB   CYS   9          2HB       CYS   9  -1.279  -1.765   0.296
   71   2HB   CYS   9          1HB       CYS   9  -1.808  -3.389   0.727
   72    H    TYR  10           H        TYR  10   1.801  -3.951  -1.210
   73    HA   TYR  10           HA       TYR  10   1.266  -6.879  -1.417
   74   1HB   TYR  10          2HB       TYR  10   3.390  -4.948  -2.216
   75   2HB   TYR  10          1HB       TYR  10   3.920  -6.584  -1.825
   76    HD1  TYR  10           1HD      TYR  10   1.815  -4.541  -4.072
   77    HD2  TYR  10           2HD      TYR  10   3.269  -8.483  -3.183
   78    HE1  TYR  10           1HE      TYR  10   1.019  -5.333  -6.282
   79    HE2  TYR  10           2HE      TYR  10   2.474  -9.275  -5.393
   80    HH   TYR  10           HH       TYR  10   1.975  -7.698  -7.836
   81    H    GLY  11           H        GLY  11   2.481  -8.363  -0.051
   82   1HA   GLY  11          2HA       GLY  11   3.293  -7.149   2.561
   83   2HA   GLY  11          1HA       GLY  11   2.590  -8.757   2.397
   84    H    ALA  12           H        ALA  12   5.368  -7.444   3.211
   85    HA   ALA  12           HA       ALA  12   7.623  -8.118   3.184
   86   1HB   ALA  12          1HB       ALA  12   6.502 -10.150   4.001
   87   2HB   ALA  12          2HB       ALA  12   7.884 -10.575   2.990
   88   3HB   ALA  12          3HB       ALA  12   6.250 -10.689   2.341
   89    H    THR  13           H        THR  13   6.498  -6.984   0.650
   90    HA   THR  13           HA       THR  13   8.739  -7.475  -1.089
   91    HB   THR  13           HB       THR  13   7.443  -9.632  -1.297
   92    HG1  THR  13           1HG      THR  13   7.984  -9.692  -3.328
   93   1HG2  THR  13          1HG2      THR  13   5.230  -9.687  -1.819
   94   2HG2  THR  13          2HG2      THR  13   5.367  -8.352  -2.962
   95   3HG2  THR  13          3HG2      THR  13   5.229  -8.024  -1.233
   96    H    GLN  14           H        GLN  14   7.958  -5.100  -0.315
   97    HA   GLN  14           HA       GLN  14   6.757  -3.886  -2.745
   98   1HB   GLN  14          2HB       GLN  14   5.228  -2.544  -1.199
   99   2HB   GLN  14          1HB       GLN  14   4.833  -4.252  -1.361
  100   1HG   GLN  14          2HG       GLN  14   5.214  -4.645   0.833
  101   2HG   GLN  14          1HG       GLN  14   6.745  -3.772   0.798
  102   1HE2  GLN  14          1HE2      GLN  14   3.278  -3.436   1.418
  103   2HE2  GLN  14          2HE2      GLN  14   3.365  -1.869   2.065
  104    H    LYS  15           H        LYS  15   8.096  -2.215  -3.311
  105    HA   LYS  15           HA       LYS  15   9.902  -1.024  -1.289
  106   1HB   LYS  15          2HB       LYS  15   9.645  -1.068  -4.285
  107   2HB   LYS  15          1HB       LYS  15  10.656   0.160  -3.520
  108   1HG   LYS  15          2HG       LYS  15  11.862  -1.666  -2.299
  109   2HG   LYS  15          1HG       LYS  15  10.927  -2.845  -3.217
  110   1HD   LYS  15          2HD       LYS  15  12.672  -2.725  -4.680
  111   2HD   LYS  15          1HD       LYS  15  11.855  -1.264  -5.234
  112   1HE   LYS  15          2HE       LYS  15  13.507   0.080  -4.429
  113   2HE   LYS  15          1HE       LYS  15  13.573  -0.797  -2.890
  114   1HZ   LYS  15          1HZ       LYS  15  15.604  -1.122  -4.198
  115   2HZ   LYS  15          2HZ       LYS  15  14.686  -1.774  -5.471
  116   3HZ   LYS  15          3HZ       LYS  15  14.771  -2.583  -3.978
  117    H    ILE  16           H        ILE  16   6.871  -0.449  -1.552
  118    HA   ILE  16           HA       ILE  16   7.123   2.518  -1.458
  119    HB   ILE  16           HB       ILE  16   6.325   1.755  -3.674
  120   1HG1  ILE  16          2HG1      ILE  16   4.090   3.000  -3.622
  121   2HG1  ILE  16          1HG1      ILE  16   4.328   3.153  -1.881
  122   1HG2  ILE  16          1HG2      ILE  16   3.715   0.832  -2.651
  123   2HG2  ILE  16          2HG2      ILE  16   5.064  -0.254  -2.326
  124   3HG2  ILE  16          3HG2      ILE  16   4.688   0.213  -3.984
  125   1HD1  ILE  16          1HD1      ILE  16   5.715   4.892  -2.199
  126   2HD1  ILE  16          2HD1      ILE  16   5.417   4.791  -3.934
  127   3HD1  ILE  16          3HD1      ILE  16   6.760   3.901  -3.218
  128    HA   PRO  17           HA       PRO  17   4.937   1.430   2.301
  129   1HB   PRO  17          2HB       PRO  17   5.121   3.892   3.473
  130   2HB   PRO  17          1HB       PRO  17   6.470   2.739   3.428
  131   1HG   PRO  17          2HG       PRO  17   6.006   5.168   1.800
  132   2HG   PRO  17          1HG       PRO  17   7.523   4.462   2.372
  133   1HD   PRO  17          2HD       PRO  17   6.519   4.234  -0.202
  134   2HD   PRO  17          1HD       PRO  17   7.746   3.171   0.521
  135    H    CYS  18           H        CYS  18   2.760   1.585   2.806
  136    HA   CYS  18           HA       CYS  18   0.995   3.169   1.085
  137   1HB   CYS  18          2HB       CYS  18   0.188   1.028   1.683
  138   2HB   CYS  18          1HB       CYS  18   0.726   1.192   3.353
  139    H    CYS  19           H        CYS  19  -0.258   4.989   1.775
  140    HA   CYS  19           HA       CYS  19   0.834   6.840   3.597
  141   1HB   CYS  19          2HB       CYS  19  -1.389   6.610   1.887
  142   2HB   CYS  19          1HB       CYS  19  -2.070   6.990   3.468
  143    H    GLY  20           H        GLY  20  -1.880   4.564   4.176
  144   1HA   GLY  20          2HA       GLY  20  -1.692   5.075   7.092
  145   2HA   GLY  20          1HA       GLY  20  -2.951   4.132   6.286
  146    H    VAL  21           H        VAL  21  -2.659   1.921   6.058
  147    HA   VAL  21           HA       VAL  21   0.043   0.762   6.554
  148    HB   VAL  21           HB       VAL  21  -2.347  -0.381   7.982
  149   1HG1  VAL  21          1HG1      VAL  21  -0.253  -0.633   9.656
  150   2HG1  VAL  21          2HG1      VAL  21   0.620  -0.517   8.129
  151   3HG1  VAL  21          3HG1      VAL  21  -0.578  -1.788   8.365
  152   1HG2  VAL  21          1HG2      VAL  21  -1.727   1.009   9.983
  153   2HG2  VAL  21          2HG2      VAL  21  -2.422   1.954   8.666
  154   3HG2  VAL  21          3HG2      VAL  21  -0.678   1.968   8.939
  155    H    CYS  22           H        CYS  22  -0.218  -1.766   6.314
  156    HA   CYS  22           HA       CYS  22  -1.674  -2.226   3.761
  157   1HB   CYS  22          2HB       CYS  22   0.833  -2.681   4.269
  158   2HB   CYS  22          1HB       CYS  22   0.250  -4.087   5.162
  159    H    SER  23           H        SER  23  -3.736  -3.008   4.049
  160    HA   SER  23           HA       SER  23  -4.361  -4.769   6.371
  161   1HB   SER  23          2HB       SER  23  -5.683  -2.693   5.553
  162   2HB   SER  23          1HB       SER  23  -6.220  -3.719   4.227
  163    HG   SER  23           HG       SER  23  -7.704  -3.953   5.842
  164    H    HIS  24           H        HIS  24  -6.609  -5.843   4.520
  165    HA   HIS  24           HA       HIS  24  -5.281  -8.296   3.727
  166   1HB   HIS  24          2HB       HIS  24  -7.944  -7.164   3.919
  167   2HB   HIS  24          1HB       HIS  24  -7.766  -7.994   2.376
  168    HD1  HIS  24           1HD      HIS  24  -6.214  -8.958   5.719
  169    HD2  HIS  24           2HD      HIS  24  -8.934 -10.451   2.935
  170    HE1  HIS  24           1HE      HIS  24  -6.813 -11.296   6.486
  171    H    ASN  25           H        ASN  25  -3.549  -7.164   2.407
  172    HA   ASN  25           HA       ASN  25  -2.589  -6.638   0.323
  173   1HB   ASN  25          2HB       ASN  25  -4.537  -8.578  -0.064
  174   2HB   ASN  25          1HB       ASN  25  -4.973  -7.344  -1.246
  175   1HD2  ASN  25          1HD2      ASN  25  -2.448  -9.647  -0.314
  176   2HD2  ASN  25          2HD2      ASN  25  -1.534  -9.491  -1.736
  177    H    LYS  26           H        LYS  26  -4.131  -4.598   1.795
  178    HA   LYS  26           HA       LYS  26  -4.848  -2.811  -0.504
  179   1HB   LYS  26          2HB       LYS  26  -6.366  -3.060   2.114
  180   2HB   LYS  26          1HB       LYS  26  -6.824  -2.085   0.723
  181   1HG   LYS  26          2HG       LYS  26  -6.418  -4.832  -0.085
  182   2HG   LYS  26          1HG       LYS  26  -7.563  -4.755   1.250
  183   1HD   LYS  26          2HD       LYS  26  -9.011  -4.404  -0.520
  184   2HD   LYS  26          1HD       LYS  26  -8.550  -2.736  -0.178
  185   1HE   LYS  26          2HE       LYS  26  -6.817  -2.834  -1.932
  186   2HE   LYS  26          1HE       LYS  26  -7.249  -4.522  -2.269
  187   1HZ   LYS  26          1HZ       LYS  26  -9.508  -3.825  -2.744
  188   2HZ   LYS  26          2HZ       LYS  26  -8.422  -2.993  -3.749
  189   3HZ   LYS  26          3HZ       LYS  26  -9.114  -2.209  -2.410
  190    H    CYS  27           H        CYS  27  -4.826  -0.473   0.178
  191    HA   CYS  27           HA       CYS  27  -2.808   0.009   2.348
  192   1HB   CYS  27          2HB       CYS  27  -1.954   0.652   0.203
  193   2HB   CYS  27          1HB       CYS  27  -3.483   1.397  -0.260
  194    H    THR  28           H        THR  28  -3.958   0.632   4.164
  195    HA   THR  28           HA       THR  28  -6.458   2.198   3.880
  196    HB   THR  28           HB       THR  28  -6.455   1.827   6.405
  197    HG1  THR  28           1HG      THR  28  -4.672   1.144   7.233
  198   1HG2  THR  28          1HG2      THR  28  -6.105  -0.882   5.368
  199   2HG2  THR  28          2HG2      THR  28  -7.080   0.129   4.301
  200   3HG2  THR  28          3HG2      THR  28  -7.556  -0.096   5.985
  Start of MODEL   13
    1   1H    LYS   1          1HT       LYS   1   6.105   9.688  -3.444
    2   2H    LYS   1          2HT       LYS   1   6.756   9.873  -1.885
    3   3H    LYS   1          3HT       LYS   1   6.478  11.237  -2.859
    4    HA   LYS   1           HA       LYS   1   4.743  11.098  -1.199
    5   1HB   LYS   1          2HB       LYS   1   4.525  11.508  -3.868
    6   2HB   LYS   1          1HB       LYS   1   3.399  10.162  -3.687
    7   1HG   LYS   1          2HG       LYS   1   2.042  11.357  -2.152
    8   2HG   LYS   1          1HG       LYS   1   3.294  12.566  -1.861
    9   1HD   LYS   1          2HD       LYS   1   2.966  13.591  -3.960
   10   2HD   LYS   1          1HD       LYS   1   2.118  12.187  -4.612
   11   1HE   LYS   1          2HE       LYS   1   0.160  12.639  -3.302
   12   2HE   LYS   1          1HE       LYS   1   1.019  13.833  -2.311
   13   1HZ   LYS   1          1HZ       LYS   1   0.596  14.034  -5.248
   14   2HZ   LYS   1          2HZ       LYS   1   1.378  15.182  -4.271
   15   3HZ   LYS   1          3HZ       LYS   1  -0.285  14.892  -4.080
   16    H    CYS   2           H        CYS   2   2.900   9.851  -0.354
   17    HA   CYS   2           HA       CYS   2   3.488   6.958  -0.208
   18   1HB   CYS   2          2HB       CYS   2   2.019   7.027   1.676
   19   2HB   CYS   2          1HB       CYS   2   2.920   8.542   1.726
   20    H    LEU   3           H        LEU   3   1.467   5.473  -0.251
   21    HA   LEU   3           HA       LEU   3   0.054   5.931  -2.813
   22   1HB   LEU   3          2HB       LEU   3   0.225   3.609  -0.866
   23   2HB   LEU   3          1HB       LEU   3  -0.637   3.545  -2.402
   24    HG   LEU   3           HG       LEU   3   2.305   4.227  -2.138
   25   1HD1  LEU   3          1HD1      LEU   3   2.335   1.981  -1.579
   26   2HD1  LEU   3          2HD1      LEU   3   2.366   1.857  -3.336
   27   3HD1  LEU   3          3HD1      LEU   3   0.851   1.630  -2.464
   28   1HD2  LEU   3          1HD2      LEU   3   1.794   3.278  -4.687
   29   2HD2  LEU   3          2HD2      LEU   3   1.928   4.981  -4.248
   30   3HD2  LEU   3          3HD2      LEU   3   0.342   4.212  -4.328
   31    HA   PRO   4           HA       PRO   4  -3.693   7.211  -0.877
   32   1HB   PRO   4          2HB       PRO   4  -5.502   6.429  -2.777
   33   2HB   PRO   4          1HB       PRO   4  -4.430   7.830  -2.977
   34   1HG   PRO   4          2HG       PRO   4  -4.180   5.083  -4.089
   35   2HG   PRO   4          1HG       PRO   4  -3.807   6.642  -4.837
   36   1HD   PRO   4          2HD       PRO   4  -1.910   4.971  -3.806
   37   2HD   PRO   4          1HD       PRO   4  -1.719   6.736  -3.909
   38    HA   PRO   5           HA       PRO   5  -5.453   3.689   1.105
   39   1HB   PRO   5          2HB       PRO   5  -7.947   4.612   1.749
   40   2HB   PRO   5          1HB       PRO   5  -6.473   5.159   2.572
   41   1HG   PRO   5          2HG       PRO   5  -8.070   6.508   0.461
   42   2HG   PRO   5          1HG       PRO   5  -7.225   7.197   1.855
   43   1HD   PRO   5          2HD       PRO   5  -6.267   7.259  -0.717
   44   2HD   PRO   5          1HD       PRO   5  -5.245   7.353   0.734
   45    H    GLY   6           H        GLY   6  -5.955   1.915  -0.137
   46   1HA   GLY   6          2HA       GLY   6  -8.145   0.809  -0.992
   47   2HA   GLY   6          1HA       GLY   6  -8.149   2.141  -2.149
   48    H    LYS   7           H        LYS   7  -5.240   2.175  -2.496
   49    HA   LYS   7           HA       LYS   7  -4.940   0.388  -4.687
   50   1HB   LYS   7          2HB       LYS   7  -3.059   1.928  -2.894
   51   2HB   LYS   7          1HB       LYS   7  -2.441   0.948  -4.224
   52   1HG   LYS   7          2HG       LYS   7  -4.696   2.806  -4.832
   53   2HG   LYS   7          1HG       LYS   7  -3.109   3.522  -4.559
   54   1HD   LYS   7          2HD       LYS   7  -2.574   1.334  -6.200
   55   2HD   LYS   7          1HD       LYS   7  -4.077   1.991  -6.849
   56   1HE   LYS   7          2HE       LYS   7  -1.854   3.898  -6.166
   57   2HE   LYS   7          1HE       LYS   7  -1.763   2.973  -7.678
   58   1HZ   LYS   7          1HZ       LYS   7  -4.048   4.650  -6.771
   59   2HZ   LYS   7          2HZ       LYS   7  -4.051   3.681  -8.167
   60   3HZ   LYS   7          3HZ       LYS   7  -2.992   5.005  -8.050
   61    HA   PRO   8           HA       PRO   8  -4.125  -3.429  -2.590
   62   1HB   PRO   8          2HB       PRO   8  -3.003  -4.798  -4.678
   63   2HB   PRO   8          1HB       PRO   8  -4.747  -4.486  -4.550
   64   1HG   PRO   8          2HG       PRO   8  -2.688  -3.094  -6.186
   65   2HG   PRO   8          1HG       PRO   8  -4.364  -3.502  -6.586
   66   1HD   PRO   8          2HD       PRO   8  -3.553  -1.004  -5.841
   67   2HD   PRO   8          1HD       PRO   8  -5.198  -1.625  -5.581
   68    H    CYS   9           H        CYS   9  -2.375  -4.190  -1.396
   69    HA   CYS   9           HA       CYS   9   0.384  -3.446  -2.305
   70   1HB   CYS   9          2HB       CYS   9   0.847  -2.495  -0.204
   71   2HB   CYS   9          1HB       CYS   9  -0.818  -1.991  -0.489
   72    H    TYR  10           H        TYR  10   2.071  -4.793  -1.220
   73    HA   TYR  10           HA       TYR  10   1.119  -7.591  -0.860
   74   1HB   TYR  10          2HB       TYR  10   3.620  -6.168  -1.661
   75   2HB   TYR  10          1HB       TYR  10   3.806  -7.747  -0.896
   76    HD1  TYR  10           1HD      TYR  10   1.570  -6.130  -3.452
   77    HD2  TYR  10           2HD      TYR  10   3.865  -9.581  -2.321
   78    HE1  TYR  10           1HE      TYR  10   0.947  -7.241  -5.580
   79    HE2  TYR  10           2HE      TYR  10   3.243 -10.691  -4.448
   80    HH   TYR  10           HH       TYR  10   0.919 -10.179  -6.176
   81    H    GLY  11           H        GLY  11   2.256  -8.878   0.898
   82   1HA   GLY  11          2HA       GLY  11   1.918  -7.631   3.462
   83   2HA   GLY  11          1HA       GLY  11   2.662  -9.207   3.188
   84    H    ALA  12           H        ALA  12   4.931  -8.922   2.001
   85    HA   ALA  12           HA       ALA  12   6.413  -6.621   3.212
   86   1HB   ALA  12          1HB       ALA  12   8.160  -8.385   3.836
   87   2HB   ALA  12          2HB       ALA  12   6.933  -9.595   3.456
   88   3HB   ALA  12          3HB       ALA  12   6.657  -8.439   4.759
   89    H    THR  13           H        THR  13   5.604  -7.068   0.428
   90    HA   THR  13           HA       THR  13   8.322  -7.251  -0.814
   91    HB   THR  13           HB       THR  13   5.773  -8.464  -1.931
   92    HG1  THR  13           1HG      THR  13   7.881  -9.553  -0.399
   93   1HG2  THR  13          1HG2      THR  13   8.650  -8.970  -2.708
   94   2HG2  THR  13          2HG2      THR  13   7.646  -7.759  -3.502
   95   3HG2  THR  13          3HG2      THR  13   7.195  -9.462  -3.574
   96    H    GLN  14           H        GLN  14   7.897  -4.810  -0.573
   97    HA   GLN  14           HA       GLN  14   6.965  -3.768  -3.137
   98   1HB   GLN  14          2HB       GLN  14   5.240  -2.272  -1.967
   99   2HB   GLN  14          1HB       GLN  14   4.811  -3.973  -2.109
  100   1HG   GLN  14          2HG       GLN  14   5.352  -4.403   0.176
  101   2HG   GLN  14          1HG       GLN  14   6.172  -2.852   0.347
  102   1HE2  GLN  14          1HE2      GLN  14   4.862  -0.953   0.707
  103   2HE2  GLN  14          2HE2      GLN  14   3.188  -1.043   0.971
  104    H    LYS  15           H        LYS  15   8.281  -2.042  -3.588
  105    HA   LYS  15           HA       LYS  15   9.919  -0.878  -1.414
  106   1HB   LYS  15          2HB       LYS  15  10.025  -1.234  -4.341
  107   2HB   LYS  15          1HB       LYS  15  10.682   0.305  -3.783
  108   1HG   LYS  15          2HG       LYS  15  12.396  -0.689  -2.603
  109   2HG   LYS  15          1HG       LYS  15  11.467  -2.153  -2.280
  110   1HD   LYS  15          2HD       LYS  15  12.151  -1.575  -5.126
  111   2HD   LYS  15          1HD       LYS  15  13.462  -2.109  -4.072
  112   1HE   LYS  15          2HE       LYS  15  12.487  -4.199  -3.690
  113   2HE   LYS  15          1HE       LYS  15  10.850  -3.613  -4.040
  114   1HZ   LYS  15          1HZ       LYS  15  11.605  -3.205  -6.354
  115   2HZ   LYS  15          2HZ       LYS  15  11.615  -4.848  -5.926
  116   3HZ   LYS  15          3HZ       LYS  15  13.071  -3.975  -5.985
  117    H    ILE  16           H        ILE  16   6.956  -0.206  -1.846
  118    HA   ILE  16           HA       ILE  16   7.295   2.763  -2.075
  119    HB   ILE  16           HB       ILE  16   6.151   1.764  -4.017
  120   1HG1  ILE  16          2HG1      ILE  16   3.976   3.031  -3.827
  121   2HG1  ILE  16          1HG1      ILE  16   4.352   3.314  -2.128
  122   1HG2  ILE  16          1HG2      ILE  16   4.087   0.780  -2.025
  123   2HG2  ILE  16          2HG2      ILE  16   5.280  -0.248  -2.820
  124   3HG2  ILE  16          3HG2      ILE  16   4.044   0.570  -3.775
  125   1HD1  ILE  16          1HD1      ILE  16   5.275   4.772  -4.416
  126   2HD1  ILE  16          2HD1      ILE  16   6.667   4.014  -3.642
  127   3HD1  ILE  16          3HD1      ILE  16   5.615   5.080  -2.713
  128    HA   PRO  17           HA       PRO  17   5.694   2.515   2.075
  129   1HB   PRO  17          2HB       PRO  17   5.734   5.198   2.580
  130   2HB   PRO  17          1HB       PRO  17   7.198   4.196   2.586
  131   1HG   PRO  17          2HG       PRO  17   6.182   6.051   0.499
  132   2HG   PRO  17          1HG       PRO  17   7.846   5.711   0.996
  133   1HD   PRO  17          2HD       PRO  17   6.653   4.682  -1.254
  134   2HD   PRO  17          1HD       PRO  17   8.037   3.944  -0.424
  135    H    CYS  18           H        CYS  18   3.538   2.282   2.540
  136    HA   CYS  18           HA       CYS  18   1.503   3.768   0.978
  137   1HB   CYS  18          2HB       CYS  18   1.718   1.309   2.608
  138   2HB   CYS  18          1HB       CYS  18   0.184   2.161   2.776
  139    H    CYS  19           H        CYS  19   0.210   5.387   1.876
  140    HA   CYS  19           HA       CYS  19   1.040   6.832   4.183
  141   1HB   CYS  19          2HB       CYS  19  -1.082   6.849   2.198
  142   2HB   CYS  19          1HB       CYS  19  -1.707   7.311   3.781
  143    H    GLY  20           H        GLY  20  -1.488   4.334   3.805
  144   1HA   GLY  20          2HA       GLY  20  -2.014   4.411   6.729
  145   2HA   GLY  20          1HA       GLY  20  -2.970   3.527   5.536
  146    H    VAL  21           H        VAL  21  -2.766   1.369   6.025
  147    HA   VAL  21           HA       VAL  21   0.016   0.294   6.345
  148    HB   VAL  21           HB       VAL  21  -2.283  -0.952   7.814
  149   1HG1  VAL  21          1HG1      VAL  21   0.693  -0.742   8.057
  150   2HG1  VAL  21          2HG1      VAL  21  -0.343  -2.166   8.157
  151   3HG1  VAL  21          3HG1      VAL  21  -0.251  -1.044   9.516
  152   1HG2  VAL  21          1HG2      VAL  21  -2.613   1.348   8.458
  153   2HG2  VAL  21          2HG2      VAL  21  -0.877   1.611   8.628
  154   3HG2  VAL  21          3HG2      VAL  21  -1.730   0.577   9.776
  155    H    CYS  22           H        CYS  22  -0.089  -2.210   6.055
  156    HA   CYS  22           HA       CYS  22  -1.631  -2.744   3.574
  157   1HB   CYS  22          2HB       CYS  22   0.845  -3.685   4.896
  158   2HB   CYS  22          1HB       CYS  22  -0.052  -4.929   4.026
  159    H    SER  23           H        SER  23  -3.706  -3.369   4.122
  160    HA   SER  23           HA       SER  23  -3.974  -5.769   5.899
  161   1HB   SER  23          2HB       SER  23  -6.047  -4.673   6.778
  162   2HB   SER  23          1HB       SER  23  -4.597  -3.737   7.124
  163    HG   SER  23           HG       SER  23  -6.756  -3.145   5.540
  164    H    HIS  24           H        HIS  24  -5.345  -7.336   5.047
  165    HA   HIS  24           HA       HIS  24  -6.700  -8.440   3.462
  166   1HB   HIS  24          2HB       HIS  24  -7.799  -5.636   3.063
  167   2HB   HIS  24          1HB       HIS  24  -8.644  -7.152   2.766
  168    HD1  HIS  24           1HD      HIS  24  -8.139  -8.734   5.274
  169    HD2  HIS  24           2HD      HIS  24  -8.936  -4.643   5.374
  170    HE1  HIS  24           1HE      HIS  24  -8.980  -8.223   7.607
  171    H    ASN  25           H        ASN  25  -4.108  -7.416   2.564
  172    HA   ASN  25           HA       ASN  25  -2.902  -7.224   0.552
  173   1HB   ASN  25          2HB       ASN  25  -5.129  -8.851   0.129
  174   2HB   ASN  25          1HB       ASN  25  -5.186  -7.708  -1.214
  175   1HD2  ASN  25          1HD2      ASN  25  -2.761  -7.313  -2.144
  176   2HD2  ASN  25          2HD2      ASN  25  -1.891  -8.742  -2.425
  177    H    LYS  26           H        LYS  26  -4.389  -4.844   1.664
  178    HA   LYS  26           HA       LYS  26  -4.110  -3.123  -0.716
  179   1HB   LYS  26          2HB       LYS  26  -6.437  -2.205  -0.362
  180   2HB   LYS  26          1HB       LYS  26  -6.409  -3.876  -0.927
  181   1HG   LYS  26          2HG       LYS  26  -6.940  -4.730   1.219
  182   2HG   LYS  26          1HG       LYS  26  -6.534  -3.210   2.015
  183   1HD   LYS  26          2HD       LYS  26  -8.680  -3.119  -0.048
  184   2HD   LYS  26          1HD       LYS  26  -9.073  -3.903   1.484
  185   1HE   LYS  26          2HE       LYS  26  -8.455  -1.913   2.735
  186   2HE   LYS  26          1HE       LYS  26  -7.867  -1.121   1.259
  187   1HZ   LYS  26          1HZ       LYS  26 -10.138  -0.445   1.737
  188   2HZ   LYS  26          2HZ       LYS  26 -10.647  -2.066   1.736
  189   3HZ   LYS  26          3HZ       LYS  26 -10.085  -1.347   0.302
  190    H    CYS  27           H        CYS  27  -3.778  -0.915  -0.124
  191    HA   CYS  27           HA       CYS  27  -2.979  -0.503   2.684
  192   1HB   CYS  27          2HB       CYS  27  -2.767   1.026   0.090
  193   2HB   CYS  27          1HB       CYS  27  -2.283   1.751   1.623
  194    H    THR  28           H        THR  28  -4.262   0.510   4.176
  195    HA   THR  28           HA       THR  28  -6.862   1.640   3.314
  196    HB   THR  28           HB       THR  28  -7.142   1.736   5.856
  197    HG1  THR  28           1HG      THR  28  -5.527   1.122   7.078
  198   1HG2  THR  28          1HG2      THR  28  -8.011  -0.140   4.591
  199   2HG2  THR  28          2HG2      THR  28  -7.255  -0.756   6.061
  200   3HG2  THR  28          3HG2      THR  28  -6.412  -0.879   4.517
  Start of MODEL   14
    1   1H    LYS   1          1HT       LYS   1   2.648  10.227  -2.633
    2   2H    LYS   1          2HT       LYS   1   3.862  11.307  -3.123
    3   3H    LYS   1          3HT       LYS   1   3.719  10.873  -1.487
    4    HA   LYS   1           HA       LYS   1   4.718   9.241  -3.750
    5   1HB   LYS   1          2HB       LYS   1   6.082  10.838  -2.246
    6   2HB   LYS   1          1HB       LYS   1   5.794   9.667  -0.958
    7   1HG   LYS   1          2HG       LYS   1   7.889   9.058  -1.932
    8   2HG   LYS   1          1HG       LYS   1   6.718   7.893  -2.545
    9   1HD   LYS   1          2HD       LYS   1   7.069   8.546  -4.672
   10   2HD   LYS   1          1HD       LYS   1   6.818  10.240  -4.251
   11   1HE   LYS   1          2HE       LYS   1   9.043  10.622  -4.416
   12   2HE   LYS   1          1HE       LYS   1   9.359   9.386  -3.184
   13   1HZ   LYS   1          1HZ       LYS   1  10.360   8.782  -5.315
   14   2HZ   LYS   1          2HZ       LYS   1   8.838   8.853  -6.064
   15   3HZ   LYS   1          3HZ       LYS   1   9.148   7.678  -4.877
   16    H    CYS   2           H        CYS   2   3.194   9.093  -0.532
   17    HA   CYS   2           HA       CYS   2   3.561   6.269  -0.099
   18   1HB   CYS   2          2HB       CYS   2   2.048   6.627   1.718
   19   2HB   CYS   2          1HB       CYS   2   2.926   8.145   1.537
   20    H    LEU   3           H        LEU   3   1.623   4.726  -0.011
   21    HA   LEU   3           HA       LEU   3   0.320   4.658  -2.633
   22   1HB   LEU   3          2HB       LEU   3   0.075   2.915  -0.156
   23   2HB   LEU   3          1HB       LEU   3  -0.537   2.495  -1.754
   24    HG   LEU   3           HG       LEU   3   2.353   3.241  -1.441
   25   1HD1  LEU   3          1HD1      LEU   3   1.068   1.002  -0.138
   26   2HD1  LEU   3          2HD1      LEU   3   2.760   1.493  -0.087
   27   3HD1  LEU   3          3HD1      LEU   3   2.191   0.427  -1.370
   28   1HD2  LEU   3          1HD2      LEU   3   0.580   1.993  -3.427
   29   2HD2  LEU   3          2HD2      LEU   3   2.095   1.118  -3.189
   30   3HD2  LEU   3          3HD2      LEU   3   2.121   2.818  -3.659
   31    HA   PRO   4           HA       PRO   4  -3.365   6.731  -1.313
   32   1HB   PRO   4          2HB       PRO   4  -5.059   5.871  -3.285
   33   2HB   PRO   4          1HB       PRO   4  -3.816   7.107  -3.552
   34   1HG   PRO   4          2HG       PRO   4  -3.783   4.214  -4.235
   35   2HG   PRO   4          1HG       PRO   4  -3.163   5.597  -5.149
   36   1HD   PRO   4          2HD       PRO   4  -1.575   3.925  -3.696
   37   2HD   PRO   4          1HD       PRO   4  -1.178   5.629  -4.007
   38    HA   PRO   5           HA       PRO   5  -5.637   3.732   0.946
   39   1HB   PRO   5          2HB       PRO   5  -8.103   4.910   1.150
   40   2HB   PRO   5          1HB       PRO   5  -6.685   5.466   2.060
   41   1HG   PRO   5          2HG       PRO   5  -7.911   6.587  -0.404
   42   2HG   PRO   5          1HG       PRO   5  -7.175   7.421   0.972
   43   1HD   PRO   5          2HD       PRO   5  -5.919   7.043  -1.430
   44   2HD   PRO   5          1HD       PRO   5  -5.064   7.246   0.115
   45    H    GLY   6           H        GLY   6  -6.053   1.841  -0.145
   46   1HA   GLY   6          2HA       GLY   6  -8.123   0.613  -1.023
   47   2HA   GLY   6          1HA       GLY   6  -8.166   1.869  -2.261
   48    H    LYS   7           H        LYS   7  -5.297   2.028  -2.662
   49    HA   LYS   7           HA       LYS   7  -4.879   0.090  -4.688
   50   1HB   LYS   7          2HB       LYS   7  -3.436   2.203  -3.300
   51   2HB   LYS   7          1HB       LYS   7  -2.360   0.862  -3.693
   52   1HG   LYS   7          2HG       LYS   7  -3.675   1.018  -6.027
   53   2HG   LYS   7          1HG       LYS   7  -3.846   2.697  -5.514
   54   1HD   LYS   7          2HD       LYS   7  -1.571   3.105  -5.605
   55   2HD   LYS   7          1HD       LYS   7  -1.150   1.424  -5.273
   56   1HE   LYS   7          2HE       LYS   7  -2.324   1.020  -7.633
   57   2HE   LYS   7          1HE       LYS   7  -1.859   2.715  -7.880
   58   1HZ   LYS   7          1HZ       LYS   7  -0.050   1.241  -8.510
   59   2HZ   LYS   7          2HZ       LYS   7  -0.059   0.529  -6.968
   60   3HZ   LYS   7          3HZ       LYS   7   0.389   2.156  -7.152
   61    HA   PRO   8           HA       PRO   8  -3.961  -3.517  -2.298
   62   1HB   PRO   8          2HB       PRO   8  -2.693  -4.983  -4.234
   63   2HB   PRO   8          1HB       PRO   8  -4.452  -4.756  -4.181
   64   1HG   PRO   8          2HG       PRO   8  -2.414  -3.354  -5.842
   65   2HG   PRO   8          1HG       PRO   8  -4.034  -3.915  -6.283
   66   1HD   PRO   8          2HD       PRO   8  -3.477  -1.321  -5.719
   67   2HD   PRO   8          1HD       PRO   8  -5.063  -2.061  -5.405
   68    H    CYS   9           H        CYS   9  -2.311  -3.804  -0.861
   69    HA   CYS   9           HA       CYS   9   0.406  -2.774  -1.557
   70   1HB   CYS   9          2HB       CYS   9   0.684  -2.863   0.949
   71   2HB   CYS   9          1HB       CYS   9  -0.634  -1.819   0.419
   72    H    TYR  10           H        TYR  10   2.153  -4.162  -1.650
   73    HA   TYR  10           HA       TYR  10   1.677  -7.039  -1.732
   74   1HB   TYR  10          2HB       TYR  10   3.748  -5.081  -2.417
   75   2HB   TYR  10          1HB       TYR  10   4.426  -6.574  -1.773
   76    HD1  TYR  10           1HD      TYR  10   2.793  -8.712  -2.671
   77    HD2  TYR  10           2HD      TYR  10   3.761  -5.075  -4.748
   78    HE1  TYR  10           1HE      TYR  10   2.373  -9.836  -4.840
   79    HE2  TYR  10           2HE      TYR  10   3.339  -6.201  -6.916
   80    HH   TYR  10           HH       TYR  10   3.384  -9.215  -7.461
   81    H    GLY  11           H        GLY  11   2.717  -8.613  -0.346
   82   1HA   GLY  11          2HA       GLY  11   2.953  -7.721   2.453
   83   2HA   GLY  11          1HA       GLY  11   2.941  -9.394   1.894
   84    H    ALA  12           H        ALA  12   4.928  -6.725   2.770
   85    HA   ALA  12           HA       ALA  12   7.264  -6.485   2.971
   86   1HB   ALA  12          1HB       ALA  12   8.415  -8.675   3.429
   87   2HB   ALA  12          2HB       ALA  12   6.933  -9.503   2.951
   88   3HB   ALA  12          3HB       ALA  12   6.938  -8.451   4.367
   89    H    THR  13           H        THR  13   6.094  -6.589   0.211
   90    HA   THR  13           HA       THR  13   8.626  -7.214  -1.238
   91    HB   THR  13           HB       THR  13   5.854  -8.153  -2.067
   92    HG1  THR  13           1HG      THR  13   6.337  -9.648  -0.668
   93   1HG2  THR  13          1HG2      THR  13   8.138  -7.667  -3.604
   94   2HG2  THR  13          2HG2      THR  13   6.748  -8.642  -4.074
   95   3HG2  THR  13          3HG2      THR  13   8.151  -9.410  -3.331
   96    H    GLN  14           H        GLN  14   8.349  -4.710  -0.869
   97    HA   GLN  14           HA       GLN  14   7.637  -3.523  -3.414
   98   1HB   GLN  14          2HB       GLN  14   5.818  -2.041  -2.264
   99   2HB   GLN  14          1HB       GLN  14   5.381  -3.679  -2.741
  100   1HG   GLN  14          2HG       GLN  14   5.012  -4.298  -0.598
  101   2HG   GLN  14          1HG       GLN  14   6.543  -3.606  -0.062
  102   1HE2  GLN  14          1HE2      GLN  14   3.341  -2.377  -1.233
  103   2HE2  GLN  14          2HE2      GLN  14   3.243  -1.134  -0.080
  104    H    LYS  15           H        LYS  15   8.752  -1.582  -3.621
  105    HA   LYS  15           HA       LYS  15  10.308  -0.644  -1.287
  106   1HB   LYS  15          2HB       LYS  15  10.827  -0.998  -3.964
  107   2HB   LYS  15          1HB       LYS  15  10.540   0.739  -3.885
  108   1HG   LYS  15          2HG       LYS  15  12.842   0.565  -3.439
  109   2HG   LYS  15          1HG       LYS  15  12.134   0.682  -1.830
  110   1HD   LYS  15          2HD       LYS  15  12.047  -1.923  -1.939
  111   2HD   LYS  15          1HD       LYS  15  13.235  -1.744  -3.229
  112   1HE   LYS  15          2HE       LYS  15  13.772  -0.156  -0.773
  113   2HE   LYS  15          1HE       LYS  15  13.940  -1.915  -0.613
  114   1HZ   LYS  15          1HZ       LYS  15  15.176  -0.227  -2.728
  115   2HZ   LYS  15          2HZ       LYS  15  15.290  -1.921  -2.636
  116   3HZ   LYS  15          3HZ       LYS  15  15.996  -0.953  -1.433
  117    H    ILE  16           H        ILE  16   7.308  -0.128  -1.641
  118    HA   ILE  16           HA       ILE  16   7.449   2.799  -1.125
  119    HB   ILE  16           HB       ILE  16   6.853   2.115  -3.552
  120   1HG1  ILE  16          2HG1      ILE  16   6.512   4.380  -2.654
  121   2HG1  ILE  16          1HG1      ILE  16   5.198   3.931  -3.738
  122   1HG2  ILE  16          1HG2      ILE  16   5.234   0.310  -2.743
  123   2HG2  ILE  16          2HG2      ILE  16   4.651   1.369  -4.026
  124   3HG2  ILE  16          3HG2      ILE  16   4.121   1.625  -2.364
  125   1HD1  ILE  16          1HD1      ILE  16   5.156   4.409  -0.811
  126   2HD1  ILE  16          2HD1      ILE  16   4.178   3.058  -1.383
  127   3HD1  ILE  16          3HD1      ILE  16   3.896   4.679  -2.017
  128    HA   PRO  17           HA       PRO  17   5.056   1.040   2.249
  129   1HB   PRO  17          2HB       PRO  17   5.124   3.280   3.814
  130   2HB   PRO  17          1HB       PRO  17   6.489   2.153   3.681
  131   1HG   PRO  17          2HG       PRO  17   6.067   4.783   2.353
  132   2HG   PRO  17          1HG       PRO  17   7.548   4.081   3.019
  133   1HD   PRO  17          2HD       PRO  17   6.963   4.130   0.357
  134   2HD   PRO  17          1HD       PRO  17   7.997   2.899   1.115
  135    H    CYS  18           H        CYS  18   2.908   1.355   3.034
  136    HA   CYS  18           HA       CYS  18   1.136   2.934   1.296
  137   1HB   CYS  18          2HB       CYS  18   0.265   0.834   1.878
  138   2HB   CYS  18          1HB       CYS  18   0.907   0.914   3.517
  139    H    CYS  19           H        CYS  19  -0.005   4.800   1.951
  140    HA   CYS  19           HA       CYS  19   1.096   6.581   3.849
  141   1HB   CYS  19          2HB       CYS  19  -1.141   6.418   2.069
  142   2HB   CYS  19          1HB       CYS  19  -1.736   7.005   3.621
  143    H    GLY  20           H        GLY  20  -1.816   4.513   4.239
  144   1HA   GLY  20          2HA       GLY  20  -1.747   4.955   7.168
  145   2HA   GLY  20          1HA       GLY  20  -3.009   4.093   6.282
  146    H    VAL  21           H        VAL  21  -2.793   1.860   5.967
  147    HA   VAL  21           HA       VAL  21  -0.198   0.570   6.682
  148    HB   VAL  21           HB       VAL  21  -2.739  -0.548   7.818
  149   1HG1  VAL  21          1HG1      VAL  21   0.193  -0.675   8.325
  150   2HG1  VAL  21          2HG1      VAL  21  -1.013  -1.962   8.352
  151   3HG1  VAL  21          3HG1      VAL  21  -0.874  -0.856   9.717
  152   1HG2  VAL  21          1HG2      VAL  21  -2.912   1.760   8.546
  153   2HG2  VAL  21          2HG2      VAL  21  -1.203   1.798   8.982
  154   3HG2  VAL  21          3HG2      VAL  21  -2.329   0.809   9.912
  155    H    CYS  22           H        CYS  22  -0.446  -1.903   6.271
  156    HA   CYS  22           HA       CYS  22  -1.870  -2.266   3.668
  157   1HB   CYS  22          2HB       CYS  22   0.570  -2.588   3.730
  158   2HB   CYS  22          1HB       CYS  22   0.397  -3.770   5.026
  159    H    SER  23           H        SER  23  -3.955  -2.877   4.349
  160    HA   SER  23           HA       SER  23  -4.138  -5.492   5.800
  161   1HB   SER  23          2HB       SER  23  -6.045  -4.524   7.066
  162   2HB   SER  23          1HB       SER  23  -4.563  -3.621   7.354
  163    HG   SER  23           HG       SER  23  -6.893  -2.881   6.078
  164    H    HIS  24           H        HIS  24  -6.110  -6.691   5.242
  165    HA   HIS  24           HA       HIS  24  -7.653  -7.519   3.653
  166   1HB   HIS  24          2HB       HIS  24  -8.073  -4.531   3.759
  167   2HB   HIS  24          1HB       HIS  24  -9.060  -5.529   2.693
  168    HD1  HIS  24           1HD      HIS  24 -11.199  -6.144   3.793
  169    HD2  HIS  24           2HD      HIS  24  -8.076  -5.972   6.549
  170    HE1  HIS  24           1HE      HIS  24 -12.193  -6.754   6.040
  171    H    ASN  25           H        ASN  25  -4.894  -6.966   2.734
  172    HA   ASN  25           HA       ASN  25  -3.673  -6.926   0.727
  173   1HB   ASN  25          2HB       ASN  25  -5.560  -8.624   0.322
  174   2HB   ASN  25          1HB       ASN  25  -6.368  -7.345  -0.586
  175   1HD2  ASN  25          1HD2      ASN  25  -2.989  -8.656  -0.410
  176   2HD2  ASN  25          2HD2      ASN  25  -2.780  -8.716  -2.093
  177    H    LYS  26           H        LYS  26  -4.461  -4.368   1.732
  178    HA   LYS  26           HA       LYS  26  -4.217  -2.770  -0.694
  179   1HB   LYS  26          2HB       LYS  26  -6.398  -1.637  -0.481
  180   2HB   LYS  26          1HB       LYS  26  -6.620  -3.369  -0.721
  181   1HG   LYS  26          2HG       LYS  26  -7.489  -3.679   1.364
  182   2HG   LYS  26          1HG       LYS  26  -6.385  -2.522   2.105
  183   1HD   LYS  26          2HD       LYS  26  -8.618  -1.597   0.301
  184   2HD   LYS  26          1HD       LYS  26  -8.898  -1.896   2.017
  185   1HE   LYS  26          2HE       LYS  26  -6.895  -0.357   2.469
  186   2HE   LYS  26          1HE       LYS  26  -7.018   0.122   0.767
  187   1HZ   LYS  26          1HZ       LYS  26  -8.375   1.537   2.234
  188   2HZ   LYS  26          2HZ       LYS  26  -9.269   0.174   2.710
  189   3HZ   LYS  26          3HZ       LYS  26  -9.318   0.704   1.097
  190    H    CYS  27           H        CYS  27  -4.099  -0.425  -0.177
  191    HA   CYS  27           HA       CYS  27  -2.815   0.039   2.443
  192   1HB   CYS  27          2HB       CYS  27  -1.767   0.837   0.391
  193   2HB   CYS  27          1HB       CYS  27  -3.240   1.683  -0.074
  194    H    THR  28           H        THR  28  -4.055   0.781   4.145
  195    HA   THR  28           HA       THR  28  -6.725   1.945   3.601
  196    HB   THR  28           HB       THR  28  -6.684   1.881   6.215
  197    HG1  THR  28           1HG      THR  28  -4.739  -0.080   5.918
  198   1HG2  THR  28          1HG2      THR  28  -7.118  -0.592   6.137
  199   2HG2  THR  28          2HG2      THR  28  -6.531  -0.592   4.474
  200   3HG2  THR  28          3HG2      THR  28  -7.980   0.319   4.899
  Start of MODEL   15
    1   1H    LYS   1          1HT       LYS   1   3.296  12.329  -2.225
    2   2H    LYS   1          2HT       LYS   1   2.844  11.505  -0.808
    3   3H    LYS   1          3HT       LYS   1   2.325  10.942  -2.327
    4    HA   LYS   1           HA       LYS   1   4.790  10.672  -2.888
    5   1HB   LYS   1          2HB       LYS   1   4.708  11.549  -0.055
    6   2HB   LYS   1          1HB       LYS   1   5.823  10.227  -0.401
    7   1HG   LYS   1          2HG       LYS   1   5.746  12.777  -2.033
    8   2HG   LYS   1          1HG       LYS   1   6.806  12.561  -0.639
    9   1HD   LYS   1          2HD       LYS   1   6.986  10.271  -2.408
   10   2HD   LYS   1          1HD       LYS   1   7.319  11.762  -3.291
   11   1HE   LYS   1          2HE       LYS   1   9.252  12.184  -2.114
   12   2HE   LYS   1          1HE       LYS   1   8.600  11.509  -0.608
   13   1HZ   LYS   1          1HZ       LYS   1   8.679   9.291  -1.693
   14   2HZ   LYS   1          2HZ       LYS   1  10.214   9.984  -1.461
   15   3HZ   LYS   1          3HZ       LYS   1   9.499   9.993  -3.002
   16    H    CYS   2           H        CYS   2   2.671   9.501  -0.257
   17    HA   CYS   2           HA       CYS   2   3.530   6.702  -0.802
   18   1HB   CYS   2          2HB       CYS   2   2.126   6.278   1.262
   19   2HB   CYS   2          1HB       CYS   2   3.489   7.359   1.514
   20    H    LEU   3           H        LEU   3   1.685   5.046  -0.805
   21    HA   LEU   3           HA       LEU   3  -0.176   5.667  -2.949
   22   1HB   LEU   3          2HB       LEU   3   0.164   3.312  -1.068
   23   2HB   LEU   3          1HB       LEU   3  -0.890   3.302  -2.481
   24    HG   LEU   3           HG       LEU   3   1.850   4.220  -3.046
   25   1HD1  LEU   3          1HD1      LEU   3   2.687   1.811  -3.030
   26   2HD1  LEU   3          2HD1      LEU   3   1.300   1.430  -2.015
   27   3HD1  LEU   3          3HD1      LEU   3   2.519   2.569  -1.448
   28   1HD2  LEU   3          1HD2      LEU   3  -0.325   3.253  -4.451
   29   2HD2  LEU   3          2HD2      LEU   3   0.758   1.861  -4.419
   30   3HD2  LEU   3          3HD2      LEU   3   1.312   3.394  -5.091
   31    HA   PRO   4           HA       PRO   4  -3.443   7.198  -0.369
   32   1HB   PRO   4          2HB       PRO   4  -5.497   6.930  -2.170
   33   2HB   PRO   4          1HB       PRO   4  -4.298   8.238  -2.247
   34   1HG   PRO   4          2HG       PRO   4  -4.415   5.688  -3.790
   35   2HG   PRO   4          1HG       PRO   4  -3.998   7.320  -4.339
   36   1HD   PRO   4          2HD       PRO   4  -2.124   5.442  -3.826
   37   2HD   PRO   4          1HD       PRO   4  -1.836   7.176  -3.558
   38    HA   PRO   5           HA       PRO   5  -5.405   3.649   1.309
   39   1HB   PRO   5          2HB       PRO   5  -7.852   4.622   2.088
   40   2HB   PRO   5          1HB       PRO   5  -6.340   5.002   2.938
   41   1HG   PRO   5          2HG       PRO   5  -7.854   6.630   0.956
   42   2HG   PRO   5          1HG       PRO   5  -7.030   7.138   2.440
   43   1HD   PRO   5          2HD       PRO   5  -5.962   7.480  -0.030
   44   2HD   PRO   5          1HD       PRO   5  -4.972   7.226   1.425
   45    H    GLY   6           H        GLY   6  -6.403   1.919   0.357
   46   1HA   GLY   6          2HA       GLY   6  -8.493   1.032  -0.704
   47   2HA   GLY   6          1HA       GLY   6  -8.463   2.453  -1.749
   48    H    LYS   7           H        LYS   7  -5.560   2.395  -2.139
   49    HA   LYS   7           HA       LYS   7  -5.360   0.771  -4.471
   50   1HB   LYS   7          2HB       LYS   7  -3.418   2.140  -2.607
   51   2HB   LYS   7          1HB       LYS   7  -2.830   1.214  -3.990
   52   1HG   LYS   7          2HG       LYS   7  -4.939   2.813  -4.976
   53   2HG   LYS   7          1HG       LYS   7  -3.979   3.868  -3.940
   54   1HD   LYS   7          2HD       LYS   7  -2.357   3.980  -5.494
   55   2HD   LYS   7          1HD       LYS   7  -2.214   2.222  -5.512
   56   1HE   LYS   7          2HE       LYS   7  -4.086   2.072  -7.116
   57   2HE   LYS   7          1HE       LYS   7  -4.247   3.838  -7.095
   58   1HZ   LYS   7          1HZ       LYS   7  -2.829   3.100  -8.927
   59   2HZ   LYS   7          2HZ       LYS   7  -1.781   2.342  -7.826
   60   3HZ   LYS   7          3HZ       LYS   7  -1.952   4.032  -7.816
   61    HA   PRO   8           HA       PRO   8  -4.429  -3.211  -2.832
   62   1HB   PRO   8          2HB       PRO   8  -2.837  -4.231  -4.811
   63   2HB   PRO   8          1HB       PRO   8  -4.587  -4.007  -4.998
   64   1HG   PRO   8          2HG       PRO   8  -2.348  -2.339  -6.012
   65   2HG   PRO   8          1HG       PRO   8  -3.900  -2.732  -6.769
   66   1HD   PRO   8          2HD       PRO   8  -3.346  -0.343  -5.541
   67   2HD   PRO   8          1HD       PRO   8  -4.981  -1.009  -5.741
   68    H    CYS   9           H        CYS   9  -2.525  -4.651  -2.242
   69    HA   CYS   9           HA       CYS   9   0.079  -3.223  -1.949
   70   1HB   CYS   9          2HB       CYS   9  -1.145  -2.673   0.055
   71   2HB   CYS   9          1HB       CYS   9  -1.694  -4.336   0.245
   72    H    TYR  10           H        TYR  10   1.840  -4.683  -1.890
   73    HA   TYR  10           HA       TYR  10   1.168  -7.501  -2.581
   74   1HB   TYR  10          2HB       TYR  10   3.688  -5.817  -2.777
   75   2HB   TYR  10          1HB       TYR  10   3.575  -7.494  -3.316
   76    HD1  TYR  10           1HD      TYR  10   3.370  -4.177  -4.398
   77    HD2  TYR  10           2HD      TYR  10   1.374  -7.958  -4.839
   78    HE1  TYR  10           1HE      TYR  10   2.401  -3.418  -6.550
   79    HE2  TYR  10           2HE      TYR  10   0.408  -7.196  -6.991
   80    HH   TYR  10           HH       TYR  10   0.033  -4.295  -7.912
   81    H    GLY  11           H        GLY  11   0.607  -7.784  -0.166
   82   1HA   GLY  11          2HA       GLY  11   1.146  -8.672   1.937
   83   2HA   GLY  11          1HA       GLY  11   2.570  -9.338   1.144
   84    H    ALA  12           H        ALA  12   4.062  -8.910   2.784
   85    HA   ALA  12           HA       ALA  12   4.398  -6.050   3.616
   86   1HB   ALA  12          1HB       ALA  12   4.228  -8.492   5.012
   87   2HB   ALA  12          2HB       ALA  12   4.672  -6.923   5.684
   88   3HB   ALA  12          3HB       ALA  12   5.926  -8.021   5.107
   89    H    THR  13           H        THR  13   5.432  -7.206   1.051
   90    HA   THR  13           HA       THR  13   8.337  -6.664   1.527
   91    HB   THR  13           HB       THR  13   7.136  -8.842  -0.222
   92    HG1  THR  13           1HG      THR  13   7.063  -9.822   1.630
   93   1HG2  THR  13          1HG2      THR  13   9.204  -8.162  -1.184
   94   2HG2  THR  13          2HG2      THR  13   9.583  -9.592  -0.226
   95   3HG2  THR  13          3HG2      THR  13   9.967  -7.988   0.397
   96    H    GLN  14           H        GLN  14   7.959  -4.524   0.659
   97    HA   GLN  14           HA       GLN  14   8.026  -4.415  -2.280
   98   1HB   GLN  14          2HB       GLN  14   6.040  -2.909  -2.389
   99   2HB   GLN  14          1HB       GLN  14   5.617  -4.518  -1.806
  100   1HG   GLN  14          2HG       GLN  14   5.734  -3.670   0.532
  101   2HG   GLN  14          1HG       GLN  14   6.081  -2.057  -0.090
  102   1HE2  GLN  14          1HE2      GLN  14   3.943  -1.573   1.139
  103   2HE2  GLN  14          2HE2      GLN  14   2.492  -1.803   0.286
  104    H    LYS  15           H        LYS  15   8.950  -2.442  -3.011
  105    HA   LYS  15           HA       LYS  15  10.265  -0.827  -0.910
  106   1HB   LYS  15          2HB       LYS  15  10.811  -1.734  -3.576
  107   2HB   LYS  15          1HB       LYS  15  10.898   0.028  -3.562
  108   1HG   LYS  15          2HG       LYS  15  12.846  -0.008  -2.428
  109   2HG   LYS  15          1HG       LYS  15  12.170  -1.076  -1.197
  110   1HD   LYS  15          2HD       LYS  15  12.444  -2.841  -3.236
  111   2HD   LYS  15          1HD       LYS  15  13.772  -1.742  -3.610
  112   1HE   LYS  15          2HE       LYS  15  13.543  -2.510  -0.748
  113   2HE   LYS  15          1HE       LYS  15  14.015  -3.812  -1.857
  114   1HZ   LYS  15          1HZ       LYS  15  15.973  -2.602  -1.190
  115   2HZ   LYS  15          2HZ       LYS  15  15.273  -1.123  -1.650
  116   3HZ   LYS  15          3HZ       LYS  15  15.667  -2.284  -2.828
  117    H    ILE  16           H        ILE  16   7.289  -0.569  -1.683
  118    HA   ILE  16           HA       ILE  16   7.339   2.365  -2.301
  119    HB   ILE  16           HB       ILE  16   6.370   0.922  -4.081
  120   1HG1  ILE  16          2HG1      ILE  16   4.169   2.104  -4.228
  121   2HG1  ILE  16          1HG1      ILE  16   4.388   2.649  -2.566
  122   1HG2  ILE  16          1HG2      ILE  16   5.449  -0.685  -2.130
  123   2HG2  ILE  16          2HG2      ILE  16   4.697  -0.618  -3.725
  124   3HG2  ILE  16          3HG2      ILE  16   4.001   0.290  -2.382
  125   1HD1  ILE  16          1HD1      ILE  16   5.365   3.883  -4.921
  126   2HD1  ILE  16          2HD1      ILE  16   6.771   3.225  -4.082
  127   3HD1  ILE  16          3HD1      ILE  16   5.692   4.347  -3.251
  128    HA   PRO  17           HA       PRO  17   5.670   2.474   1.844
  129   1HB   PRO  17          2HB       PRO  17   5.655   5.193   2.075
  130   2HB   PRO  17          1HB       PRO  17   7.132   4.222   2.223
  131   1HG   PRO  17          2HG       PRO  17   6.150   5.838  -0.069
  132   2HG   PRO  17          1HG       PRO  17   7.803   5.584   0.507
  133   1HD   PRO  17          2HD       PRO  17   6.695   4.315  -1.660
  134   2HD   PRO  17          1HD       PRO  17   8.068   3.691  -0.723
  135    H    CYS  18           H        CYS  18   3.503   2.250   2.270
  136    HA   CYS  18           HA       CYS  18   1.497   3.594   0.544
  137   1HB   CYS  18          2HB       CYS  18   1.641   1.297   2.433
  138   2HB   CYS  18          1HB       CYS  18   0.093   2.144   2.373
  139    H    CYS  19           H        CYS  19  -0.040   5.099   1.417
  140    HA   CYS  19           HA       CYS  19   0.886   6.890   3.434
  141   1HB   CYS  19          2HB       CYS  19  -1.869   6.352   2.287
  142   2HB   CYS  19          1HB       CYS  19  -1.471   7.761   3.268
  143    H    GLY  20           H        GLY  20  -1.337   4.115   3.640
  144   1HA   GLY  20          2HA       GLY  20  -1.494   4.525   6.597
  145   2HA   GLY  20          1HA       GLY  20  -2.658   3.590   5.651
  146    H    VAL  21           H        VAL  21  -2.417   1.431   5.976
  147    HA   VAL  21           HA       VAL  21   0.365   0.318   6.145
  148    HB   VAL  21           HB       VAL  21  -1.882  -0.862   7.752
  149   1HG1  VAL  21          1HG1      VAL  21   1.027  -1.034   7.568
  150   2HG1  VAL  21          2HG1      VAL  21  -0.120  -2.163   8.290
  151   3HG1  VAL  21          3HG1      VAL  21   0.476  -0.794   9.226
  152   1HG2  VAL  21          1HG2      VAL  21  -0.366   1.672   8.416
  153   2HG2  VAL  21          2HG2      VAL  21  -1.045   0.641   9.676
  154   3HG2  VAL  21          3HG2      VAL  21  -2.107   1.392   8.486
  155    H    CYS  22           H        CYS  22   0.164  -2.210   5.909
  156    HA   CYS  22           HA       CYS  22  -1.527  -2.707   3.511
  157   1HB   CYS  22          2HB       CYS  22   0.962  -3.090   3.552
  158   2HB   CYS  22          1HB       CYS  22   0.694  -4.372   4.733
  159    H    SER  23           H        SER  23  -3.523  -3.525   4.019
  160    HA   SER  23           HA       SER  23  -3.656  -5.794   5.979
  161   1HB   SER  23          2HB       SER  23  -5.871  -4.783   6.660
  162   2HB   SER  23          1HB       SER  23  -4.478  -3.781   7.055
  163    HG   SER  23           HG       SER  23  -6.530  -3.370   5.257
  164    H    HIS  24           H        HIS  24  -4.623  -7.577   5.088
  165    HA   HIS  24           HA       HIS  24  -5.784  -8.945   3.554
  166   1HB   HIS  24          2HB       HIS  24  -7.396  -6.372   3.469
  167   2HB   HIS  24          1HB       HIS  24  -7.936  -7.886   2.748
  168    HD1  HIS  24           1HD      HIS  24  -8.597  -9.818   4.356
  169    HD2  HIS  24           2HD      HIS  24  -7.448  -6.325   6.320
  170    HE1  HIS  24           1HE      HIS  24  -9.264 -10.109   6.782
  171    H    ASN  25           H        ASN  25  -3.487  -7.450   2.562
  172    HA   ASN  25           HA       ASN  25  -2.407  -7.113   0.502
  173   1HB   ASN  25          2HB       ASN  25  -4.320  -9.023   0.073
  174   2HB   ASN  25          1HB       ASN  25  -4.792  -7.801  -1.108
  175   1HD2  ASN  25          1HD2      ASN  25  -3.724  -7.996  -3.088
  176   2HD2  ASN  25          2HD2      ASN  25  -2.199  -8.706  -3.305
  177    H    LYS  26           H        LYS  26  -4.258  -5.051   1.798
  178    HA   LYS  26           HA       LYS  26  -4.584  -3.275  -0.600
  179   1HB   LYS  26          2HB       LYS  26  -6.283  -3.115   1.892
  180   2HB   LYS  26          1HB       LYS  26  -6.650  -2.515   0.279
  181   1HG   LYS  26          2HG       LYS  26  -6.436  -5.453   0.996
  182   2HG   LYS  26          1HG       LYS  26  -7.951  -4.566   0.903
  183   1HD   LYS  26          2HD       LYS  26  -5.996  -5.017  -1.369
  184   2HD   LYS  26          1HD       LYS  26  -7.588  -5.749  -1.196
  185   1HE   LYS  26          2HE       LYS  26  -8.135  -3.041  -0.961
  186   2HE   LYS  26          1HE       LYS  26  -6.872  -3.093  -2.205
  187   1HZ   LYS  26          1HZ       LYS  26  -8.091  -4.614  -3.482
  188   2HZ   LYS  26          2HZ       LYS  26  -9.254  -3.482  -2.976
  189   3HZ   LYS  26          3HZ       LYS  26  -9.145  -4.995  -2.208
  190    H    CYS  27           H        CYS  27  -4.650  -0.883   0.187
  191    HA   CYS  27           HA       CYS  27  -2.762  -0.487   2.488
  192   1HB   CYS  27          2HB       CYS  27  -2.740   0.437  -0.344
  193   2HB   CYS  27          1HB       CYS  27  -2.210   1.601   0.871
  194    H    THR  28           H        THR  28  -3.674   0.788   4.046
  195    HA   THR  28           HA       THR  28  -6.137   2.314   3.425
  196    HB   THR  28           HB       THR  28  -6.082   2.597   5.954
  197    HG1  THR  28           1HG      THR  28  -4.422   1.857   7.033
  198   1HG2  THR  28          1HG2      THR  28  -7.398   0.787   5.652
  199   2HG2  THR  28          2HG2      THR  28  -5.980  -0.170   6.085
  200   3HG2  THR  28          3HG2      THR  28  -6.349   0.138   4.389
  Start of MODEL   16
    1   1H    LYS   1          1HT       LYS   1   6.861  11.207  -0.901
    2   2H    LYS   1          2HT       LYS   1   6.844   9.509  -0.861
    3   3H    LYS   1          3HT       LYS   1   6.459  10.399   0.534
    4    HA   LYS   1           HA       LYS   1   4.447  11.242  -0.492
    5   1HB   LYS   1          2HB       LYS   1   5.957  10.658  -2.779
    6   2HB   LYS   1          1HB       LYS   1   4.611   9.519  -2.843
    7   1HG   LYS   1          2HG       LYS   1   3.283  11.179  -3.571
    8   2HG   LYS   1          1HG       LYS   1   3.519  12.006  -2.033
    9   1HD   LYS   1          2HD       LYS   1   4.519  13.640  -3.232
   10   2HD   LYS   1          1HD       LYS   1   5.882  12.528  -3.388
   11   1HE   LYS   1          2HE       LYS   1   5.445  12.125  -5.592
   12   2HE   LYS   1          1HE       LYS   1   3.693  12.033  -5.318
   13   1HZ   LYS   1          1HZ       LYS   1   4.269  14.022  -6.579
   14   2HZ   LYS   1          2HZ       LYS   1   5.312  14.531  -5.338
   15   3HZ   LYS   1          3HZ       LYS   1   3.639  14.436  -5.061
   16    H    CYS   2           H        CYS   2   2.504   9.684  -1.169
   17    HA   CYS   2           HA       CYS   2   2.920   6.902  -0.217
   18   1HB   CYS   2          2HB       CYS   2   1.449   7.138   1.627
   19   2HB   CYS   2          1HB       CYS   2   2.435   8.596   1.687
   20    H    LEU   3           H        LEU   3   0.964   5.553  -0.629
   21    HA   LEU   3           HA       LEU   3  -0.418   6.418  -3.102
   22   1HB   LEU   3          2HB       LEU   3  -0.244   3.830  -1.529
   23   2HB   LEU   3          1HB       LEU   3  -1.173   3.997  -3.020
   24    HG   LEU   3           HG       LEU   3   1.777   4.647  -2.804
   25   1HD1  LEU   3          1HD1      LEU   3   0.378   2.124  -3.732
   26   2HD1  LEU   3          2HD1      LEU   3   1.518   2.275  -2.395
   27   3HD1  LEU   3          3HD1      LEU   3   2.072   2.483  -4.057
   28   1HD2  LEU   3          1HD2      LEU   3   1.145   5.722  -4.732
   29   2HD2  LEU   3          2HD2      LEU   3  -0.289   4.715  -4.946
   30   3HD2  LEU   3          3HD2      LEU   3   1.297   4.099  -5.408
   31    HA   PRO   4           HA       PRO   4  -4.277   7.299  -1.183
   32   1HB   PRO   4          2HB       PRO   4  -6.058   6.329  -3.025
   33   2HB   PRO   4          1HB       PRO   4  -5.110   7.807  -3.283
   34   1HG   PRO   4          2HG       PRO   4  -4.649   5.058  -4.328
   35   2HG   PRO   4          1HG       PRO   4  -4.440   6.622  -5.133
   36   1HD   PRO   4          2HD       PRO   4  -2.369   5.175  -4.122
   37   2HD   PRO   4          1HD       PRO   4  -2.354   6.948  -4.247
   38    HA   PRO   5           HA       PRO   5  -5.675   3.709   0.949
   39   1HB   PRO   5          2HB       PRO   5  -8.285   4.337   1.496
   40   2HB   PRO   5          1HB       PRO   5  -6.914   5.102   2.320
   41   1HG   PRO   5          2HG       PRO   5  -8.586   6.129   0.082
   42   2HG   PRO   5          1HG       PRO   5  -7.921   6.988   1.481
   43   1HD   PRO   5          2HD       PRO   5  -6.831   7.113  -1.013
   44   2HD   PRO   5          1HD       PRO   5  -5.887   7.314   0.479
   45    H    GLY   6           H        GLY   6  -5.867   1.850  -0.259
   46   1HA   GLY   6          2HA       GLY   6  -7.920   0.441  -1.082
   47   2HA   GLY   6          1HA       GLY   6  -8.007   1.686  -2.327
   48    H    LYS   7           H        LYS   7  -5.053   1.969  -2.480
   49    HA   LYS   7           HA       LYS   7  -4.454   0.195  -4.595
   50   1HB   LYS   7          2HB       LYS   7  -2.834   1.818  -2.635
   51   2HB   LYS   7          1HB       LYS   7  -2.030   0.846  -3.868
   52   1HG   LYS   7          2HG       LYS   7  -4.190   2.879  -4.492
   53   2HG   LYS   7          1HG       LYS   7  -2.465   3.243  -4.547
   54   1HD   LYS   7          2HD       LYS   7  -3.754   0.998  -6.122
   55   2HD   LYS   7          1HD       LYS   7  -3.457   2.607  -6.779
   56   1HE   LYS   7          2HE       LYS   7  -0.990   2.160  -5.887
   57   2HE   LYS   7          1HE       LYS   7  -1.484   0.466  -6.059
   58   1HZ   LYS   7          1HZ       LYS   7  -0.618   1.245  -8.151
   59   2HZ   LYS   7          2HZ       LYS   7  -1.666   2.582  -8.141
   60   3HZ   LYS   7          3HZ       LYS   7  -2.291   1.010  -8.307
   61    HA   PRO   8           HA       PRO   8  -3.816  -3.552  -2.264
   62   1HB   PRO   8          2HB       PRO   8  -2.950  -5.099  -4.348
   63   2HB   PRO   8          1HB       PRO   8  -4.657  -4.689  -4.089
   64   1HG   PRO   8          2HG       PRO   8  -2.694  -3.509  -5.986
   65   2HG   PRO   8          1HG       PRO   8  -4.419  -3.845  -6.207
   66   1HD   PRO   8          2HD       PRO   8  -3.408  -1.358  -5.694
   67   2HD   PRO   8          1HD       PRO   8  -5.058  -1.863  -5.267
   68    H    CYS   9           H        CYS   9  -2.021  -4.102  -1.068
   69    HA   CYS   9           HA       CYS   9   0.686  -3.504  -2.222
   70   1HB   CYS   9          2HB       CYS   9   1.341  -2.844  -0.028
   71   2HB   CYS   9          1HB       CYS   9  -0.264  -2.152  -0.249
   72    H    TYR  10           H        TYR  10   2.442  -4.943  -1.281
   73    HA   TYR  10           HA       TYR  10   1.468  -7.759  -1.171
   74   1HB   TYR  10          2HB       TYR  10   3.892  -6.286  -2.041
   75   2HB   TYR  10          1HB       TYR  10   4.185  -7.874  -1.335
   76    HD1  TYR  10           1HD      TYR  10   3.775  -6.322  -4.360
   77    HD2  TYR  10           2HD      TYR  10   2.149  -9.619  -2.135
   78    HE1  TYR  10           1HE      TYR  10   3.047  -7.392  -6.475
   79    HE2  TYR  10           2HE      TYR  10   1.423 -10.687  -4.250
   80    HH   TYR  10           HH       TYR  10   0.934  -9.330  -6.920
   81    H    GLY  11           H        GLY  11   2.861  -9.214   0.316
   82   1HA   GLY  11          2HA       GLY  11   2.706  -8.155   3.034
   83   2HA   GLY  11          1HA       GLY  11   3.173  -9.795   2.585
   84    H    ALA  12           H        ALA  12   5.403 -10.008   1.588
   85    HA   ALA  12           HA       ALA  12   7.297  -8.179   3.013
   86   1HB   ALA  12          1HB       ALA  12   8.317 -10.112   3.588
   87   2HB   ALA  12          2HB       ALA  12   8.441 -10.599   1.897
   88   3HB   ALA  12          3HB       ALA  12   6.987 -10.979   2.821
   89    H    THR  13           H        THR  13   6.050  -7.599   0.329
   90    HA   THR  13           HA       THR  13   8.594  -7.136  -1.150
   91    HB   THR  13           HB       THR  13   6.096  -8.377  -2.363
   92    HG1  THR  13           1HG      THR  13   6.912 -10.190  -1.749
   93   1HG2  THR  13          1HG2      THR  13   8.183  -8.846  -4.069
   94   2HG2  THR  13          2HG2      THR  13   8.604  -7.256  -3.432
   95   3HG2  THR  13          3HG2      THR  13   7.051  -7.504  -4.228
   96    H    GLN  14           H        GLN  14   7.791  -4.987  -0.070
   97    HA   GLN  14           HA       GLN  14   6.003  -3.595  -2.029
   98   1HB   GLN  14          2HB       GLN  14   4.858  -4.145   0.102
   99   2HB   GLN  14          1HB       GLN  14   6.113  -3.280   0.989
  100   1HG   GLN  14          2HG       GLN  14   5.523  -1.203  -0.235
  101   2HG   GLN  14          1HG       GLN  14   4.235  -2.074  -1.065
  102   1HE2  GLN  14          1HE2      GLN  14   2.948  -0.241   0.127
  103   2HE2  GLN  14          2HE2      GLN  14   2.391  -0.609   1.687
  104    H    LYS  15           H        LYS  15   7.614  -2.452  -3.123
  105    HA   LYS  15           HA       LYS  15   9.708  -1.010  -1.601
  106   1HB   LYS  15          2HB       LYS  15   9.088  -1.395  -4.547
  107   2HB   LYS  15          1HB       LYS  15  10.484  -0.496  -3.950
  108   1HG   LYS  15          2HG       LYS  15  11.226  -2.530  -2.712
  109   2HG   LYS  15          1HG       LYS  15   9.875  -3.421  -3.416
  110   1HD   LYS  15          2HD       LYS  15  11.630  -1.942  -5.314
  111   2HD   LYS  15          1HD       LYS  15  12.320  -3.373  -4.548
  112   1HE   LYS  15          2HE       LYS  15  11.282  -4.441  -6.311
  113   2HE   LYS  15          1HE       LYS  15   9.869  -4.345  -5.242
  114   1HZ   LYS  15          1HZ       LYS  15   9.605  -3.379  -7.564
  115   2HZ   LYS  15          2HZ       LYS  15  10.621  -2.119  -7.048
  116   3HZ   LYS  15          3HZ       LYS  15   9.135  -2.389  -6.270
  117    H    ILE  16           H        ILE  16   6.743  -0.244  -1.568
  118    HA   ILE  16           HA       ILE  16   7.127   2.616  -2.351
  119    HB   ILE  16           HB       ILE  16   5.790   1.042  -3.936
  120   1HG1  ILE  16          2HG1      ILE  16   5.837   3.582  -3.935
  121   2HG1  ILE  16          1HG1      ILE  16   4.383   2.854  -4.613
  122   1HG2  ILE  16          1HG2      ILE  16   3.659   1.532  -1.838
  123   2HG2  ILE  16          2HG2      ILE  16   4.465  -0.014  -2.102
  124   3HG2  ILE  16          3HG2      ILE  16   3.458   0.683  -3.371
  125   1HD1  ILE  16          1HD1      ILE  16   4.733   4.299  -2.007
  126   2HD1  ILE  16          2HD1      ILE  16   3.471   3.081  -2.151
  127   3HD1  ILE  16          3HD1      ILE  16   3.472   4.481  -3.222
  128    HA   PRO  17           HA       PRO  17   5.771   3.094   1.860
  129   1HB   PRO  17          2HB       PRO  17   5.606   5.824   1.854
  130   2HB   PRO  17          1HB       PRO  17   7.151   4.954   1.929
  131   1HG   PRO  17          2HG       PRO  17   5.822   6.256  -0.396
  132   2HG   PRO  17          1HG       PRO  17   7.537   6.206   0.040
  133   1HD   PRO  17          2HD       PRO  17   6.425   4.633  -1.881
  134   2HD   PRO  17          1HD       PRO  17   7.863   4.174  -0.946
  135    H    CYS  18           H        CYS  18   3.646   2.605   2.347
  136    HA   CYS  18           HA       CYS  18   1.436   3.806   0.775
  137   1HB   CYS  18          2HB       CYS  18   1.905   1.488   2.562
  138   2HB   CYS  18          1HB       CYS  18   0.297   2.204   2.681
  139    H    CYS  19           H        CYS  19  -0.050   5.280   1.650
  140    HA   CYS  19           HA       CYS  19   0.749   6.991   3.794
  141   1HB   CYS  19          2HB       CYS  19  -1.330   6.756   1.848
  142   2HB   CYS  19          1HB       CYS  19  -2.096   7.034   3.410
  143    H    GLY  20           H        GLY  20  -1.668   4.346   3.718
  144   1HA   GLY  20          2HA       GLY  20  -1.967   4.553   6.665
  145   2HA   GLY  20          1HA       GLY  20  -2.986   3.590   5.594
  146    H    VAL  21           H        VAL  21  -2.679   1.453   5.944
  147    HA   VAL  21           HA       VAL  21   0.120   0.427   6.241
  148    HB   VAL  21           HB       VAL  21  -2.111  -0.771   7.854
  149   1HG1  VAL  21          1HG1      VAL  21  -0.178  -1.988   8.172
  150   2HG1  VAL  21          2HG1      VAL  21   0.017  -0.795   9.455
  151   3HG1  VAL  21          3HG1      VAL  21   0.871  -0.591   7.926
  152   1HG2  VAL  21          1HG2      VAL  21  -0.674   1.818   8.502
  153   2HG2  VAL  21          2HG2      VAL  21  -1.434   0.818   9.740
  154   3HG2  VAL  21          3HG2      VAL  21  -2.414   1.533   8.459
  155    H    CYS  22           H        CYS  22  -0.004  -2.098   6.063
  156    HA   CYS  22           HA       CYS  22  -1.542  -2.725   3.617
  157   1HB   CYS  22          2HB       CYS  22   0.772  -3.810   5.148
  158   2HB   CYS  22          1HB       CYS  22  -0.159  -4.975   4.207
  159    H    SER  23           H        SER  23  -3.695  -3.051   4.236
  160    HA   SER  23           HA       SER  23  -4.208  -5.371   6.066
  161   1HB   SER  23          2HB       SER  23  -6.133  -4.052   6.945
  162   2HB   SER  23          1HB       SER  23  -4.595  -3.243   7.238
  163    HG   SER  23           HG       SER  23  -6.704  -2.555   5.574
  164    H    HIS  24           H        HIS  24  -5.901  -6.729   5.364
  165    HA   HIS  24           HA       HIS  24  -7.351  -7.736   3.794
  166   1HB   HIS  24          2HB       HIS  24  -7.993  -4.783   3.715
  167   2HB   HIS  24          1HB       HIS  24  -8.895  -5.930   2.726
  168    HD1  HIS  24           1HD      HIS  24 -10.996  -6.595   3.872
  169    HD2  HIS  24           2HD      HIS  24  -7.891  -6.040   6.600
  170    HE1  HIS  24           1HE      HIS  24 -11.949  -7.113   6.161
  171    H    ASN  25           H        ASN  25  -4.669  -7.250   2.841
  172    HA   ASN  25           HA       ASN  25  -3.446  -7.280   0.832
  173   1HB   ASN  25          2HB       ASN  25  -5.797  -8.654   0.484
  174   2HB   ASN  25          1HB       ASN  25  -5.877  -7.487  -0.837
  175   1HD2  ASN  25          1HD2      ASN  25  -3.681  -7.324  -2.134
  176   2HD2  ASN  25          2HD2      ASN  25  -2.889  -8.796  -2.435
  177    H    LYS  26           H        LYS  26  -4.482  -4.660   1.842
  178    HA   LYS  26           HA       LYS  26  -3.986  -3.103  -0.602
  179   1HB   LYS  26          2HB       LYS  26  -6.139  -1.936  -0.533
  180   2HB   LYS  26          1HB       LYS  26  -6.416  -3.672  -0.674
  181   1HG   LYS  26          2HG       LYS  26  -7.302  -3.841   1.432
  182   2HG   LYS  26          1HG       LYS  26  -6.249  -2.591   2.090
  183   1HD   LYS  26          2HD       LYS  26  -8.345  -1.806   0.096
  184   2HD   LYS  26          1HD       LYS  26  -8.828  -2.115   1.764
  185   1HE   LYS  26          2HE       LYS  26  -7.045  -0.495   2.516
  186   2HE   LYS  26          1HE       LYS  26  -6.777  -0.089   0.809
  187   1HZ   LYS  26          1HZ       LYS  26  -9.404   0.038   2.197
  188   2HZ   LYS  26          2HZ       LYS  26  -9.099   0.477   0.585
  189   3HZ   LYS  26          3HZ       LYS  26  -8.426   1.380   1.856
  190    H    CYS  27           H        CYS  27  -4.004  -0.684  -0.048
  191    HA   CYS  27           HA       CYS  27  -2.871  -0.315   2.691
  192   1HB   CYS  27          2HB       CYS  27  -2.584   1.026   0.009
  193   2HB   CYS  27          1HB       CYS  27  -2.084   1.860   1.479
  194    H    THR  28           H        THR  28  -4.011   0.896   4.159
  195    HA   THR  28           HA       THR  28  -6.542   2.173   3.310
  196    HB   THR  28           HB       THR  28  -6.663   2.496   5.867
  197    HG1  THR  28           1HG      THR  28  -4.835   2.153   6.816
  198   1HG2  THR  28          1HG2      THR  28  -6.416  -0.208   4.541
  199   2HG2  THR  28          2HG2      THR  28  -7.886   0.699   4.895
  200   3HG2  THR  28          3HG2      THR  28  -6.956  -0.021   6.209
  Start of MODEL   17
    1   1H    LYS   1          1HT       LYS   1   6.562  10.665  -3.110
    2   2H    LYS   1          2HT       LYS   1   5.791   9.284  -3.733
    3   3H    LYS   1          3HT       LYS   1   6.734   9.172  -2.323
    4    HA   LYS   1           HA       LYS   1   5.145  10.701  -1.192
    5   1HB   LYS   1          2HB       LYS   1   3.937  10.371  -3.937
    6   2HB   LYS   1          1HB       LYS   1   2.922  10.789  -2.558
    7   1HG   LYS   1          2HG       LYS   1   5.431  12.360  -2.901
    8   2HG   LYS   1          1HG       LYS   1   4.133  12.660  -4.059
    9   1HD   LYS   1          2HD       LYS   1   2.725  12.622  -1.721
   10   2HD   LYS   1          1HD       LYS   1   4.265  13.284  -1.170
   11   1HE   LYS   1          2HE       LYS   1   3.122  15.226  -1.851
   12   2HE   LYS   1          1HE       LYS   1   4.031  14.818  -3.318
   13   1HZ   LYS   1          1HZ       LYS   1   1.762  15.106  -3.941
   14   2HZ   LYS   1          2HZ       LYS   1   1.217  14.095  -2.690
   15   3HZ   LYS   1          3HZ       LYS   1   2.084  13.442  -3.997
   16    H    CYS   2           H        CYS   2   2.975   9.764  -0.352
   17    HA   CYS   2           HA       CYS   2   3.295   6.847  -0.049
   18   1HB   CYS   2          2HB       CYS   2   1.866   7.143   1.815
   19   2HB   CYS   2          1HB       CYS   2   2.784   8.647   1.748
   20    H    LEU   3           H        LEU   3   1.399   5.396  -0.334
   21    HA   LEU   3           HA       LEU   3  -0.052   6.006  -2.834
   22   1HB   LEU   3          2HB       LEU   3   0.107   3.581  -1.013
   23   2HB   LEU   3          1HB       LEU   3  -0.741   3.605  -2.558
   24    HG   LEU   3           HG       LEU   3   1.713   4.625  -3.258
   25   1HD1  LEU   3          1HD1      LEU   3   3.124   2.607  -2.146
   26   2HD1  LEU   3          2HD1      LEU   3   1.996   2.928  -0.831
   27   3HD1  LEU   3          3HD1      LEU   3   3.039   4.216  -1.432
   28   1HD2  LEU   3          1HD2      LEU   3   0.729   1.756  -3.217
   29   2HD2  LEU   3          2HD2      LEU   3   2.141   2.291  -4.126
   30   3HD2  LEU   3          3HD2      LEU   3   0.545   2.925  -4.523
   31    HA   PRO   4           HA       PRO   4  -3.791   7.179  -0.803
   32   1HB   PRO   4          2HB       PRO   4  -5.597   6.529  -2.758
   33   2HB   PRO   4          1HB       PRO   4  -4.526   7.941  -2.861
   34   1HG   PRO   4          2HG       PRO   4  -4.272   5.275  -4.157
   35   2HG   PRO   4          1HG       PRO   4  -3.898   6.882  -4.798
   36   1HD   PRO   4          2HD       PRO   4  -2.006   5.145  -3.879
   37   2HD   PRO   4          1HD       PRO   4  -1.812   6.912  -3.859
   38    HA   PRO   5           HA       PRO   5  -5.570   3.542   0.930
   39   1HB   PRO   5          2HB       PRO   5  -8.159   4.314   1.417
   40   2HB   PRO   5          1HB       PRO   5  -6.781   4.892   2.374
   41   1HG   PRO   5          2HG       PRO   5  -8.262   6.248   0.177
   42   2HG   PRO   5          1HG       PRO   5  -7.596   6.920   1.674
   43   1HD   PRO   5          2HD       PRO   5  -6.392   7.180  -0.761
   44   2HD   PRO   5          1HD       PRO   5  -5.507   7.183   0.781
   45    H    GLY   6           H        GLY   6  -6.099   1.710  -0.187
   46   1HA   GLY   6          2HA       GLY   6  -8.157   0.640  -1.335
   47   2HA   GLY   6          1HA       GLY   6  -7.960   1.938  -2.515
   48    H    LYS   7           H        LYS   7  -5.108   1.970  -2.597
   49    HA   LYS   7           HA       LYS   7  -4.507   0.048  -4.591
   50   1HB   LYS   7          2HB       LYS   7  -2.733   1.533  -2.618
   51   2HB   LYS   7          1HB       LYS   7  -2.138   0.713  -4.060
   52   1HG   LYS   7          2HG       LYS   7  -4.267   2.864  -4.168
   53   2HG   LYS   7          1HG       LYS   7  -2.546   3.220  -4.300
   54   1HD   LYS   7          2HD       LYS   7  -2.337   2.144  -6.353
   55   2HD   LYS   7          1HD       LYS   7  -3.726   1.097  -6.060
   56   1HE   LYS   7          2HE       LYS   7  -4.184   4.062  -6.254
   57   2HE   LYS   7          1HE       LYS   7  -3.959   3.125  -7.746
   58   1HZ   LYS   7          1HZ       LYS   7  -5.895   2.517  -5.568
   59   2HZ   LYS   7          2HZ       LYS   7  -5.640   1.553  -6.946
   60   3HZ   LYS   7          3HZ       LYS   7  -6.283   3.116  -7.105
   61    HA   PRO   8           HA       PRO   8  -4.082  -3.520  -1.943
   62   1HB   PRO   8          2HB       PRO   8  -3.293  -5.289  -3.877
   63   2HB   PRO   8          1HB       PRO   8  -4.975  -4.765  -3.672
   64   1HG   PRO   8          2HG       PRO   8  -2.949  -3.885  -5.659
   65   2HG   PRO   8          1HG       PRO   8  -4.694  -4.115  -5.848
   66   1HD   PRO   8          2HD       PRO   8  -3.477  -1.672  -5.538
   67   2HD   PRO   8          1HD       PRO   8  -5.174  -2.006  -5.130
   68    H    CYS   9           H        CYS   9  -2.315  -3.950  -0.661
   69    HA   CYS   9           HA       CYS   9   0.371  -3.132  -1.503
   70   1HB   CYS   9          2HB       CYS   9   0.750  -3.140   0.757
   71   2HB   CYS   9          1HB       CYS   9  -1.004  -3.249   0.857
   72    H    TYR  10           H        TYR  10   2.100  -4.519  -2.021
   73    HA   TYR  10           HA       TYR  10   1.356  -7.245  -2.872
   74   1HB   TYR  10          2HB       TYR  10   3.521  -5.265  -3.309
   75   2HB   TYR  10          1HB       TYR  10   4.007  -6.956  -3.425
   76    HD1  TYR  10           1HD      TYR  10   1.687  -4.385  -4.766
   77    HD2  TYR  10           2HD      TYR  10   3.270  -8.352  -5.235
   78    HE1  TYR  10           1HE      TYR  10   0.660  -4.530  -7.019
   79    HE2  TYR  10           2HE      TYR  10   2.242  -8.495  -7.486
   80    HH   TYR  10           HH       TYR  10  -0.034  -7.043  -8.563
   81    H    GLY  11           H        GLY  11   1.008  -8.009  -0.583
   82   1HA   GLY  11          2HA       GLY  11   1.703  -9.151   1.345
   83   2HA   GLY  11          1HA       GLY  11   3.045  -9.694   0.343
   84    H    ALA  12           H        ALA  12   4.794  -9.466   1.687
   85    HA   ALA  12           HA       ALA  12   5.140  -6.869   3.137
   86   1HB   ALA  12          1HB       ALA  12   6.767  -8.222   4.476
   87   2HB   ALA  12          2HB       ALA  12   6.387  -9.616   3.465
   88   3HB   ALA  12          3HB       ALA  12   5.140  -8.907   4.492
   89    H    THR  13           H        THR  13   5.725  -7.316   0.213
   90    HA   THR  13           HA       THR  13   8.636  -6.592   0.282
   91    HB   THR  13           HB       THR  13   7.180  -8.277  -1.791
   92    HG1  THR  13           1HG      THR  13   9.129  -9.095   0.094
   93   1HG2  THR  13          1HG2      THR  13   9.908  -7.110  -1.571
   94   2HG2  THR  13          2HG2      THR  13   8.948  -7.463  -3.007
   95   3HG2  THR  13          3HG2      THR  13   9.801  -8.763  -2.177
   96    H    GLN  14           H        GLN  14   7.973  -4.344   0.195
   97    HA   GLN  14           HA       GLN  14   7.010  -3.485  -2.508
   98   1HB   GLN  14          2HB       GLN  14   5.989  -2.748   0.244
   99   2HB   GLN  14          1HB       GLN  14   5.686  -1.724  -1.161
  100   1HG   GLN  14          2HG       GLN  14   4.410  -3.404  -2.246
  101   2HG   GLN  14          1HG       GLN  14   4.999  -4.667  -1.162
  102   1HE2  GLN  14          1HE2      GLN  14   3.526  -1.403  -0.589
  103   2HE2  GLN  14          2HE2      GLN  14   2.356  -1.970   0.500
  104    H    LYS  15           H        LYS  15   8.267  -1.814  -3.312
  105    HA   LYS  15           HA       LYS  15  10.321  -0.625  -1.531
  106   1HB   LYS  15          2HB       LYS  15  10.169  -1.435  -4.224
  107   2HB   LYS  15          1HB       LYS  15  10.258   0.327  -4.281
  108   1HG   LYS  15          2HG       LYS  15  12.478   0.147  -3.939
  109   2HG   LYS  15          1HG       LYS  15  12.114  -0.424  -2.311
  110   1HD   LYS  15          2HD       LYS  15  12.156  -2.273  -4.705
  111   2HD   LYS  15          1HD       LYS  15  13.588  -1.960  -3.723
  112   1HE   LYS  15          2HE       LYS  15  11.922  -2.553  -1.720
  113   2HE   LYS  15          1HE       LYS  15  11.095  -3.459  -3.004
  114   1HZ   LYS  15          1HZ       LYS  15  12.783  -4.858  -2.072
  115   2HZ   LYS  15          2HZ       LYS  15  13.965  -3.652  -2.250
  116   3HZ   LYS  15          3HZ       LYS  15  13.289  -4.393  -3.622
  117    H    ILE  16           H        ILE  16   7.280   0.026  -1.644
  118    HA   ILE  16           HA       ILE  16   7.602   2.982  -1.612
  119    HB   ILE  16           HB       ILE  16   6.726   2.195  -3.801
  120   1HG1  ILE  16          2HG1      ILE  16   4.596   3.555  -3.761
  121   2HG1  ILE  16          1HG1      ILE  16   4.760   3.648  -2.008
  122   1HG2  ILE  16          1HG2      ILE  16   5.571   0.160  -2.638
  123   2HG2  ILE  16          2HG2      ILE  16   4.783   0.901  -4.031
  124   3HG2  ILE  16          3HG2      ILE  16   4.225   1.273  -2.402
  125   1HD1  ILE  16          1HD1      ILE  16   6.119   5.416  -2.264
  126   2HD1  ILE  16          2HD1      ILE  16   6.066   5.241  -4.017
  127   3HD1  ILE  16          3HD1      ILE  16   7.279   4.371  -3.081
  128    HA   PRO  17           HA       PRO  17   5.460   2.036   2.201
  129   1HB   PRO  17          2HB       PRO  17   5.582   4.558   3.248
  130   2HB   PRO  17          1HB       PRO  17   6.966   3.447   3.244
  131   1HG   PRO  17          2HG       PRO  17   6.400   5.768   1.489
  132   2HG   PRO  17          1HG       PRO  17   7.947   5.155   2.093
  133   1HD   PRO  17          2HD       PRO  17   6.963   4.741  -0.456
  134   2HD   PRO  17          1HD       PRO  17   8.206   3.747   0.332
  135    H    CYS  18           H        CYS  18   3.261   1.993   2.494
  136    HA   CYS  18           HA       CYS  18   1.508   3.690   0.845
  137   1HB   CYS  18          2HB       CYS  18   1.238   1.371   2.753
  138   2HB   CYS  18          1HB       CYS  18  -0.200   2.272   2.271
  139    H    CYS  19           H        CYS  19   0.055   5.277   1.717
  140    HA   CYS  19           HA       CYS  19   0.950   6.857   3.902
  141   1HB   CYS  19          2HB       CYS  19  -1.183   6.791   1.989
  142   2HB   CYS  19          1HB       CYS  19  -1.881   7.129   3.573
  143    H    GLY  20           H        GLY  20  -1.654   4.393   3.807
  144   1HA   GLY  20          2HA       GLY  20  -1.830   4.502   6.773
  145   2HA   GLY  20          1HA       GLY  20  -2.985   3.698   5.705
  146    H    VAL  21           H        VAL  21  -2.875   1.536   6.170
  147    HA   VAL  21           HA       VAL  21  -0.165   0.247   6.149
  148    HB   VAL  21           HB       VAL  21  -2.358  -0.858   7.861
  149   1HG1  VAL  21          1HG1      VAL  21  -0.486  -2.183   8.044
  150   2HG1  VAL  21          2HG1      VAL  21  -0.134  -1.029   9.328
  151   3HG1  VAL  21          3HG1      VAL  21   0.622  -0.844   7.747
  152   1HG2  VAL  21          1HG2      VAL  21  -1.462   0.619   9.758
  153   2HG2  VAL  21          2HG2      VAL  21  -2.516   1.416   8.589
  154   3HG2  VAL  21          3HG2      VAL  21  -0.769   1.639   8.498
  155    H    CYS  22           H        CYS  22  -0.505  -2.243   5.847
  156    HA   CYS  22           HA       CYS  22  -2.343  -2.594   3.545
  157   1HB   CYS  22          2HB       CYS  22  -0.005  -3.286   3.349
  158   2HB   CYS  22          1HB       CYS  22  -0.161  -4.317   4.771
  159    H    SER  23           H        SER  23  -4.415  -2.869   4.447
  160    HA   SER  23           HA       SER  23  -4.802  -4.955   6.546
  161   1HB   SER  23          2HB       SER  23  -5.838  -2.750   6.860
  162   2HB   SER  23          1HB       SER  23  -6.609  -2.861   5.278
  163    HG   SER  23           HG       SER  23  -8.088  -4.116   6.112
  164    H    HIS  24           H        HIS  24  -5.071  -6.996   5.671
  165    HA   HIS  24           HA       HIS  24  -5.795  -8.713   4.215
  166   1HB   HIS  24          2HB       HIS  24  -7.922  -6.570   4.025
  167   2HB   HIS  24          1HB       HIS  24  -8.058  -8.050   3.079
  168    HD1  HIS  24           1HD      HIS  24  -7.891 -10.346   4.561
  169    HD2  HIS  24           2HD      HIS  24  -8.790  -6.847   6.642
  170    HE1  HIS  24           1HE      HIS  24  -8.866 -11.065   6.786
  171    H    ASN  25           H        ASN  25  -3.729  -7.121   3.229
  172    HA   ASN  25           HA       ASN  25  -2.591  -6.658   1.223
  173   1HB   ASN  25          2HB       ASN  25  -4.117  -8.840   0.775
  174   2HB   ASN  25          1HB       ASN  25  -4.846  -7.742  -0.398
  175   1HD2  ASN  25          1HD2      ASN  25  -3.723  -7.438  -2.352
  176   2HD2  ASN  25          2HD2      ASN  25  -2.137  -7.973  -2.637
  177    H    LYS  26           H        LYS  26  -4.397  -4.655   2.370
  178    HA   LYS  26           HA       LYS  26  -5.012  -3.099  -0.119
  179   1HB   LYS  26          2HB       LYS  26  -6.775  -3.298   2.347
  180   2HB   LYS  26          1HB       LYS  26  -7.149  -2.436   0.858
  181   1HG   LYS  26          2HG       LYS  26  -6.496  -5.163   0.214
  182   2HG   LYS  26          1HG       LYS  26  -7.718  -5.147   1.483
  183   1HD   LYS  26          2HD       LYS  26  -8.989  -5.044  -0.497
  184   2HD   LYS  26          1HD       LYS  26  -8.906  -3.362   0.024
  185   1HE   LYS  26          2HE       LYS  26  -7.103  -2.900  -1.547
  186   2HE   LYS  26          1HE       LYS  26  -7.012  -4.615  -1.996
  187   1HZ   LYS  26          1HZ       LYS  26  -8.396  -3.325  -3.545
  188   2HZ   LYS  26          2HZ       LYS  26  -9.437  -2.913  -2.265
  189   3HZ   LYS  26          3HZ       LYS  26  -9.284  -4.535  -2.754
  190    H    CYS  27           H        CYS  27  -3.663  -1.320   0.055
  191    HA   CYS  27           HA       CYS  27  -2.634  -0.325   2.583
  192   1HB   CYS  27          2HB       CYS  27  -2.652   0.576  -0.296
  193   2HB   CYS  27          1HB       CYS  27  -2.017   1.638   0.961
  194    H    THR  28           H        THR  28  -3.907   0.809   4.019
  195    HA   THR  28           HA       THR  28  -6.325   2.226   3.054
  196    HB   THR  28           HB       THR  28  -6.620   2.515   5.578
  197    HG1  THR  28           1HG      THR  28  -4.897   2.140   6.687
  198   1HG2  THR  28          1HG2      THR  28  -7.875   0.714   5.014
  199   2HG2  THR  28          2HG2      THR  28  -6.573  -0.222   5.749
  200   3HG2  THR  28          3HG2      THR  28  -6.605   0.027   4.003
  Start of MODEL   18
    1   1H    LYS   1          1HT       LYS   1   7.330  10.400  -1.374
    2   2H    LYS   1          2HT       LYS   1   7.449   8.705  -1.398
    3   3H    LYS   1          3HT       LYS   1   6.813   9.496  -0.036
    4    HA   LYS   1           HA       LYS   1   4.922  10.287  -1.374
    5   1HB   LYS   1          2HB       LYS   1   6.686   8.994  -3.402
    6   2HB   LYS   1          1HB       LYS   1   4.947   8.827  -3.644
    7   1HG   LYS   1          2HG       LYS   1   4.802  11.358  -3.280
    8   2HG   LYS   1          1HG       LYS   1   6.558  11.379  -3.438
    9   1HD   LYS   1          2HD       LYS   1   5.913  11.748  -5.644
   10   2HD   LYS   1          1HD       LYS   1   6.077   9.991  -5.630
   11   1HE   LYS   1          2HE       LYS   1   3.951  10.161  -6.560
   12   2HE   LYS   1          1HE       LYS   1   3.503  10.161  -4.844
   13   1HZ   LYS   1          1HZ       LYS   1   4.087  12.591  -6.458
   14   2HZ   LYS   1          2HZ       LYS   1   3.617  12.564  -4.825
   15   3HZ   LYS   1          3HZ       LYS   1   2.534  12.057  -6.032
   16    H    CYS   2           H        CYS   2   3.083   9.077  -0.929
   17    HA   CYS   2           HA       CYS   2   3.481   6.154  -0.361
   18   1HB   CYS   2          2HB       CYS   2   1.939   6.441   1.457
   19   2HB   CYS   2          1HB       CYS   2   3.065   7.792   1.552
   20    H    LEU   3           H        LEU   3   1.337   4.912  -0.526
   21    HA   LEU   3           HA       LEU   3   0.043   5.563  -3.113
   22   1HB   LEU   3          2HB       LEU   3  -0.265   3.205  -1.222
   23   2HB   LEU   3          1HB       LEU   3  -0.811   3.272  -2.897
   24    HG   LEU   3           HG       LEU   3   1.949   4.006  -2.851
   25   1HD1  LEU   3          1HD1      LEU   3   2.811   1.758  -1.994
   26   2HD1  LEU   3          2HD1      LEU   3   1.233   1.550  -1.236
   27   3HD1  LEU   3          3HD1      LEU   3   2.268   2.896  -0.764
   28   1HD2  LEU   3          1HD2      LEU   3   0.305   2.675  -4.505
   29   2HD2  LEU   3          2HD2      LEU   3   1.067   1.290  -3.724
   30   3HD2  LEU   3          3HD2      LEU   3   2.056   2.476  -4.573
   31    HA   PRO   4           HA       PRO   4  -3.665   7.084  -1.285
   32   1HB   PRO   4          2HB       PRO   4  -5.549   6.229  -3.079
   33   2HB   PRO   4          1HB       PRO   4  -4.423   7.558  -3.419
   34   1HG   PRO   4          2HG       PRO   4  -4.321   4.721  -4.297
   35   2HG   PRO   4          1HG       PRO   4  -3.892   6.193  -5.181
   36   1HD   PRO   4          2HD       PRO   4  -2.056   4.521  -4.041
   37   2HD   PRO   4          1HD       PRO   4  -1.778   6.256  -4.306
   38    HA   PRO   5           HA       PRO   5  -5.415   3.784   1.034
   39   1HB   PRO   5          2HB       PRO   5  -7.810   4.875   1.789
   40   2HB   PRO   5          1HB       PRO   5  -6.254   5.391   2.469
   41   1HG   PRO   5          2HG       PRO   5  -7.944   6.696   0.405
   42   2HG   PRO   5          1HG       PRO   5  -6.940   7.419   1.670
   43   1HD   PRO   5          2HD       PRO   5  -6.222   7.241  -0.982
   44   2HD   PRO   5          1HD       PRO   5  -5.075   7.411   0.364
   45    H    GLY   6           H        GLY   6  -6.239   1.924   0.185
   46   1HA   GLY   6          2HA       GLY   6  -8.413   0.822  -0.489
   47   2HA   GLY   6          1HA       GLY   6  -8.580   2.118  -1.672
   48    H    LYS   7           H        LYS   7  -5.746   2.145  -2.419
   49    HA   LYS   7           HA       LYS   7  -5.736   0.264  -4.559
   50   1HB   LYS   7          2HB       LYS   7  -3.742   2.014  -3.153
   51   2HB   LYS   7          1HB       LYS   7  -3.153   0.856  -4.343
   52   1HG   LYS   7          2HG       LYS   7  -5.404   2.787  -4.933
   53   2HG   LYS   7          1HG       LYS   7  -3.711   3.174  -5.244
   54   1HD   LYS   7          2HD       LYS   7  -3.546   1.107  -6.646
   55   2HD   LYS   7          1HD       LYS   7  -5.280   0.865  -6.425
   56   1HE   LYS   7          2HE       LYS   7  -4.294   3.522  -7.442
   57   2HE   LYS   7          1HE       LYS   7  -4.438   2.153  -8.562
   58   1HZ   LYS   7          1HZ       LYS   7  -6.710   1.807  -7.772
   59   2HZ   LYS   7          2HZ       LYS   7  -6.526   3.360  -8.435
   60   3HZ   LYS   7          3HZ       LYS   7  -6.577   3.152  -6.750
   61    HA   PRO   8           HA       PRO   8  -4.521  -3.453  -2.516
   62   1HB   PRO   8          2HB       PRO   8  -3.315  -4.765  -4.599
   63   2HB   PRO   8          1HB       PRO   8  -5.074  -4.580  -4.454
   64   1HG   PRO   8          2HG       PRO   8  -3.142  -3.048  -6.122
   65   2HG   PRO   8          1HG       PRO   8  -4.779  -3.600  -6.510
   66   1HD   PRO   8          2HD       PRO   8  -4.196  -1.037  -5.806
   67   2HD   PRO   8          1HD       PRO   8  -5.771  -1.800  -5.493
   68    H    CYS   9           H        CYS   9  -2.762  -4.034  -1.310
   69    HA   CYS   9           HA       CYS   9  -0.101  -2.837  -1.979
   70   1HB   CYS   9          2HB       CYS   9  -0.859  -1.954   0.067
   71   2HB   CYS   9          1HB       CYS   9  -1.633  -3.464   0.540
   72    H    TYR  10           H        TYR  10   1.725  -4.226  -1.924
   73    HA   TYR  10           HA       TYR  10   1.130  -7.124  -2.159
   74   1HB   TYR  10          2HB       TYR  10   3.669  -5.513  -2.615
   75   2HB   TYR  10          1HB       TYR  10   3.403  -7.184  -3.111
   76    HD1  TYR  10           1HD      TYR  10   1.229  -7.585  -4.587
   77    HD2  TYR  10           2HD      TYR  10   3.218  -3.803  -4.140
   78    HE1  TYR  10           1HE      TYR  10   0.185  -6.784  -6.689
   79    HE2  TYR  10           2HE      TYR  10   2.175  -3.006  -6.241
   80    HH   TYR  10           HH       TYR  10  -0.275  -3.926  -7.538
   81    H    GLY  11           H        GLY  11   0.698  -7.075   0.314
   82   1HA   GLY  11          2HA       GLY  11   1.374  -7.643   2.487
   83   2HA   GLY  11          1HA       GLY  11   2.753  -8.417   1.710
   84    H    ALA  12           H        ALA  12   4.333  -7.741   3.186
   85    HA   ALA  12           HA       ALA  12   4.748  -4.777   3.425
   86   1HB   ALA  12          1HB       ALA  12   4.165  -6.191   5.473
   87   2HB   ALA  12          2HB       ALA  12   5.646  -5.243   5.608
   88   3HB   ALA  12          3HB       ALA  12   5.733  -6.972   5.269
   89    H    THR  13           H        THR  13   5.728  -6.007   1.118
   90    HA   THR  13           HA       THR  13   8.655  -5.764   1.529
   91    HB   THR  13           HB       THR  13   8.016  -8.157   1.879
   92    HG1  THR  13           1HG      THR  13   9.999  -8.028   1.075
   93   1HG2  THR  13          1HG2      THR  13   6.220  -7.674  -0.187
   94   2HG2  THR  13          2HG2      THR  13   6.605  -9.254   0.494
   95   3HG2  THR  13          3HG2      THR  13   7.452  -8.685  -0.943
   96    H    GLN  14           H        GLN  14   7.581  -3.781   0.308
   97    HA   GLN  14           HA       GLN  14   8.010  -4.256  -2.609
   98   1HB   GLN  14          2HB       GLN  14   6.009  -2.863  -3.069
   99   2HB   GLN  14          1HB       GLN  14   5.593  -4.301  -2.138
  100   1HG   GLN  14          2HG       GLN  14   6.020  -2.674  -0.077
  101   2HG   GLN  14          1HG       GLN  14   5.655  -1.435  -1.275
  102   1HE2  GLN  14          1HE2      GLN  14   3.461  -1.180  -1.921
  103   2HE2  GLN  14          2HE2      GLN  14   2.197  -2.153  -1.340
  104    H    LYS  15           H        LYS  15   8.338  -2.087  -3.772
  105    HA   LYS  15           HA       LYS  15  10.159  -0.422  -2.161
  106   1HB   LYS  15          2HB       LYS  15   9.763  -1.182  -4.915
  107   2HB   LYS  15          1HB       LYS  15   9.856   0.575  -4.800
  108   1HG   LYS  15          2HG       LYS  15  11.868  -1.347  -3.592
  109   2HG   LYS  15          1HG       LYS  15  12.098  -0.461  -5.100
  110   1HD   LYS  15          2HD       LYS  15  11.298   1.447  -3.157
  111   2HD   LYS  15          1HD       LYS  15  12.538   0.447  -2.402
  112   1HE   LYS  15          2HE       LYS  15  14.077   0.874  -4.256
  113   2HE   LYS  15          1HE       LYS  15  12.824   1.792  -5.115
  114   1HZ   LYS  15          1HZ       LYS  15  14.276   3.260  -3.826
  115   2HZ   LYS  15          2HZ       LYS  15  13.865   2.428  -2.402
  116   3HZ   LYS  15          3HZ       LYS  15  12.682   3.308  -3.247
  117    H    ILE  16           H        ILE  16   7.014  -0.352  -2.099
  118    HA   ILE  16           HA       ILE  16   6.861   2.596  -1.880
  119    HB   ILE  16           HB       ILE  16   6.265   1.874  -4.196
  120   1HG1  ILE  16          2HG1      ILE  16   3.943   2.995  -4.162
  121   2HG1  ILE  16          1HG1      ILE  16   4.162   3.113  -2.416
  122   1HG2  ILE  16          1HG2      ILE  16   5.127  -0.297  -3.131
  123   2HG2  ILE  16          2HG2      ILE  16   4.613   0.357  -4.684
  124   3HG2  ILE  16          3HG2      ILE  16   3.694   0.725  -3.225
  125   1HD1  ILE  16          1HD1      ILE  16   5.787   4.411  -4.600
  126   2HD1  ILE  16          2HD1      ILE  16   6.449   4.197  -2.980
  127   3HD1  ILE  16          3HD1      ILE  16   4.996   5.169  -3.220
  128    HA   PRO  17           HA       PRO  17   4.778   0.653   1.651
  129   1HB   PRO  17          2HB       PRO  17   5.183   2.752   3.353
  130   2HB   PRO  17          1HB       PRO  17   6.419   1.523   3.024
  131   1HG   PRO  17          2HG       PRO  17   6.158   4.281   1.949
  132   2HG   PRO  17          1HG       PRO  17   7.611   3.374   2.396
  133   1HD   PRO  17          2HD       PRO  17   6.751   3.731  -0.181
  134   2HD   PRO  17          1HD       PRO  17   7.767   2.375   0.354
  135    H    CYS  18           H        CYS  18   2.627   0.867   2.216
  136    HA   CYS  18           HA       CYS  18   0.881   2.715   0.880
  137   1HB   CYS  18          2HB       CYS  18   0.017   0.618   1.610
  138   2HB   CYS  18          1HB       CYS  18   0.673   0.822   3.233
  139    H    CYS  19           H        CYS  19  -0.108   4.641   1.672
  140    HA   CYS  19           HA       CYS  19   1.330   6.346   3.428
  141   1HB   CYS  19          2HB       CYS  19  -0.943   6.438   1.795
  142   2HB   CYS  19          1HB       CYS  19  -1.557   6.816   3.404
  143    H    GLY  20           H        GLY  20  -1.620   4.415   4.100
  144   1HA   GLY  20          2HA       GLY  20  -1.333   4.908   6.996
  145   2HA   GLY  20          1HA       GLY  20  -2.640   4.006   6.220
  146    H    VAL  21           H        VAL  21  -2.391   1.776   5.881
  147    HA   VAL  21           HA       VAL  21   0.246   0.532   6.501
  148    HB   VAL  21           HB       VAL  21  -2.247  -0.581   7.765
  149   1HG1  VAL  21          1HG1      VAL  21  -0.521  -2.025   8.219
  150   2HG1  VAL  21          2HG1      VAL  21  -0.283  -0.912   9.565
  151   3HG1  VAL  21          3HG1      VAL  21   0.707  -0.762   8.111
  152   1HG2  VAL  21          1HG2      VAL  21  -2.325   1.745   8.485
  153   2HG2  VAL  21          2HG2      VAL  21  -0.603   1.724   8.865
  154   3HG2  VAL  21          3HG2      VAL  21  -1.729   0.768   9.827
  155    H    CYS  22           H        CYS  22  -0.028  -1.967   6.151
  156    HA   CYS  22           HA       CYS  22  -1.553  -2.350   3.605
  157   1HB   CYS  22          2HB       CYS  22   0.954  -2.597   3.679
  158   2HB   CYS  22          1HB       CYS  22   0.740  -3.945   4.796
  159    H    SER  23           H        SER  23  -3.485  -3.360   3.967
  160    HA   SER  23           HA       SER  23  -3.735  -5.318   6.207
  161   1HB   SER  23          2HB       SER  23  -5.267  -3.268   5.718
  162   2HB   SER  23          1HB       SER  23  -5.928  -4.263   4.426
  163    HG   SER  23           HG       SER  23  -5.939  -4.698   7.214
  164    H    HIS  24           H        HIS  24  -6.132  -6.393   4.584
  165    HA   HIS  24           HA       HIS  24  -4.794  -8.684   3.436
  166   1HB   HIS  24          2HB       HIS  24  -7.614  -7.597   3.489
  167   2HB   HIS  24          1HB       HIS  24  -7.224  -9.081   2.622
  168    HD1  HIS  24           1HD      HIS  24  -9.001  -8.909   5.275
  169    HD2  HIS  24           2HD      HIS  24  -4.989 -10.027   5.097
  170    HE1  HIS  24           1HE      HIS  24  -8.552 -10.296   7.345
  171    H    ASN  25           H        ASN  25  -3.353  -7.487   1.912
  172    HA   ASN  25           HA       ASN  25  -2.744  -6.844  -0.262
  173   1HB   ASN  25          2HB       ASN  25  -4.593  -8.865  -0.425
  174   2HB   ASN  25          1HB       ASN  25  -5.358  -7.616  -1.410
  175   1HD2  ASN  25          1HD2      ASN  25  -3.663  -6.499  -3.008
  176   2HD2  ASN  25          2HD2      ASN  25  -2.607  -7.566  -3.800
  177    H    LYS  26           H        LYS  26  -3.663  -4.736   1.283
  178    HA   LYS  26           HA       LYS  26  -4.715  -2.921  -0.772
  179   1HB   LYS  26          2HB       LYS  26  -6.659  -2.293   0.813
  180   2HB   LYS  26          1HB       LYS  26  -6.810  -3.800  -0.090
  181   1HG   LYS  26          2HG       LYS  26  -6.163  -5.106   1.815
  182   2HG   LYS  26          1HG       LYS  26  -5.678  -3.668   2.713
  183   1HD   LYS  26          2HD       LYS  26  -8.486  -3.746   1.723
  184   2HD   LYS  26          1HD       LYS  26  -8.081  -4.836   3.051
  185   1HE   LYS  26          2HE       LYS  26  -7.376  -3.023   4.453
  186   2HE   LYS  26          1HE       LYS  26  -7.389  -1.882   3.094
  187   1HZ   LYS  26          1HZ       LYS  26  -9.424  -1.740   4.448
  188   2HZ   LYS  26          2HZ       LYS  26  -9.766  -3.366   4.095
  189   3HZ   LYS  26          3HZ       LYS  26  -9.751  -2.207   2.850
  190    H    CYS  27           H        CYS  27  -4.713  -0.652  -0.003
  191    HA   CYS  27           HA       CYS  27  -2.724  -0.224   2.194
  192   1HB   CYS  27          2HB       CYS  27  -1.993   0.569   0.048
  193   2HB   CYS  27          1HB       CYS  27  -3.556   1.305  -0.286
  194    H    THR  28           H        THR  28  -3.765   0.305   4.086
  195    HA   THR  28           HA       THR  28  -6.355   1.745   4.022
  196    HB   THR  28           HB       THR  28  -6.236   1.249   6.493
  197    HG1  THR  28           1HG      THR  28  -4.473   0.407   7.315
  198   1HG2  THR  28          1HG2      THR  28  -5.607  -1.382   5.403
  199   2HG2  THR  28          2HG2      THR  28  -6.683  -0.466   4.346
  200   3HG2  THR  28          3HG2      THR  28  -7.138  -0.762   6.023
  Start of MODEL   19
    1   1H    LYS   1          1HT       LYS   1   5.930  10.496   0.223
    2   2H    LYS   1          2HT       LYS   1   4.341  11.091   0.290
    3   3H    LYS   1          3HT       LYS   1   5.489  11.844  -0.709
    4    HA   LYS   1           HA       LYS   1   4.008  10.490  -2.053
    5   1HB   LYS   1          2HB       LYS   1   6.515  10.817  -2.435
    6   2HB   LYS   1          1HB       LYS   1   6.736   9.205  -1.756
    7   1HG   LYS   1          2HG       LYS   1   5.114   8.337  -3.479
    8   2HG   LYS   1          1HG       LYS   1   5.130   9.939  -4.219
    9   1HD   LYS   1          2HD       LYS   1   7.283   9.712  -5.005
   10   2HD   LYS   1          1HD       LYS   1   7.771   8.662  -3.675
   11   1HE   LYS   1          2HE       LYS   1   7.686   7.160  -5.492
   12   2HE   LYS   1          1HE       LYS   1   6.074   6.958  -4.775
   13   1HZ   LYS   1          1HZ       LYS   1   5.970   7.389  -7.179
   14   2HZ   LYS   1          2HZ       LYS   1   6.745   8.883  -6.944
   15   3HZ   LYS   1          3HZ       LYS   1   5.203   8.608  -6.285
   16    H    CYS   2           H        CYS   2   2.384   9.140  -1.248
   17    HA   CYS   2           HA       CYS   2   3.223   6.399  -0.419
   18   1HB   CYS   2          2HB       CYS   2   1.605   6.545   1.475
   19   2HB   CYS   2          1HB       CYS   2   2.924   7.699   1.629
   20    H    LEU   3           H        LEU   3   1.244   4.908  -0.384
   21    HA   LEU   3           HA       LEU   3  -0.351   5.376  -2.823
   22   1HB   LEU   3          2HB       LEU   3  -0.267   3.068  -0.849
   23   2HB   LEU   3          1HB       LEU   3  -0.989   3.025  -2.456
   24    HG   LEU   3           HG       LEU   3   1.753   3.987  -2.573
   25   1HD1  LEU   3          1HD1      LEU   3   1.285   1.936  -0.654
   26   2HD1  LEU   3          2HD1      LEU   3   2.835   2.530  -1.245
   27   3HD1  LEU   3          3HD1      LEU   3   2.045   1.179  -2.054
   28   1HD2  LEU   3          1HD2      LEU   3   0.356   1.547  -3.718
   29   2HD2  LEU   3          2HD2      LEU   3   1.911   2.182  -4.254
   30   3HD2  LEU   3          3HD2      LEU   3   0.443   3.133  -4.486
   31    HA   PRO   4           HA       PRO   4  -3.816   6.972  -0.541
   32   1HB   PRO   4          2HB       PRO   4  -5.714   6.658  -2.500
   33   2HB   PRO   4          1HB       PRO   4  -4.508   7.960  -2.512
   34   1HG   PRO   4          2HG       PRO   4  -4.498   5.363  -3.980
   35   2HG   PRO   4          1HG       PRO   4  -4.050   6.981  -4.549
   36   1HD   PRO   4          2HD       PRO   4  -2.204   5.149  -3.840
   37   2HD   PRO   4          1HD       PRO   4  -1.959   6.892  -3.581
   38    HA   PRO   5           HA       PRO   5  -6.083   3.562   1.035
   39   1HB   PRO   5          2HB       PRO   5  -8.664   4.461   1.211
   40   2HB   PRO   5          1HB       PRO   5  -7.368   5.007   2.292
   41   1HG   PRO   5          2HG       PRO   5  -8.513   6.346  -0.110
   42   2HG   PRO   5          1HG       PRO   5  -8.021   7.042   1.444
   43   1HD   PRO   5          2HD       PRO   5  -6.492   7.199  -0.791
   44   2HD   PRO   5          1HD       PRO   5  -5.806   7.147   0.847
   45    H    GLY   6           H        GLY   6  -6.602   1.680  -0.027
   46   1HA   GLY   6          2HA       GLY   6  -8.270   0.407  -1.309
   47   2HA   GLY   6          1HA       GLY   6  -8.540   1.840  -2.297
   48    H    LYS   7           H        LYS   7  -5.220   1.508  -1.723
   49    HA   LYS   7           HA       LYS   7  -4.783   0.572  -4.496
   50   1HB   LYS   7          2HB       LYS   7  -3.233   1.898  -2.301
   51   2HB   LYS   7          1HB       LYS   7  -2.327   1.036  -3.543
   52   1HG   LYS   7          2HG       LYS   7  -4.347   2.569  -4.854
   53   2HG   LYS   7          1HG       LYS   7  -3.524   3.628  -3.708
   54   1HD   LYS   7          2HD       LYS   7  -1.955   3.843  -5.336
   55   2HD   LYS   7          1HD       LYS   7  -1.416   2.249  -4.810
   56   1HE   LYS   7          2HE       LYS   7  -3.156   1.300  -6.471
   57   2HE   LYS   7          1HE       LYS   7  -3.202   2.937  -7.153
   58   1HZ   LYS   7          1HZ       LYS   7  -0.717   2.835  -7.206
   59   2HZ   LYS   7          2HZ       LYS   7  -1.487   1.768  -8.282
   60   3HZ   LYS   7          3HZ       LYS   7  -0.825   1.186  -6.828
   61    HA   PRO   8           HA       PRO   8  -3.827  -3.564  -3.329
   62   1HB   PRO   8          2HB       PRO   8  -2.002  -4.233  -5.265
   63   2HB   PRO   8          1HB       PRO   8  -3.741  -4.078  -5.581
   64   1HG   PRO   8          2HG       PRO   8  -1.541  -2.148  -6.125
   65   2HG   PRO   8          1HG       PRO   8  -2.957  -2.551  -7.109
   66   1HD   PRO   8          2HD       PRO   8  -2.792  -0.305  -5.583
   67   2HD   PRO   8          1HD       PRO   8  -4.328  -1.118  -5.959
   68    H    CYS   9           H        CYS   9  -2.425  -4.469  -1.852
   69    HA   CYS   9           HA       CYS   9   0.331  -3.305  -1.601
   70   1HB   CYS   9          2HB       CYS   9  -0.974  -2.465   0.205
   71   2HB   CYS   9          1HB       CYS   9  -1.790  -4.010   0.436
   72    H    TYR  10           H        TYR  10   1.991  -4.821  -1.106
   73    HA   TYR  10           HA       TYR  10   1.250  -7.689  -1.510
   74   1HB   TYR  10          2HB       TYR  10   3.763  -6.035  -1.830
   75   2HB   TYR  10          1HB       TYR  10   3.804  -7.794  -1.884
   76    HD1  TYR  10           1HD      TYR  10   4.731  -6.393  -4.223
   77    HD2  TYR  10           2HD      TYR  10   0.694  -7.374  -3.120
   78    HE1  TYR  10           1HE      TYR  10   4.061  -6.328  -6.607
   79    HE2  TYR  10           2HE      TYR  10   0.028  -7.309  -5.503
   80    HH   TYR  10           HH       TYR  10   1.552  -5.857  -7.800
   81    H    GLY  11           H        GLY  11   2.807  -9.231  -0.262
   82   1HA   GLY  11          2HA       GLY  11   2.450  -8.781   2.573
   83   2HA   GLY  11          1HA       GLY  11   3.315 -10.136   1.849
   84    H    ALA  12           H        ALA  12   5.564 -10.051   1.740
   85    HA   ALA  12           HA       ALA  12   6.845  -7.684   3.055
   86   1HB   ALA  12          1HB       ALA  12   7.106  -9.843   4.167
   87   2HB   ALA  12          2HB       ALA  12   8.664  -9.352   3.500
   88   3HB   ALA  12          3HB       ALA  12   7.695 -10.575   2.674
   89    H    THR  13           H        THR  13   6.139  -7.702   0.173
   90    HA   THR  13           HA       THR  13   8.889  -7.303  -0.927
   91    HB   THR  13           HB       THR  13   6.621  -8.752  -2.338
   92    HG1  THR  13           1HG      THR  13   7.375 -10.517  -1.502
   93   1HG2  THR  13          1HG2      THR  13   9.094  -9.393  -3.476
   94   2HG2  THR  13          2HG2      THR  13   9.188  -7.660  -3.172
   95   3HG2  THR  13          3HG2      THR  13   7.878  -8.312  -4.157
   96    H    GLN  14           H        GLN  14   8.193  -5.012  -0.482
   97    HA   GLN  14           HA       GLN  14   6.980  -3.812  -2.869
   98   1HB   GLN  14          2HB       GLN  14   5.035  -4.578  -1.524
   99   2HB   GLN  14          1HB       GLN  14   5.621  -3.635  -0.155
  100   1HG   GLN  14          2HG       GLN  14   5.181  -1.588  -1.207
  101   2HG   GLN  14          1HG       GLN  14   5.165  -2.307  -2.815
  102   1HE2  GLN  14          1HE2      GLN  14   3.167  -1.369  -0.166
  103   2HE2  GLN  14          2HE2      GLN  14   1.724  -2.072  -0.719
  104    H    LYS  15           H        LYS  15   8.378  -2.104  -3.180
  105    HA   LYS  15           HA       LYS  15   9.716  -0.840  -0.863
  106   1HB   LYS  15          2HB       LYS  15  10.771  -1.589  -3.097
  107   2HB   LYS  15          1HB       LYS  15  10.014  -0.156  -3.790
  108   1HG   LYS  15          2HG       LYS  15  11.615   1.178  -2.937
  109   2HG   LYS  15          1HG       LYS  15  11.361   0.523  -1.319
  110   1HD   LYS  15          2HD       LYS  15  13.498  -0.243  -1.610
  111   2HD   LYS  15          1HD       LYS  15  12.674  -1.557  -2.448
  112   1HE   LYS  15          2HE       LYS  15  13.169  -0.668  -4.585
  113   2HE   LYS  15          1HE       LYS  15  13.513   0.944  -3.929
  114   1HZ   LYS  15          1HZ       LYS  15  15.559  -0.295  -4.399
  115   2HZ   LYS  15          2HZ       LYS  15  15.071  -1.518  -3.327
  116   3HZ   LYS  15          3HZ       LYS  15  15.403   0.044  -2.745
  117    H    ILE  16           H        ILE  16   6.754  -0.400  -1.640
  118    HA   ILE  16           HA       ILE  16   6.869   2.587  -1.589
  119    HB   ILE  16           HB       ILE  16   6.298   1.675  -3.838
  120   1HG1  ILE  16          2HG1      ILE  16   3.905   2.807  -3.881
  121   2HG1  ILE  16          1HG1      ILE  16   4.320   3.259  -2.229
  122   1HG2  ILE  16          1HG2      ILE  16   3.618   0.771  -3.013
  123   2HG2  ILE  16          2HG2      ILE  16   4.933  -0.271  -2.478
  124   3HG2  ILE  16          3HG2      ILE  16   4.730   0.078  -4.192
  125   1HD1  ILE  16          1HD1      ILE  16   6.063   3.811  -4.647
  126   2HD1  ILE  16          2HD1      ILE  16   6.364   4.350  -2.995
  127   3HD1  ILE  16          3HD1      ILE  16   4.992   4.992  -3.897
  128    HA   PRO  17           HA       PRO  17   4.526   1.354   2.068
  129   1HB   PRO  17          2HB       PRO  17   4.792   3.754   3.353
  130   2HB   PRO  17          1HB       PRO  17   6.066   2.520   3.335
  131   1HG   PRO  17          2HG       PRO  17   5.817   5.004   1.720
  132   2HG   PRO  17          1HG       PRO  17   7.256   4.260   2.432
  133   1HD   PRO  17          2HD       PRO  17   6.589   4.059  -0.210
  134   2HD   PRO  17          1HD       PRO  17   7.564   2.855   0.659
  135    H    CYS  18           H        CYS  18   2.361   1.733   2.616
  136    HA   CYS  18           HA       CYS  18   0.726   3.320   0.783
  137   1HB   CYS  18          2HB       CYS  18  -0.021   1.981   3.407
  138   2HB   CYS  18          1HB       CYS  18  -1.100   2.356   2.066
  139    H    CYS  19           H        CYS  19  -0.691   5.112   1.532
  140    HA   CYS  19           HA       CYS  19   0.623   7.138   3.040
  141   1HB   CYS  19          2HB       CYS  19  -2.281   6.617   2.339
  142   2HB   CYS  19          1HB       CYS  19  -1.733   8.120   3.078
  143    H    GLY  20           H        GLY  20  -1.571   4.552   4.044
  144   1HA   GLY  20          2HA       GLY  20  -1.275   5.454   6.881
  145   2HA   GLY  20          1HA       GLY  20  -2.673   4.555   6.283
  146    H    VAL  21           H        VAL  21  -2.484   2.306   5.951
  147    HA   VAL  21           HA       VAL  21   0.148   1.014   6.531
  148    HB   VAL  21           HB       VAL  21  -2.360   0.022   7.870
  149   1HG1  VAL  21          1HG1      VAL  21  -0.732  -1.496   8.368
  150   2HG1  VAL  21          2HG1      VAL  21  -0.305  -0.319   9.610
  151   3HG1  VAL  21          3HG1      VAL  21   0.573  -0.345   8.080
  152   1HG2  VAL  21          1HG2      VAL  21  -0.592   2.290   8.840
  153   2HG2  VAL  21          2HG2      VAL  21  -1.669   1.380   9.896
  154   3HG2  VAL  21          3HG2      VAL  21  -2.335   2.337   8.574
  155    H    CYS  22           H        CYS  22  -0.269  -1.519   6.305
  156    HA   CYS  22           HA       CYS  22  -1.766  -1.904   3.744
  157   1HB   CYS  22          2HB       CYS  22   0.719  -2.919   4.984
  158   2HB   CYS  22          1HB       CYS  22  -0.228  -4.143   4.140
  159    H    SER  23           H        SER  23  -3.771  -2.834   4.005
  160    HA   SER  23           HA       SER  23  -4.065  -4.994   6.072
  161   1HB   SER  23          2HB       SER  23  -6.302  -3.986   6.566
  162   2HB   SER  23          1HB       SER  23  -4.971  -2.899   6.945
  163    HG   SER  23           HG       SER  23  -6.942  -2.718   5.023
  164    H    HIS  24           H        HIS  24  -4.923  -6.828   5.187
  165    HA   HIS  24           HA       HIS  24  -5.907  -8.282   3.609
  166   1HB   HIS  24          2HB       HIS  24  -7.779  -6.771   4.596
  167   2HB   HIS  24          1HB       HIS  24  -7.742  -5.950   3.036
  168    HD1  HIS  24           1HD      HIS  24  -9.080  -7.004   1.203
  169    HD2  HIS  24           2HD      HIS  24  -8.290  -9.703   4.279
  170    HE1  HIS  24           1HE      HIS  24 -10.346  -9.123   0.638
  171    H    ASN  25           H        ASN  25  -3.652  -7.186   2.529
  172    HA   ASN  25           HA       ASN  25  -2.581  -6.675   0.491
  173   1HB   ASN  25          2HB       ASN  25  -4.325  -8.648   0.077
  174   2HB   ASN  25          1HB       ASN  25  -5.122  -7.430  -0.921
  175   1HD2  ASN  25          1HD2      ASN  25  -2.252  -9.466  -0.642
  176   2HD2  ASN  25          2HD2      ASN  25  -1.617  -9.096  -2.174
  177    H    LYS  26           H        LYS  26  -3.934  -4.476   1.802
  178    HA   LYS  26           HA       LYS  26  -4.514  -2.780  -0.585
  179   1HB   LYS  26          2HB       LYS  26  -6.589  -3.766   0.578
  180   2HB   LYS  26          1HB       LYS  26  -6.191  -2.698   1.925
  181   1HG   LYS  26          2HG       LYS  26  -7.026  -0.913   0.849
  182   2HG   LYS  26          1HG       LYS  26  -6.067  -1.264  -0.587
  183   1HD   LYS  26          2HD       LYS  26  -8.661  -2.673   0.105
  184   2HD   LYS  26          1HD       LYS  26  -8.543  -1.309  -1.008
  185   1HE   LYS  26          2HE       LYS  26  -6.967  -2.611  -2.426
  186   2HE   LYS  26          1HE       LYS  26  -7.149  -3.993  -1.329
  187   1HZ   LYS  26          1HZ       LYS  26  -9.551  -3.905  -1.694
  188   2HZ   LYS  26          2HZ       LYS  26  -8.720  -4.163  -3.153
  189   3HZ   LYS  26          3HZ       LYS  26  -9.350  -2.628  -2.792
  190    H    CYS  27           H        CYS  27  -4.336  -0.449  -0.089
  191    HA   CYS  27           HA       CYS  27  -2.397   0.102   2.134
  192   1HB   CYS  27          2HB       CYS  27  -3.001   1.254  -0.584
  193   2HB   CYS  27          1HB       CYS  27  -2.157   2.234   0.610
  194    H    THR  28           H        THR  28  -3.653   0.802   3.907
  195    HA   THR  28           HA       THR  28  -6.044   2.483   3.432
  196    HB   THR  28           HB       THR  28  -6.142   2.288   5.978
  197    HG1  THR  28           1HG      THR  28  -4.549   1.352   6.972
  198   1HG2  THR  28          1HG2      THR  28  -6.655  -0.170   5.893
  199   2HG2  THR  28          2HG2      THR  28  -5.984  -0.201   4.262
  200   3HG2  THR  28          3HG2      THR  28  -7.419   0.765   4.608
  Start of MODEL   20
    1   1H    LYS   1          1HT       LYS   1   6.919   9.899  -0.823
    2   2H    LYS   1          2HT       LYS   1   6.663  11.425  -1.524
    3   3H    LYS   1          3HT       LYS   1   6.466  10.018  -2.454
    4    HA   LYS   1           HA       LYS   1   4.764  10.850  -0.156
    5   1HB   LYS   1          2HB       LYS   1   4.870  11.729  -2.781
    6   2HB   LYS   1          1HB       LYS   1   3.642  10.464  -2.847
    7   1HG   LYS   1          2HG       LYS   1   3.215  12.010  -0.473
    8   2HG   LYS   1          1HG       LYS   1   3.371  13.118  -1.838
    9   1HD   LYS   1          2HD       LYS   1   1.706  10.703  -2.310
   10   2HD   LYS   1          1HD       LYS   1   1.042  11.892  -1.190
   11   1HE   LYS   1          2HE       LYS   1   2.186  12.830  -3.815
   12   2HE   LYS   1          1HE       LYS   1   0.543  12.160  -3.759
   13   1HZ   LYS   1          1HZ       LYS   1   1.602  14.364  -2.064
   14   2HZ   LYS   1          2HZ       LYS   1   0.059  13.674  -1.905
   15   3HZ   LYS   1          3HZ       LYS   1   0.471  14.523  -3.317
   16    H    CYS   2           H        CYS   2   2.700   9.450  -0.228
   17    HA   CYS   2           HA       CYS   2   3.431   6.603  -0.850
   18   1HB   CYS   2          2HB       CYS   2   1.887   6.127   1.118
   19   2HB   CYS   2          1HB       CYS   2   3.385   6.953   1.525
   20    H    LEU   3           H        LEU   3   1.341   5.216  -1.027
   21    HA   LEU   3           HA       LEU   3  -0.372   6.430  -3.088
   22   1HB   LEU   3          2HB       LEU   3  -0.417   3.678  -1.808
   23   2HB   LEU   3          1HB       LEU   3  -1.170   4.132  -3.335
   24    HG   LEU   3           HG       LEU   3   1.483   4.944  -3.630
   25   1HD1  LEU   3          1HD1      LEU   3   2.899   3.370  -2.721
   26   2HD1  LEU   3          2HD1      LEU   3   1.677   2.101  -2.752
   27   3HD1  LEU   3          3HD1      LEU   3   1.639   3.330  -1.490
   28   1HD2  LEU   3          1HD2      LEU   3  -0.191   3.729  -5.193
   29   2HD2  LEU   3          2HD2      LEU   3   0.454   2.241  -4.501
   30   3HD2  LEU   3          3HD2      LEU   3   1.520   3.341  -5.373
   31    HA   PRO   4           HA       PRO   4  -3.768   7.453  -0.482
   32   1HB   PRO   4          2HB       PRO   4  -5.857   7.038  -2.212
   33   2HB   PRO   4          1HB       PRO   4  -4.765   8.432  -2.323
   34   1HG   PRO   4          2HG       PRO   4  -4.751   5.891  -3.879
   35   2HG   PRO   4          1HG       PRO   4  -4.472   7.550  -4.430
   36   1HD   PRO   4          2HD       PRO   4  -2.452   5.804  -3.996
   37   2HD   PRO   4          1HD       PRO   4  -2.277   7.554  -3.740
   38    HA   PRO   5           HA       PRO   5  -5.552   3.823   1.219
   39   1HB   PRO   5          2HB       PRO   5  -8.141   4.532   1.769
   40   2HB   PRO   5          1HB       PRO   5  -6.753   5.124   2.701
   41   1HG   PRO   5          2HG       PRO   5  -8.287   6.473   0.532
   42   2HG   PRO   5          1HG       PRO   5  -7.641   7.140   2.041
   43   1HD   PRO   5          2HD       PRO   5  -6.434   7.494  -0.361
   44   2HD   PRO   5          1HD       PRO   5  -5.534   7.421   1.173
   45    H    GLY   6           H        GLY   6  -6.062   1.974   0.113
   46   1HA   GLY   6          2HA       GLY   6  -8.059   0.800  -0.968
   47   2HA   GLY   6          1HA       GLY   6  -8.066   2.151  -2.100
   48    H    LYS   7           H        LYS   7  -5.004   2.163  -2.010
   49    HA   LYS   7           HA       LYS   7  -4.523   0.561  -4.336
   50   1HB   LYS   7          2HB       LYS   7  -3.070   2.291  -2.458
   51   2HB   LYS   7          1HB       LYS   7  -2.063   1.002  -3.116
   52   1HG   LYS   7          2HG       LYS   7  -1.837   2.754  -4.687
   53   2HG   LYS   7          1HG       LYS   7  -3.033   1.682  -5.416
   54   1HD   LYS   7          2HD       LYS   7  -4.183   3.710  -3.615
   55   2HD   LYS   7          1HD       LYS   7  -3.383   4.383  -5.035
   56   1HE   LYS   7          2HE       LYS   7  -4.906   3.455  -6.505
   57   2HE   LYS   7          1HE       LYS   7  -5.189   2.038  -5.475
   58   1HZ   LYS   7          1HZ       LYS   7  -6.300   3.497  -3.870
   59   2HZ   LYS   7          2HZ       LYS   7  -7.087   3.514  -5.376
   60   3HZ   LYS   7          3HZ       LYS   7  -6.096   4.816  -4.918
   61    HA   PRO   8           HA       PRO   8  -4.017  -3.360  -2.324
   62   1HB   PRO   8          2HB       PRO   8  -2.998  -4.748  -4.452
   63   2HB   PRO   8          1HB       PRO   8  -4.714  -4.318  -4.305
   64   1HG   PRO   8          2HG       PRO   8  -2.583  -3.068  -5.948
   65   2HG   PRO   8          1HG       PRO   8  -4.302  -3.291  -6.303
   66   1HD   PRO   8          2HD       PRO   8  -3.171  -0.917  -5.483
   67   2HD   PRO   8          1HD       PRO   8  -4.888  -1.334  -5.303
   68    H    CYS   9           H        CYS   9  -2.341  -4.201  -1.108
   69    HA   CYS   9           HA       CYS   9   0.452  -3.380  -1.827
   70   1HB   CYS   9          2HB       CYS   9   0.833  -3.742   0.649
   71   2HB   CYS   9          1HB       CYS   9  -0.312  -2.459   0.273
   72    H    TYR  10           H        TYR  10   1.774  -5.012  -2.499
   73    HA   TYR  10           HA       TYR  10   0.884  -7.808  -2.374
   74   1HB   TYR  10          2HB       TYR  10   3.328  -6.373  -3.459
   75   2HB   TYR  10          1HB       TYR  10   3.068  -8.107  -3.640
   76    HD1  TYR  10           1HD      TYR  10   0.595  -8.735  -4.511
   77    HD2  TYR  10           2HD      TYR  10   2.600  -4.995  -5.191
   78    HE1  TYR  10           1HE      TYR  10  -0.863  -8.307  -6.471
   79    HE2  TYR  10           2HE      TYR  10   1.141  -4.570  -7.149
   80    HH   TYR  10           HH       TYR  10  -1.518  -5.657  -7.732
   81    H    GLY  11           H        GLY  11   0.950  -8.215  -0.061
   82   1HA   GLY  11          2HA       GLY  11   2.005  -9.161   1.816
   83   2HA   GLY  11          1HA       GLY  11   3.504  -9.198   0.888
   84    H    ALA  12           H        ALA  12   4.619  -8.444   2.827
   85    HA   ALA  12           HA       ALA  12   4.186  -5.523   3.387
   86   1HB   ALA  12          1HB       ALA  12   3.652  -7.075   5.245
   87   2HB   ALA  12          2HB       ALA  12   5.044  -6.065   5.641
   88   3HB   ALA  12          3HB       ALA  12   5.283  -7.743   5.148
   89    H    THR  13           H        THR  13   5.922  -6.779   1.275
   90    HA   THR  13           HA       THR  13   8.484  -5.489   2.088
   91    HB   THR  13           HB       THR  13   8.206  -8.276   0.899
   92    HG1  THR  13           1HG      THR  13   8.305  -8.968   2.876
   93   1HG2  THR  13          1HG2      THR  13  10.313  -7.811   0.196
   94   2HG2  THR  13          2HG2      THR  13  10.753  -8.023   1.891
   95   3HG2  THR  13          3HG2      THR  13  10.454  -6.407   1.254
   96    H    GLN  14           H        GLN  14   7.907  -3.812   0.564
   97    HA   GLN  14           HA       GLN  14   8.455  -4.531  -2.263
   98   1HB   GLN  14          2HB       GLN  14   6.388  -3.463  -3.022
   99   2HB   GLN  14          1HB       GLN  14   5.999  -4.743  -1.875
  100   1HG   GLN  14          2HG       GLN  14   6.433  -2.335  -0.389
  101   2HG   GLN  14          1HG       GLN  14   5.335  -1.963  -1.715
  102   1HE2  GLN  14          1HE2      GLN  14   4.036  -1.767   0.595
  103   2HE2  GLN  14          2HE2      GLN  14   3.115  -3.144   0.963
  104    H    LYS  15           H        LYS  15   8.650  -2.472  -3.609
  105    HA   LYS  15           HA       LYS  15  10.154  -0.451  -2.057
  106   1HB   LYS  15          2HB       LYS  15  11.011   0.176  -4.216
  107   2HB   LYS  15          1HB       LYS  15  10.909  -1.584  -4.218
  108   1HG   LYS  15          2HG       LYS  15   8.572  -1.275  -5.266
  109   2HG   LYS  15          1HG       LYS  15   9.061   0.395  -5.557
  110   1HD   LYS  15          2HD       LYS  15  10.215  -0.243  -7.376
  111   2HD   LYS  15          1HD       LYS  15  11.199  -1.320  -6.385
  112   1HE   LYS  15          2HE       LYS  15   8.440  -2.242  -7.101
  113   2HE   LYS  15          1HE       LYS  15   9.689  -2.293  -8.360
  114   1HZ   LYS  15          1HZ       LYS  15  11.145  -3.470  -6.846
  115   2HZ   LYS  15          2HZ       LYS  15   9.686  -4.324  -7.013
  116   3HZ   LYS  15          3HZ       LYS  15   9.979  -3.405  -5.616
  117    H    ILE  16           H        ILE  16   7.094  -0.688  -2.069
  118    HA   ILE  16           HA       ILE  16   6.559   2.173  -2.761
  119    HB   ILE  16           HB       ILE  16   5.471  -0.299  -3.875
  120   1HG1  ILE  16          2HG1      ILE  16   6.395   1.644  -5.136
  121   2HG1  ILE  16          1HG1      ILE  16   4.763   1.218  -5.648
  122   1HG2  ILE  16          1HG2      ILE  16   3.518  -0.176  -2.614
  123   2HG2  ILE  16          2HG2      ILE  16   3.095   0.827  -4.001
  124   3HG2  ILE  16          3HG2      ILE  16   3.588   1.580  -2.485
  125   1HD1  ILE  16          1HD1      ILE  16   5.334   3.734  -5.197
  126   2HD1  ILE  16          2HD1      ILE  16   5.166   3.289  -3.500
  127   3HD1  ILE  16          3HD1      ILE  16   3.806   3.087  -4.605
  128    HA   PRO  17           HA       PRO  17   5.132   1.632   1.485
  129   1HB   PRO  17          2HB       PRO  17   5.568   4.220   2.236
  130   2HB   PRO  17          1HB       PRO  17   6.861   3.009   2.162
  131   1HG   PRO  17          2HG       PRO  17   6.292   5.257   0.355
  132   2HG   PRO  17          1HG       PRO  17   7.816   4.424   0.680
  133   1HD   PRO  17          2HD       PRO  17   6.126   4.083  -1.561
  134   2HD   PRO  17          1HD       PRO  17   7.556   3.122  -1.140
  135    H    CYS  18           H        CYS  18   2.974   1.792   2.032
  136    HA   CYS  18           HA       CYS  18   1.211   3.591   0.470
  137   1HB   CYS  18          2HB       CYS  18   0.971   1.185   2.232
  138   2HB   CYS  18          1HB       CYS  18  -0.442   2.231   2.088
  139    H    CYS  19           H        CYS  19  -0.121   5.200   1.473
  140    HA   CYS  19           HA       CYS  19   0.988   6.744   3.569
  141   1HB   CYS  19          2HB       CYS  19  -1.877   6.466   2.600
  142   2HB   CYS  19          1HB       CYS  19  -1.291   7.793   3.600
  143    H    GLY  20           H        GLY  20  -1.592   4.266   3.718
  144   1HA   GLY  20          2HA       GLY  20  -1.584   4.430   6.682
  145   2HA   GLY  20          1HA       GLY  20  -2.739   3.523   5.703
  146    H    VAL  21           H        VAL  21  -2.466   1.350   5.916
  147    HA   VAL  21           HA       VAL  21   0.319   0.263   5.925
  148    HB   VAL  21           HB       VAL  21  -1.745  -0.958   7.722
  149   1HG1  VAL  21          1HG1      VAL  21   0.257  -2.152   7.747
  150   2HG1  VAL  21          2HG1      VAL  21   0.470  -1.078   9.129
  151   3HG1  VAL  21          3HG1      VAL  21   1.244  -0.699   7.589
  152   1HG2  VAL  21          1HG2      VAL  21  -1.959   1.387   8.340
  153   2HG2  VAL  21          2HG2      VAL  21  -0.205   1.583   8.357
  154   3HG2  VAL  21          3HG2      VAL  21  -0.993   0.579   9.574
  155    H    CYS  22           H        CYS  22   0.157  -2.244   5.677
  156    HA   CYS  22           HA       CYS  22  -1.654  -2.799   3.404
  157   1HB   CYS  22          2HB       CYS  22   0.778  -3.332   3.379
  158   2HB   CYS  22          1HB       CYS  22   0.533  -4.441   4.729
  159    H    SER  23           H        SER  23  -3.669  -3.557   3.891
  160    HA   SER  23           HA       SER  23  -3.940  -5.628   6.047
  161   1HB   SER  23          2HB       SER  23  -6.141  -4.448   6.551
  162   2HB   SER  23          1HB       SER  23  -4.698  -3.523   6.956
  163    HG   SER  23           HG       SER  23  -6.578  -3.150   4.923
  164    H    HIS  24           H        HIS  24  -4.732  -7.466   5.084
  165    HA   HIS  24           HA       HIS  24  -5.867  -8.869   3.555
  166   1HB   HIS  24          2HB       HIS  24  -7.616  -6.420   3.852
  167   2HB   HIS  24          1HB       HIS  24  -8.103  -7.743   2.801
  168    HD1  HIS  24           1HD      HIS  24  -6.212  -8.993   5.673
  169    HD2  HIS  24           2HD      HIS  24 -10.197  -8.028   4.910
  170    HE1  HIS  24           1HE      HIS  24  -7.578 -10.079   7.506
  171    H    ASN  25           H        ASN  25  -3.701  -7.448   2.456
  172    HA   ASN  25           HA       ASN  25  -2.761  -6.864   0.381
  173   1HB   ASN  25          2HB       ASN  25  -4.903  -8.704  -0.037
  174   2HB   ASN  25          1HB       ASN  25  -4.975  -7.511  -1.335
  175   1HD2  ASN  25          1HD2      ASN  25  -3.462 -10.396  -0.423
  176   2HD2  ASN  25          2HD2      ASN  25  -2.125 -10.321  -1.467
  177    H    LYS  26           H        LYS  26  -4.307  -4.844   1.878
  178    HA   LYS  26           HA       LYS  26  -4.993  -3.022  -0.404
  179   1HB   LYS  26          2HB       LYS  26  -6.555  -3.335   2.184
  180   2HB   LYS  26          1HB       LYS  26  -6.964  -2.269   0.843
  181   1HG   LYS  26          2HG       LYS  26  -6.612  -5.054   0.008
  182   2HG   LYS  26          1HG       LYS  26  -7.901  -4.849   1.189
  183   1HD   LYS  26          2HD       LYS  26  -8.841  -4.566  -1.033
  184   2HD   LYS  26          1HD       LYS  26  -8.828  -2.998  -0.224
  185   1HE   LYS  26          2HE       LYS  26  -7.218  -2.134  -1.633
  186   2HE   LYS  26          1HE       LYS  26  -6.406  -3.699  -1.830
  187   1HZ   LYS  26          1HZ       LYS  26  -7.655  -3.019  -3.830
  188   2HZ   LYS  26          2HZ       LYS  26  -9.092  -3.043  -2.925
  189   3HZ   LYS  26          3HZ       LYS  26  -8.217  -4.480  -3.177
  190    H    CYS  27           H        CYS  27  -4.932  -0.698   0.312
  191    HA   CYS  27           HA       CYS  27  -2.997  -0.291   2.571
  192   1HB   CYS  27          2HB       CYS  27  -3.383   1.016  -0.123
  193   2HB   CYS  27          1HB       CYS  27  -2.472   1.815   1.156
  194    H    THR  28           H        THR  28  -4.146   0.526   4.293
  195    HA   THR  28           HA       THR  28  -6.553   2.187   3.819
  196    HB   THR  28           HB       THR  28  -6.673   1.950   6.354
  197    HG1  THR  28           1HG      THR  28  -5.150   0.831   7.356
  198   1HG2  THR  28          1HG2      THR  28  -6.562  -0.396   4.467
  199   2HG2  THR  28          2HG2      THR  28  -7.977   0.410   5.142
  200   3HG2  THR  28          3HG2      THR  28  -6.982  -0.623   6.165