NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing in_recoord stage position program type
1329 1ahl 5 cing recoord 1-original 3 MR format nomenclature mapping


  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  333 H/Q atoms
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1  -4.033   7.694   7.460
    2   2H    GLY   1          3H        GLY   1  -5.550   7.097   6.984
    3   3H    GLY   1          2H        GLY   1  -5.024   6.903   8.593
    4   1HA   GLY   1          2HA       GLY   1  -4.039   4.975   8.083
    5   2HA   GLY   1          1HA       GLY   1  -4.577   5.175   6.399
    6    H    VAL   2           H        VAL   2  -2.098   4.101   6.521
    7    HA   VAL   2           HA       VAL   2  -0.233   6.377   6.172
    8    HB   VAL   2           HB       VAL   2   1.448   4.314   6.544
    9   1HG1  VAL   2          3HG1      VAL   2  -0.140   5.648   8.813
   10   2HG1  VAL   2          2HG1      VAL   2   1.442   4.901   8.982
   11   3HG1  VAL   2          1HG1      VAL   2   1.256   6.348   8.012
   12   1HG2  VAL   2          3HG2      VAL   2  -0.345   2.566   6.730
   13   2HG2  VAL   2          2HG2      VAL   2   0.601   2.690   8.196
   14   3HG2  VAL   2          1HG2      VAL   2  -1.001   3.387   8.145
   15    H    SER   3           H        SER   3   0.104   6.812   4.182
   16    HA   SER   3           HA       SER   3  -0.226   4.857   2.028
   17   1HB   SER   3          2HB       SER   3   0.401   7.816   1.827
   18   2HB   SER   3          1HB       SER   3  -0.227   6.753   0.564
   19    HG   SER   3           HG       SER   3  -2.079   6.953   1.318
   20    H    CYS   4           H        CYS   4   1.360   4.998   0.229
   21    HA   CYS   4           HA       CYS   4   4.091   5.758   0.782
   22   1HB   CYS   4          2HB       CYS   4   5.002   3.441   0.597
   23   2HB   CYS   4          1HB       CYS   4   4.120   3.709   2.065
   24    H    LEU   5           H        LEU   5   5.424   5.384  -1.120
   25    HA   LEU   5           HA       LEU   5   4.058   5.943  -3.492
   26   1HB   LEU   5          2HB       LEU   5   6.916   5.148  -2.867
   27   2HB   LEU   5          1HB       LEU   5   6.365   5.417  -4.494
   28    HG   LEU   5           HG       LEU   5   5.562   7.710  -3.801
   29   1HD1  LEU   5          2HD1      LEU   5   7.237   7.140  -1.308
   30   2HD1  LEU   5          1HD1      LEU   5   6.558   8.696  -1.774
   31   3HD1  LEU   5          3HD1      LEU   5   5.492   7.378  -1.352
   32   1HD2  LEU   5          2HD2      LEU   5   8.540   7.101  -3.567
   33   2HD2  LEU   5          1HD2      LEU   5   7.642   7.386  -5.051
   34   3HD2  LEU   5          3HD2      LEU   5   7.855   8.687  -3.898
   35    H    CYS   6           H        CYS   6   3.196   4.722  -4.973
   36    HA   CYS   6           HA       CYS   6   3.456   1.791  -4.791
   37   1HB   CYS   6          2HB       CYS   6   1.604   3.626  -6.272
   38   2HB   CYS   6          1HB       CYS   6   1.627   1.907  -6.594
   39    H    ASP   7           H        ASP   7   3.602   0.737  -7.105
   40    HA   ASP   7           HA       ASP   7   6.082   1.433  -8.315
   41   1HB   ASP   7          2HB       ASP   7   3.754  -0.298  -9.317
   42   2HB   ASP   7          1HB       ASP   7   5.300  -0.198 -10.127
   43    H    SER   8           H        SER   8   3.077   2.731  -8.592
   44    HA   SER   8           HA       SER   8   3.500   3.983 -11.254
   45   1HB   SER   8          2HB       SER   8   1.209   2.962 -10.725
   46   2HB   SER   8          1HB       SER   8   1.014   4.174  -9.452
   47    HG   SER   8           HG       SER   8   1.629   5.697 -11.247
   48    H    ASP   9           H        ASP   9   4.405   4.730  -8.137
   49    HA   ASP   9           HA       ASP   9   3.931   7.644  -8.537
   50   1HB   ASP   9          2HB       ASP   9   4.759   6.124  -5.993
   51   2HB   ASP   9          1HB       ASP   9   4.648   7.851  -6.140
   52    H    GLY  10           H        GLY  10   5.738   9.027  -8.041
   53   1HA   GLY  10          2HA       GLY  10   8.189   9.118  -7.563
   54   2HA   GLY  10          1HA       GLY  10   8.371   7.815  -8.751
   55    HA   PRO  11           HA       PRO  11   8.459  10.874 -11.903
   56   1HB   PRO  11          2HB       PRO  11   7.181   9.784 -14.040
   57   2HB   PRO  11          1HB       PRO  11   8.672   9.080 -13.403
   58   1HG   PRO  11          2HG       PRO  11   5.796   8.224 -12.782
   59   2HG   PRO  11          1HG       PRO  11   7.152   7.201 -13.271
   60   1HD   PRO  11          2HD       PRO  11   6.447   7.532 -10.657
   61   2HD   PRO  11          1HD       PRO  11   8.148   7.284 -11.099
   62    H    SER  12           H        SER  12   7.144  12.377 -13.324
   63    HA   SER  12           HA       SER  12   4.755  13.171 -11.796
   64   1HB   SER  12          2HB       SER  12   4.888  15.110 -13.466
   65   2HB   SER  12          1HB       SER  12   6.207  14.907 -12.277
   66    HG   SER  12           HG       SER  12   6.017  13.950 -14.948
   67    H    VAL  13           H        VAL  13   3.492  11.725 -12.278
   68    HA   VAL  13           HA       VAL  13   2.133  11.682 -14.937
   69    HB   VAL  13           HB       VAL  13   3.432   9.617 -14.833
   70   1HG1  VAL  13          1HG1      VAL  13   2.223   9.143 -12.053
   71   2HG1  VAL  13          3HG1      VAL  13   3.263   8.020 -12.909
   72   3HG1  VAL  13          2HG1      VAL  13   3.890   9.564 -12.385
   73   1HG2  VAL  13          2HG2      VAL  13   1.115   9.240 -15.665
   74   2HG2  VAL  13          1HG2      VAL  13   1.719   7.833 -14.811
   75   3HG2  VAL  13          3HG2      VAL  13   0.575   8.893 -14.022
   76    H    ARG  14           H        ARG  14  -0.122  11.081 -14.828
   77    HA   ARG  14           HA       ARG  14  -1.545  12.452 -12.798
   78   1HB   ARG  14          2HB       ARG  14  -3.576  11.079 -13.697
   79   2HB   ARG  14          1HB       ARG  14  -2.741  12.117 -14.840
   80   1HG   ARG  14          2HG       ARG  14  -1.461  10.232 -15.707
   81   2HG   ARG  14          1HG       ARG  14  -2.072   9.190 -14.443
   82   1HD   ARG  14          2HD       ARG  14  -4.025  10.537 -16.348
   83   2HD   ARG  14          1HD       ARG  14  -3.149   9.117 -16.895
   84    HE   ARG  14           HE       ARG  14  -5.050   9.171 -14.568
   85   1HH1  ARG  14          2HH1      ARG  14  -2.781   7.265 -14.483
   86   2HH1  ARG  14          1HH1      ARG  14  -3.416   5.815 -15.157
   87   1HH2  ARG  14          1HH2      ARG  14  -6.160   7.635 -16.539
   88   2HH2  ARG  14          2HH2      ARG  14  -5.519   6.045 -16.418
   89    H    GLY  15           H        GLY  15  -2.316  11.890 -10.921
   90   1HA   GLY  15          2HA       GLY  15  -3.202  10.431  -9.198
   91   2HA   GLY  15          1HA       GLY  15  -2.400   9.066  -9.986
   92    H    ASN  16           H        ASN  16  -0.312  11.516 -10.001
   93    HA   ASN  16           HA       ASN  16   1.600  10.387  -8.338
   94   1HB   ASN  16          2HB       ASN  16   2.855  12.458  -8.556
   95   2HB   ASN  16          1HB       ASN  16   1.908  12.351 -10.014
   96   1HD2  ASN  16          2HD2      ASN  16   0.788  15.193  -7.406
   97   2HD2  ASN  16          1HD2      ASN  16   1.628  13.901  -6.713
   98    H    THR  17           H        THR  17   2.573  11.145  -6.573
   99    HA   THR  17           HA       THR  17   2.870  12.155  -4.431
  100    HB   THR  17           HB       THR  17  -0.255  12.086  -4.147
  101    HG1  THR  17           HG1      THR  17  -0.052  13.606  -5.518
  102   1HG2  THR  17          3HG2      THR  17   1.901  13.852  -2.829
  103   2HG2  THR  17          2HG2      THR  17   0.191  13.852  -2.448
  104   3HG2  THR  17          1HG2      THR  17   1.184  12.492  -1.979
  105    H    LEU  18           H        LEU  18   2.247  10.751  -2.213
  106    HA   LEU  18           HA       LEU  18   2.475   7.936  -3.157
  107   1HB   LEU  18          2HB       LEU  18   3.247   7.472  -0.986
  108   2HB   LEU  18          1HB       LEU  18   4.004   8.968  -1.466
  109    HG   LEU  18           HG       LEU  18   1.716   8.567   0.427
  110   1HD1  LEU  18          3HD1      LEU  18   4.559   9.573   0.824
  111   2HD1  LEU  18          2HD1      LEU  18   3.351   9.500   2.100
  112   3HD1  LEU  18          1HD1      LEU  18   3.916   8.023   1.345
  113   1HD2  LEU  18          1HD2      LEU  18   2.923  11.251  -0.369
  114   2HD2  LEU  18          3HD2      LEU  18   1.264  10.702  -0.674
  115   3HD2  LEU  18          2HD2      LEU  18   1.803  11.000   0.953
  116    H    SER  19           H        SER  19   0.563   7.695  -3.948
  117    HA   SER  19           HA       SER  19  -1.886   7.979  -2.321
  118   1HB   SER  19          2HB       SER  19  -1.798   8.647  -4.761
  119   2HB   SER  19          1HB       SER  19  -1.693   6.940  -5.187
  120    HG   SER  19           HG       SER  19  -3.599   6.736  -3.694
  121    H    GLY  20           H        GLY  20   0.229   5.269  -2.517
  122   1HA   GLY  20          2HA       GLY  20  -1.929   3.370  -2.515
  123   2HA   GLY  20          1HA       GLY  20  -0.233   2.983  -2.274
  124    H    THR  21           H        THR  21  -0.943   1.611  -0.395
  125    HA   THR  21           HA       THR  21  -0.931   3.127   2.040
  126    HB   THR  21           HB       THR  21  -2.810   0.814   1.839
  127    HG1  THR  21           HG1      THR  21  -3.123   3.384   0.826
  128   1HG2  THR  21          2HG2      THR  21  -2.770   3.243   3.670
  129   2HG2  THR  21          1HG2      THR  21  -3.903   1.902   3.774
  130   3HG2  THR  21          3HG2      THR  21  -2.201   1.640   4.112
  131    H    LEU  22           H        LEU  22   0.178   2.191   3.361
  132    HA   LEU  22           HA       LEU  22   1.519  -0.339   2.660
  133   1HB   LEU  22          2HB       LEU  22   3.000   1.323   3.089
  134   2HB   LEU  22          1HB       LEU  22   2.154   1.995   4.465
  135    HG   LEU  22           HG       LEU  22   3.099  -0.836   4.862
  136   1HD1  LEU  22          2HD1      LEU  22   4.881   0.001   3.342
  137   2HD1  LEU  22          1HD1      LEU  22   5.170   1.354   4.421
  138   3HD1  LEU  22          3HD1      LEU  22   5.480  -0.293   4.969
  139   1HD2  LEU  22          2HD2      LEU  22   3.628   1.769   6.322
  140   2HD2  LEU  22          1HD2      LEU  22   2.299   0.664   6.650
  141   3HD2  LEU  22          3HD2      LEU  22   3.965   0.157   6.919
  142    H    TRP  23           H        TRP  23   1.545  -2.018   3.828
  143    HA   TRP  23           HA       TRP  23  -0.343  -2.259   6.123
  144   1HB   TRP  23          2HB       TRP  23   0.125  -4.038   3.677
  145   2HB   TRP  23          1HB       TRP  23  -0.586  -4.738   5.133
  146    HD1  TRP  23           HD1      TRP  23  -1.555  -2.424   2.148
  147    HE1  TRP  23           HE1      TRP  23  -3.915  -1.726   2.563
  148    HE3  TRP  23           HE3      TRP  23  -2.167  -4.204   6.813
  149    HZ2  TRP  23           HZ2      TRP  23  -5.920  -1.811   4.607
  150    HZ3  TRP  23           HZ3      TRP  23  -4.318  -3.828   8.004
  151    HH2  TRP  23           HH2      TRP  23  -6.185  -2.666   6.906
  152    H    LEU  24           H        LEU  24   0.505  -3.106   7.863
  153    HA   LEU  24           HA       LEU  24   3.382  -3.650   7.948
  154   1HB   LEU  24          2HB       LEU  24   1.608  -3.877  10.379
  155   2HB   LEU  24          1HB       LEU  24   3.241  -3.274  10.252
  156    HG   LEU  24           HG       LEU  24   0.792  -1.854   9.168
  157   1HD1  LEU  24          1HD1      LEU  24   0.851  -1.821  11.650
  158   2HD1  LEU  24          3HD1      LEU  24   2.496  -1.208  11.618
  159   3HD1  LEU  24          2HD1      LEU  24   1.175  -0.216  11.026
  160   1HD2  LEU  24          1HD2      LEU  24   2.808  -1.306   7.880
  161   2HD2  LEU  24          3HD2      LEU  24   2.294   0.078   8.830
  162   3HD2  LEU  24          2HD2      LEU  24   3.660  -0.889   9.353
  163    H    TYR  25           H        TYR  25   0.575  -5.142   7.622
  164    HA   TYR  25           HA       TYR  25   0.671  -7.603   8.964
  165   1HB   TYR  25          2HB       TYR  25  -0.518  -6.802   6.272
  166   2HB   TYR  25          1HB       TYR  25  -0.903  -8.304   6.995
  167    HD1  TYR  25           HD1      TYR  25  -0.542  -5.788   9.610
  168    HD2  TYR  25           HD2      TYR  25  -3.228  -7.431   6.718
  169    HE1  TYR  25           HE1      TYR  25  -2.439  -4.882  10.836
  170    HE2  TYR  25           HE2      TYR  25  -5.109  -6.519   7.962
  171    HH   TYR  25           HH       TYR  25  -5.747  -5.465   9.903
  172    HA   PRO  26           HA       PRO  26   4.092  -9.489   7.465
  173   1HB   PRO  26          2HB       PRO  26   3.601 -12.183   7.698
  174   2HB   PRO  26          1HB       PRO  26   3.702 -11.128   9.114
  175   1HG   PRO  26          2HG       PRO  26   1.179 -11.977   7.575
  176   2HG   PRO  26          1HG       PRO  26   1.467 -12.090   9.310
  177   1HD   PRO  26          2HD       PRO  26   0.111  -9.958   8.311
  178   2HD   PRO  26          1HD       PRO  26   1.293  -9.707   9.617
  179    H    SER  27           H        SER  27   1.437  -9.728   5.647
  180    HA   SER  27           HA       SER  27   2.993 -10.658   3.263
  181   1HB   SER  27          2HB       SER  27   0.891 -11.788   2.502
  182   2HB   SER  27          1HB       SER  27   1.580 -12.510   3.961
  183    HG   SER  27           HG       SER  27  -0.818 -11.250   3.705
  184    H    GLY  28           H        GLY  28   1.988  -8.087   4.506
  185   1HA   GLY  28          2HA       GLY  28   1.360  -6.012   3.671
  186   2HA   GLY  28          1HA       GLY  28   1.608  -6.704   2.092
  187    H    CYS  29           H        CYS  29   0.111  -6.728   0.906
  188    HA   CYS  29           HA       CYS  29  -2.259  -5.551   1.189
  189   1HB   CYS  29          2HB       CYS  29  -1.059  -6.518  -0.913
  190   2HB   CYS  29          1HB       CYS  29  -2.211  -7.831  -0.717
  191    HA   PRO  30           HA       PRO  30  -4.725  -8.650   3.344
  192   1HB   PRO  30          2HB       PRO  30  -6.659  -6.942   4.268
  193   2HB   PRO  30          1HB       PRO  30  -5.062  -7.074   5.006
  194   1HG   PRO  30          2HG       PRO  30  -6.076  -4.847   3.220
  195   2HG   PRO  30          1HG       PRO  30  -4.898  -4.836   4.510
  196   1HD   PRO  30          2HD       PRO  30  -4.401  -5.029   1.707
  197   2HD   PRO  30          1HD       PRO  30  -3.202  -5.151   3.026
  198    H    SER  31           H        SER  31  -6.624  -9.544   2.901
  199    HA   SER  31           HA       SER  31  -7.459  -9.572   0.232
  200   1HB   SER  31          2HB       SER  31  -7.640 -11.651   1.848
  201   2HB   SER  31          1HB       SER  31  -9.001 -10.828   2.628
  202    HG   SER  31           HG       SER  31 -10.175 -11.584   1.037
  203    H    GLY  32           H        GLY  32  -8.420  -8.131  -0.588
  204   1HA   GLY  32          2HA       GLY  32 -10.781  -7.116  -0.824
  205   2HA   GLY  32          1HA       GLY  32 -10.434  -6.457   0.789
  206    H    TRP  33           H        TRP  33  -7.454  -6.694  -0.616
  207    HA   TRP  33           HA       TRP  33  -7.623  -3.968  -1.694
  208   1HB   TRP  33          2HB       TRP  33  -5.476  -5.523  -0.088
  209   2HB   TRP  33          1HB       TRP  33  -5.010  -4.108  -0.983
  210    HD1  TRP  33           HD1      TRP  33  -7.997  -4.865   1.500
  211    HE1  TRP  33           HE1      TRP  33  -8.177  -2.724   2.821
  212    HE3  TRP  33           HE3      TRP  33  -4.213  -2.219  -0.519
  213    HZ2  TRP  33           HZ2      TRP  33  -6.897  -0.116   3.053
  214    HZ3  TRP  33           HZ3      TRP  33  -3.713   0.042   0.194
  215    HH2  TRP  33           HH2      TRP  33  -5.030   1.108   1.950
  216    H    HIS  34           H        HIS  34  -4.976  -4.368  -2.839
  217    HA   HIS  34           HA       HIS  34  -5.524  -6.371  -4.841
  218   1HB   HIS  34          2HB       HIS  34  -6.493  -4.228  -5.639
  219   2HB   HIS  34          1HB       HIS  34  -4.945  -3.443  -5.497
  220    HD1  HIS  34           HD1      HIS  34  -5.612  -3.105  -8.178
  221    HD2  HIS  34           HD2      HIS  34  -4.356  -6.832  -7.114
  222    HE1  HIS  34           HE1      HIS  34  -4.922  -4.240 -10.278
  223    H    ASN  35           H        ASN  35  -3.248  -3.962  -4.471
  224    HA   ASN  35           HA       ASN  35  -0.853  -4.632  -3.613
  225   1HB   ASN  35          2HB       ASN  35   0.458  -5.881  -5.113
  226   2HB   ASN  35          1HB       ASN  35  -0.982  -6.834  -4.825
  227   1HD2  ASN  35          2HD2      ASN  35  -2.052  -6.599  -8.216
  228   2HD2  ASN  35          1HD2      ASN  35  -2.446  -7.118  -6.647
  229    H    CYS  36           H        CYS  36   0.797  -3.175  -4.305
  230    HA   CYS  36           HA       CYS  36   0.463  -1.821  -6.915
  231   1HB   CYS  36          2HB       CYS  36   0.020   0.320  -6.121
  232   2HB   CYS  36          1HB       CYS  36  -0.925  -0.622  -5.002
  233    H    LYS  37           H        LYS  37   2.408  -3.143  -4.649
  234    HA   LYS  37           HA       LYS  37   4.757  -1.909  -5.820
  235   1HB   LYS  37          2HB       LYS  37   3.965  -2.140  -2.942
  236   2HB   LYS  37          1HB       LYS  37   5.637  -1.952  -3.213
  237   1HG   LYS  37          2HG       LYS  37   3.485  -0.030  -4.149
  238   2HG   LYS  37          1HG       LYS  37   4.572   0.307  -2.831
  239   1HD   LYS  37          2HD       LYS  37   5.519  -0.127  -5.701
  240   2HD   LYS  37          1HD       LYS  37   5.414   1.415  -4.945
  241   1HE   LYS  37          2HE       LYS  37   7.188  -0.775  -3.921
  242   2HE   LYS  37          1HE       LYS  37   7.670   0.649  -4.827
  243   1HZ   LYS  37          1HZ       LYS  37   6.019   1.560  -2.785
  244   2HZ   LYS  37          3HZ       LYS  37   7.086   0.450  -2.062
  245   3HZ   LYS  37          2HZ       LYS  37   7.679   1.792  -2.928
  246    H    ALA  38           H        ALA  38   5.547  -3.541  -6.834
  247    HA   ALA  38           HA       ALA  38   5.252  -6.277  -5.895
  248   1HB   ALA  38          2HB       ALA  38   5.605  -5.752  -8.346
  249   2HB   ALA  38          1HB       ALA  38   7.212  -5.149  -7.962
  250   3HB   ALA  38          3HB       ALA  38   6.849  -6.857  -7.769
  251    H    HIS  39           H        HIS  39   7.289  -3.892  -5.038
  252    HA   HIS  39           HA       HIS  39   8.940  -5.770  -3.433
  253   1HB   HIS  39          2HB       HIS  39  10.064  -3.681  -5.372
  254   2HB   HIS  39          1HB       HIS  39  11.034  -4.406  -4.093
  255    HD1  HIS  39           HD1      HIS  39   9.922  -7.285  -4.374
  256    HD2  HIS  39           HD2      HIS  39  11.200  -5.028  -7.534
  257    HE1  HIS  39           HE1      HIS  39  10.555  -8.868  -6.160
  258    H    GLY  40           H        GLY  40  10.366  -2.741  -3.378
  259   1HA   GLY  40          2HA       GLY  40  10.453  -2.202  -0.787
  260   2HA   GLY  40          1HA       GLY  40  10.196  -0.896  -1.915
  261    HA   PRO  41           HA       PRO  41  10.283  -1.051   1.192
  262   1HB   PRO  41          2HB       PRO  41   9.312  -1.696   3.621
  263   2HB   PRO  41          1HB       PRO  41   8.914  -0.167   2.833
  264   1HG   PRO  41          2HG       PRO  41   7.333  -2.778   2.708
  265   2HG   PRO  41          1HG       PRO  41   6.745  -1.222   3.303
  266   1HD   PRO  41          2HD       PRO  41   6.314  -1.987   0.715
  267   2HD   PRO  41          1HD       PRO  41   6.737  -0.299   1.067
  268    H    THR  42           H        THR  42  11.200  -2.545   3.076
  269    HA   THR  42           HA       THR  42  11.297  -5.353   2.029
  270    HB   THR  42           HB       THR  42  13.391  -4.186   1.360
  271    HG1  THR  42           HG1      THR  42  13.453  -6.044   3.406
  272   1HG2  THR  42          2HG2      THR  42  13.714  -3.437   4.309
  273   2HG2  THR  42          1HG2      THR  42  14.855  -3.096   3.027
  274   3HG2  THR  42          3HG2      THR  42  13.306  -2.282   3.045
  275    H    ILE  43           H        ILE  43   9.863  -3.862   4.215
  276    HA   ILE  43           HA       ILE  43  10.436  -5.782   6.440
  277    HB   ILE  43           HB       ILE  43   9.899  -2.745   6.711
  278   1HG1  ILE  43          2HG1      ILE  43  12.325  -4.397   7.553
  279   2HG1  ILE  43          1HG1      ILE  43  12.255  -3.424   6.103
  280   1HG2  ILE  43          3HG2      ILE  43   8.711  -4.074   8.499
  281   2HG2  ILE  43          2HG2      ILE  43  10.225  -4.854   8.906
  282   3HG2  ILE  43          1HG2      ILE  43  10.018  -3.134   9.176
  283   1HD1  ILE  43          1HD1      ILE  43  11.866  -1.374   7.476
  284   2HD1  ILE  43          3HD1      ILE  43  11.965  -2.339   8.938
  285   3HD1  ILE  43          2HD1      ILE  43  13.366  -2.172   7.905
  286    H    GLY  44           H        GLY  44   8.132  -3.145   5.977
  287   1HA   GLY  44          2HA       GLY  44   5.882  -5.042   6.434
  288   2HA   GLY  44          1HA       GLY  44   5.746  -3.265   6.377
  289    H    TRP  45           H        TRP  45   4.045  -3.514   4.601
  290    HA   TRP  45           HA       TRP  45   5.398  -3.951   1.978
  291   1HB   TRP  45          2HB       TRP  45   2.625  -4.929   2.488
  292   2HB   TRP  45          1HB       TRP  45   3.610  -5.255   1.087
  293    HD1  TRP  45           HD1      TRP  45   3.831  -6.096   4.944
  294    HE1  TRP  45           HE1      TRP  45   4.622  -8.463   5.007
  295    HE3  TRP  45           HE3      TRP  45   4.421  -7.002   0.010
  296    HZ2  TRP  45           HZ2      TRP  45   5.418 -10.601   3.254
  297    HZ3  TRP  45           HZ3      TRP  45   5.196  -9.211  -0.788
  298    HH2  TRP  45           HH2      TRP  45   5.704 -11.003   0.837
  299    H    CYS  46           H        CYS  46   4.039  -3.220   0.233
  300    HA   CYS  46           HA       CYS  46   2.327  -0.879   0.912
  301   1HB   CYS  46          2HB       CYS  46   4.632  -1.195  -0.934
  302   2HB   CYS  46          1HB       CYS  46   3.368  -0.120  -1.421
  303    H    CYS  47           H        CYS  47   0.370  -0.957   0.009
  304    HA   CYS  47           HA       CYS  47  -0.081  -2.362  -2.531
  305   1HB   CYS  47          2HB       CYS  47  -0.569  -3.990  -0.538
  306   2HB   CYS  47          1HB       CYS  47  -1.890  -2.931  -0.096
  307    H    LYS  48           H        LYS  48  -2.763  -2.177  -2.635
  308    HA   LYS  48           HA       LYS  48  -3.705   0.504  -1.912
  309   1HB   LYS  48          2HB       LYS  48  -4.282   1.094  -4.274
  310   2HB   LYS  48          1HB       LYS  48  -2.562   0.805  -4.253
  311   1HG   LYS  48          2HG       LYS  48  -2.852  -1.417  -5.271
  312   2HG   LYS  48          1HG       LYS  48  -4.573  -1.406  -4.992
  313   1HD   LYS  48          2HD       LYS  48  -4.803  -0.711  -7.113
  314   2HD   LYS  48          1HD       LYS  48  -4.383   0.854  -6.504
  315   1HE   LYS  48          2HE       LYS  48  -2.984   0.448  -8.432
  316   2HE   LYS  48          1HE       LYS  48  -1.959   0.371  -7.014
  317   1HZ   LYS  48          1HZ       LYS  48  -2.911  -2.240  -7.389
  318   2HZ   LYS  48          3HZ       LYS  48  -2.424  -1.695  -8.921
  319   3HZ   LYS  48          2HZ       LYS  48  -1.395  -1.706  -7.582
  320    H    GLN  49           H        GLN  49  -6.179   0.377  -2.215
  321    HA   GLN  49           HA       GLN  49  -6.935  -2.199  -1.622
  322   1HB   GLN  49          2HB       GLN  49  -7.890   0.380  -1.128
  323   2HB   GLN  49          1HB       GLN  49  -8.982  -0.142  -2.419
  324   1HG   GLN  49          2HG       GLN  49  -9.155  -2.251  -1.312
  325   2HG   GLN  49          1HG       GLN  49  -8.229  -1.623   0.040
  326   1HE2  GLN  49          2HE2      GLN  49 -11.973  -1.339   0.635
  327   2HE2  GLN  49          1HE2      GLN  49 -11.106  -2.600  -0.112
   
  No H/Q in entry =         327
  Start of MODEL           2
 Raw file had  333 H/Q atoms
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1  -4.017   4.473   6.874
    2   2H    GLY   1          3H        GLY   1  -4.998   3.270   6.195
    3   3H    GLY   1          2H        GLY   1  -4.801   3.356   7.886
    4   1HA   GLY   1          2HA       GLY   1  -3.003   2.015   7.749
    5   2HA   GLY   1          1HA       GLY   1  -3.199   1.988   5.982
    6    H    VAL   2           H        VAL   2  -0.610   2.100   6.365
    7    HA   VAL   2           HA       VAL   2   0.271   4.897   6.858
    8    HB   VAL   2           HB       VAL   2   1.898   2.430   6.034
    9   1HG1  VAL   2          2HG1      VAL   2   2.750   5.005   7.431
   10   2HG1  VAL   2          1HG1      VAL   2   3.809   3.663   7.045
   11   3HG1  VAL   2          3HG1      VAL   2   3.081   4.592   5.756
   12   1HG2  VAL   2          1HG2      VAL   2   1.323   3.363   8.889
   13   2HG2  VAL   2          3HG2      VAL   2   0.752   1.870   8.154
   14   3HG2  VAL   2          2HG2      VAL   2   2.461   2.110   8.442
   15    H    SER   3           H        SER   3   1.311   6.043   5.041
   16    HA   SER   3           HA       SER   3   0.051   5.366   2.498
   17   1HB   SER   3          2HB       SER   3   2.201   7.441   2.999
   18   2HB   SER   3          1HB       SER   3   1.019   7.542   1.729
   19    HG   SER   3           HG       SER   3   0.573   8.733   3.808
   20    H    CYS   4           H        CYS   4   1.294   5.392   0.434
   21    HA   CYS   4           HA       CYS   4   4.079   4.622   0.553
   22   1HB   CYS   4          2HB       CYS   4   3.065   2.424   1.099
   23   2HB   CYS   4          1HB       CYS   4   2.043   2.535  -0.322
   24    H    LEU   5           H        LEU   5   4.994   4.795  -1.430
   25    HA   LEU   5           HA       LEU   5   3.400   6.026  -3.512
   26   1HB   LEU   5          2HB       LEU   5   5.869   6.581  -2.355
   27   2HB   LEU   5          1HB       LEU   5   6.388   5.523  -3.654
   28    HG   LEU   5           HG       LEU   5   4.438   7.679  -4.099
   29   1HD1  LEU   5          3HD1      LEU   5   6.338   8.815  -2.974
   30   2HD1  LEU   5          2HD1      LEU   5   7.479   8.051  -4.074
   31   3HD1  LEU   5          1HD1      LEU   5   6.365   9.276  -4.663
   32   1HD2  LEU   5          1HD2      LEU   5   5.006   6.056  -5.997
   33   2HD2  LEU   5          3HD2      LEU   5   5.513   7.673  -6.448
   34   3HD2  LEU   5          2HD2      LEU   5   6.689   6.496  -5.877
   35    H    CYS   6           H        CYS   6   2.521   4.613  -4.907
   36    HA   CYS   6           HA       CYS   6   3.611   1.882  -5.109
   37   1HB   CYS   6          2HB       CYS   6   1.176   3.264  -6.205
   38   2HB   CYS   6          1HB       CYS   6   1.675   1.766  -6.907
   39    H    ASP   7           H        ASP   7   4.280   1.091  -7.287
   40    HA   ASP   7           HA       ASP   7   5.950   2.993  -8.627
   41   1HB   ASP   7          2HB       ASP   7   4.974   0.196  -9.433
   42   2HB   ASP   7          1HB       ASP   7   6.119   1.118 -10.400
   43    H    SER   8           H        SER   8   2.698   2.394  -8.865
   44    HA   SER   8           HA       SER   8   2.393   3.550 -11.567
   45   1HB   SER   8          2HB       SER   8   0.231   2.706  -9.570
   46   2HB   SER   8          1HB       SER   8   0.026   2.976 -11.310
   47    HG   SER   8           HG       SER   8   1.013   1.124 -11.711
   48    H    ASP   9           H        ASP   9   2.884   4.824  -8.573
   49    HA   ASP   9           HA       ASP   9   1.036   7.106  -8.796
   50   1HB   ASP   9          2HB       ASP   9   3.211   6.465  -6.745
   51   2HB   ASP   9          1HB       ASP   9   2.151   7.853  -6.657
   52    H    GLY  10           H        GLY  10   1.748   8.056 -10.627
   53   1HA   GLY  10          2HA       GLY  10   4.347   8.602 -11.501
   54   2HA   GLY  10          1HA       GLY  10   2.974   9.627 -11.893
   55    HA   PRO  11           HA       PRO  11   5.673  11.139  -8.164
   56   1HB   PRO  11          2HB       PRO  11   8.162  11.920  -9.034
   57   2HB   PRO  11          1HB       PRO  11   7.807  10.252  -8.573
   58   1HG   PRO  11          2HG       PRO  11   7.698  11.497 -11.373
   59   2HG   PRO  11          1HG       PRO  11   8.580  10.050 -10.872
   60   1HD   PRO  11          2HD       PRO  11   6.118   9.802 -12.008
   61   2HD   PRO  11          1HD       PRO  11   6.534   8.760 -10.626
   62    H    SER  12           H        SER  12   6.486  13.287  -7.574
   63    HA   SER  12           HA       SER  12   6.025  15.486  -9.438
   64   1HB   SER  12          2HB       SER  12   4.354  16.459  -7.590
   65   2HB   SER  12          1HB       SER  12   3.727  15.193  -8.655
   66    HG   SER  12           HG       SER  12   3.642  13.906  -6.991
   67    H    VAL  13           H        VAL  13   6.308  17.589  -7.767
   68    HA   VAL  13           HA       VAL  13   8.958  17.108  -6.559
   69    HB   VAL  13           HB       VAL  13   9.049  19.636  -6.477
   70   1HG1  VAL  13          2HG1      VAL  13   9.678  18.506  -8.581
   71   2HG1  VAL  13          1HG1      VAL  13   8.023  18.586  -9.147
   72   3HG1  VAL  13          3HG1      VAL  13   8.937  20.060  -8.904
   73   1HG2  VAL  13          2HG2      VAL  13   6.192  19.542  -7.595
   74   2HG2  VAL  13          1HG2      VAL  13   6.619  20.072  -5.981
   75   3HG2  VAL  13          3HG2      VAL  13   7.165  20.983  -7.373
   76    H    ARG  14           H        ARG  14   8.763  19.204  -4.619
   77    HA   ARG  14           HA       ARG  14   7.853  17.650  -2.419
   78   1HB   ARG  14          2HB       ARG  14   8.983  20.390  -2.816
   79   2HB   ARG  14          1HB       ARG  14   7.855  20.356  -1.493
   80   1HG   ARG  14          2HG       ARG  14  10.198  18.417  -1.783
   81   2HG   ARG  14          1HG       ARG  14  10.234  19.879  -0.813
   82   1HD   ARG  14          2HD       ARG  14   8.297  19.041   0.547
   83   2HD   ARG  14          1HD       ARG  14   8.258  17.560  -0.393
   84    HE   ARG  14           HE       ARG  14  10.866  18.109   0.845
   85   1HH1  ARG  14          2HH1      ARG  14  10.042  15.440   0.206
   86   2HH1  ARG  14          1HH1      ARG  14   9.488  14.754   1.683
   87   1HH2  ARG  14          1HH2      ARG  14   9.164  18.009   3.108
   88   2HH2  ARG  14          2HH2      ARG  14   8.922  16.343   3.464
   89    H    GLY  15           H        GLY  15   6.016  17.443  -1.468
   90   1HA   GLY  15          2HA       GLY  15   3.832  18.274  -0.681
   91   2HA   GLY  15          1HA       GLY  15   3.716  19.229  -2.166
   92    H    ASN  16           H        ASN  16   4.952  16.009  -2.102
   93    HA   ASN  16           HA       ASN  16   3.147  15.074  -4.116
   94   1HB   ASN  16          2HB       ASN  16   4.321  12.885  -3.752
   95   2HB   ASN  16          1HB       ASN  16   5.483  14.200  -3.808
   96   1HD2  ASN  16          2HD2      ASN  16   5.140  12.023  -0.484
   97   2HD2  ASN  16          1HD2      ASN  16   4.284  11.656  -1.899
   98    H    THR  17           H        THR  17   2.098  12.911  -3.819
   99    HA   THR  17           HA       THR  17   0.418  12.749  -1.415
  100    HB   THR  17           HB       THR  17  -1.368  12.040  -3.304
  101    HG1  THR  17           HG1      THR  17  -0.460  12.015  -5.227
  102   1HG2  THR  17          3HG2      THR  17  -1.267  14.461  -2.315
  103   2HG2  THR  17          2HG2      THR  17  -0.129  14.851  -3.589
  104   3HG2  THR  17          1HG2      THR  17  -1.777  14.406  -3.989
  105    H    LEU  18           H        LEU  18  -0.708  10.288  -1.721
  106    HA   LEU  18           HA       LEU  18   1.278   8.315  -2.661
  107   1HB   LEU  18          2HB       LEU  18   0.118   8.255   0.133
  108   2HB   LEU  18          1HB       LEU  18   1.160   7.036  -0.569
  109    HG   LEU  18           HG       LEU  18   2.546   9.360  -0.872
  110   1HD1  LEU  18          3HD1      LEU  18   1.359   9.548   1.893
  111   2HD1  LEU  18          2HD1      LEU  18   2.749  10.459   1.339
  112   3HD1  LEU  18          1HD1      LEU  18   1.191  10.673   0.572
  113   1HD2  LEU  18          3HD2      LEU  18   3.125   7.245   1.156
  114   2HD2  LEU  18          2HD2      LEU  18   3.703   7.397  -0.484
  115   3HD2  LEU  18          1HD2      LEU  18   4.205   8.547   0.733
  116    H    SER  19           H        SER  19   0.057   7.030  -3.906
  117    HA   SER  19           HA       SER  19  -2.842   6.742  -3.324
  118   1HB   SER  19          2HB       SER  19  -1.356   5.000  -5.327
  119   2HB   SER  19          1HB       SER  19  -3.043   5.519  -5.368
  120    HG   SER  19           HG       SER  19  -0.902   6.723  -6.393
  121    H    GLY  20           H        GLY  20   0.195   4.982  -3.065
  122   1HA   GLY  20          2HA       GLY  20  -0.968   2.505  -2.402
  123   2HA   GLY  20          1HA       GLY  20   0.727   2.961  -2.263
  124    H    THR  21           H        THR  21  -0.593   1.522  -0.424
  125    HA   THR  21           HA       THR  21  -0.295   3.190   1.898
  126    HB   THR  21           HB       THR  21  -2.437   1.085   1.677
  127    HG1  THR  21           HG1      THR  21  -2.402   3.632   0.636
  128   1HG2  THR  21          1HG2      THR  21  -1.924   1.879   3.999
  129   2HG2  THR  21          3HG2      THR  21  -2.332   3.518   3.495
  130   3HG2  THR  21          2HG2      THR  21  -3.571   2.268   3.505
  131    H    LEU  22           H        LEU  22   0.676   2.078   3.283
  132    HA   LEU  22           HA       LEU  22   1.714  -0.602   2.553
  133   1HB   LEU  22          2HB       LEU  22   3.427   0.879   2.812
  134   2HB   LEU  22          1HB       LEU  22   2.823   1.659   4.254
  135    HG   LEU  22           HG       LEU  22   3.444  -1.272   4.590
  136   1HD1  LEU  22          2HD1      LEU  22   5.204  -0.642   2.905
  137   2HD1  LEU  22          1HD1      LEU  22   5.715   0.670   3.950
  138   3HD1  LEU  22          3HD1      LEU  22   5.906  -0.993   4.474
  139   1HD2  LEU  22          2HD2      LEU  22   2.987   0.342   6.445
  140   2HD2  LEU  22          1HD2      LEU  22   4.582  -0.385   6.596
  141   3HD2  LEU  22          3HD2      LEU  22   4.417   1.253   5.995
  142    H    TRP  23           H        TRP  23   1.576  -2.229   3.747
  143    HA   TRP  23           HA       TRP  23  -0.208  -2.148   6.136
  144   1HB   TRP  23          2HB       TRP  23   0.021  -4.088   3.802
  145   2HB   TRP  23          1HB       TRP  23  -0.773  -4.595   5.293
  146    HD1  TRP  23           HD1      TRP  23  -1.336  -2.235   2.223
  147    HE1  TRP  23           HE1      TRP  23  -3.616  -1.242   2.540
  148    HE3  TRP  23           HE3      TRP  23  -2.400  -3.896   6.878
  149    HZ2  TRP  23           HZ2      TRP  23  -5.710  -1.090   4.466
  150    HZ3  TRP  23           HZ3      TRP  23  -4.553  -3.278   7.939
  151    HH2  TRP  23           HH2      TRP  23  -6.202  -1.909   6.749
  152    H    LEU  24           H        LEU  24   0.517  -2.887   7.889
  153    HA   LEU  24           HA       LEU  24   3.264  -3.883   8.130
  154   1HB   LEU  24          2HB       LEU  24   1.403  -3.549  10.499
  155   2HB   LEU  24          1HB       LEU  24   3.127  -3.293  10.405
  156    HG   LEU  24           HG       LEU  24   1.040  -1.558   9.088
  157   1HD1  LEU  24          3HD1      LEU  24   2.786  -1.026  11.545
  158   2HD1  LEU  24          2HD1      LEU  24   1.714   0.153  10.815
  159   3HD1  LEU  24          1HD1      LEU  24   1.048  -1.287  11.559
  160   1HD2  LEU  24          1HD2      LEU  24   4.066  -1.177   9.328
  161   2HD2  LEU  24          3HD2      LEU  24   3.202  -1.558   7.850
  162   3HD2  LEU  24          2HD2      LEU  24   2.959  -0.009   8.635
  163    H    TYR  25           H        TYR  25   0.237  -4.921   7.883
  164    HA   TYR  25           HA       TYR  25   0.070  -7.262   9.500
  165   1HB   TYR  25          2HB       TYR  25  -1.096  -6.657   6.734
  166   2HB   TYR  25          1HB       TYR  25  -1.596  -8.027   7.643
  167    HD1  TYR  25           HD1      TYR  25  -1.041  -5.216   9.899
  168    HD2  TYR  25           HD2      TYR  25  -3.830  -7.038   7.229
  169    HE1  TYR  25           HE1      TYR  25  -2.873  -4.009  10.963
  170    HE2  TYR  25           HE2      TYR  25  -5.651  -5.831   8.305
  171    HH   TYR  25           HH       TYR  25  -6.118  -4.723  10.481
  172    HA   PRO  26           HA       PRO  26   3.439  -9.253   8.014
  173   1HB   PRO  26          2HB       PRO  26   3.039 -11.916   8.539
  174   2HB   PRO  26          1HB       PRO  26   3.182 -10.720   9.830
  175   1HG   PRO  26          2HG       PRO  26   0.607 -11.782   8.535
  176   2HG   PRO  26          1HG       PRO  26   0.992 -11.704  10.256
  177   1HD   PRO  26          2HD       PRO  26  -0.479  -9.720   9.098
  178   2HD   PRO  26          1HD       PRO  26   0.748  -9.305  10.318
  179    H    SER  27           H        SER  27   0.725  -9.700   6.327
  180    HA   SER  27           HA       SER  27   2.180 -11.017   4.054
  181   1HB   SER  27          2HB       SER  27  -0.042 -11.862   3.345
  182   2HB   SER  27          1HB       SER  27   0.417 -12.509   4.933
  183    HG   SER  27           HG       SER  27  -1.563 -10.677   4.310
  184    H    GLY  28           H        GLY  28   1.428  -8.180   5.021
  185   1HA   GLY  28          2HA       GLY  28   1.165  -6.154   3.984
  186   2HA   GLY  28          1HA       GLY  28   1.350  -7.012   2.468
  187    H    CYS  29           H        CYS  29  -0.060  -6.744   1.226
  188    HA   CYS  29           HA       CYS  29  -2.277  -5.280   1.321
  189   1HB   CYS  29          2HB       CYS  29  -1.011  -6.588  -0.645
  190   2HB   CYS  29          1HB       CYS  29  -2.456  -7.559  -0.558
  191    HA   PRO  30           HA       PRO  30  -4.913  -8.132   3.662
  192   1HB   PRO  30          2HB       PRO  30  -6.691  -6.293   4.599
  193   2HB   PRO  30          1HB       PRO  30  -5.076  -6.515   5.280
  194   1HG   PRO  30          2HG       PRO  30  -6.001  -4.318   3.385
  195   2HG   PRO  30          1HG       PRO  30  -4.883  -4.277   4.728
  196   1HD   PRO  30          2HD       PRO  30  -4.220  -4.540   1.994
  197   2HD   PRO  30          1HD       PRO  30  -3.102  -4.889   3.341
  198    H    SER  31           H        SER  31  -6.402  -9.225   2.835
  199    HA   SER  31           HA       SER  31  -7.460  -9.173   0.316
  200   1HB   SER  31          2HB       SER  31  -7.756 -11.127   2.107
  201   2HB   SER  31          1HB       SER  31  -9.198 -10.231   2.632
  202    HG   SER  31           HG       SER  31  -8.888 -11.768   0.458
  203    H    GLY  32           H        GLY  32  -8.367  -7.741  -0.548
  204   1HA   GLY  32          2HA       GLY  32 -10.679  -6.618  -0.856
  205   2HA   GLY  32          1HA       GLY  32 -10.294  -5.885   0.720
  206    H    TRP  33           H        TRP  33  -7.311  -6.312  -0.419
  207    HA   TRP  33           HA       TRP  33  -7.180  -3.745  -1.752
  208   1HB   TRP  33          2HB       TRP  33  -5.313  -5.379   0.098
  209   2HB   TRP  33          1HB       TRP  33  -4.685  -4.046  -0.829
  210    HD1  TRP  33           HD1      TRP  33  -7.798  -4.513   1.543
  211    HE1  TRP  33           HE1      TRP  33  -7.960  -2.270   2.685
  212    HE3  TRP  33           HE3      TRP  33  -3.931  -2.169  -0.570
  213    HZ2  TRP  33           HZ2      TRP  33  -6.609   0.331   2.733
  214    HZ3  TRP  33           HZ3      TRP  33  -3.330   0.151  -0.016
  215    HH2  TRP  33           HH2      TRP  33  -4.654   1.405   1.608
  216    H    HIS  34           H        HIS  34  -4.772  -4.198  -2.873
  217    HA   HIS  34           HA       HIS  34  -5.068  -6.495  -4.605
  218   1HB   HIS  34          2HB       HIS  34  -4.867  -3.595  -5.495
  219   2HB   HIS  34          1HB       HIS  34  -4.697  -4.931  -6.635
  220    HD1  HIS  34           HD1      HIS  34  -7.206  -6.345  -4.895
  221    HD2  HIS  34           HD2      HIS  34  -7.198  -2.861  -7.007
  222    HE1  HIS  34           HE1      HIS  34  -9.556  -5.892  -5.507
  223    H    ASN  35           H        ASN  35  -2.928  -4.394  -5.972
  224    HA   ASN  35           HA       ASN  35  -0.594  -4.889  -4.440
  225   1HB   ASN  35          2HB       ASN  35   0.501  -6.584  -6.096
  226   2HB   ASN  35          1HB       ASN  35  -0.779  -7.239  -5.091
  227   1HD2  ASN  35          2HD2      ASN  35  -1.693  -6.738  -9.039
  228   2HD2  ASN  35          1HD2      ASN  35  -0.638  -5.583  -8.375
  229    H    CYS  36           H        CYS  36   1.088  -3.631  -5.060
  230    HA   CYS  36           HA       CYS  36   1.128  -2.701  -7.912
  231   1HB   CYS  36          2HB       CYS  36   1.298  -0.391  -7.268
  232   2HB   CYS  36          1HB       CYS  36  -0.176  -1.032  -6.610
  233    H    LYS  37           H        LYS  37   2.680  -2.341  -4.790
  234    HA   LYS  37           HA       LYS  37   5.290  -2.072  -6.036
  235   1HB   LYS  37          2HB       LYS  37   4.419  -2.120  -3.139
  236   2HB   LYS  37          1HB       LYS  37   6.044  -1.875  -3.638
  237   1HG   LYS  37          2HG       LYS  37   3.731  -0.008  -4.260
  238   2HG   LYS  37          1HG       LYS  37   5.013   0.303  -3.110
  239   1HD   LYS  37          2HD       LYS  37   5.339   0.094  -6.101
  240   2HD   LYS  37          1HD       LYS  37   5.611   1.507  -5.102
  241   1HE   LYS  37          2HE       LYS  37   7.455   0.283  -3.921
  242   2HE   LYS  37          1HE       LYS  37   7.273  -1.019  -5.093
  243   1HZ   LYS  37          3HZ       LYS  37   7.417   1.461  -6.472
  244   2HZ   LYS  37          2HZ       LYS  37   8.784   1.258  -5.491
  245   3HZ   LYS  37          1HZ       LYS  37   8.259   0.133  -6.682
  246    H    ALA  38           H        ALA  38   4.887  -4.364  -6.884
  247    HA   ALA  38           HA       ALA  38   5.195  -6.570  -5.063
  248   1HB   ALA  38          2HB       ALA  38   4.458  -6.889  -7.460
  249   2HB   ALA  38          1HB       ALA  38   6.053  -6.386  -8.008
  250   3HB   ALA  38          3HB       ALA  38   5.868  -7.879  -7.108
  251    H    HIS  39           H        HIS  39   7.237  -4.163  -5.662
  252    HA   HIS  39           HA       HIS  39   9.747  -5.707  -5.320
  253   1HB   HIS  39          2HB       HIS  39   9.166  -2.847  -6.166
  254   2HB   HIS  39          1HB       HIS  39  10.771  -3.349  -5.654
  255    HD1  HIS  39           HD1      HIS  39  11.683  -3.199  -8.087
  256    HD2  HIS  39           HD2      HIS  39   8.585  -5.848  -7.806
  257    HE1  HIS  39           HE1      HIS  39  11.650  -4.469 -10.197
  258    H    GLY  40           H        GLY  40   7.611  -3.869  -3.305
  259   1HA   GLY  40          2HA       GLY  40   8.382  -4.359  -0.886
  260   2HA   GLY  40          1HA       GLY  40   9.822  -3.479  -1.370
  261    HA   PRO  41           HA       PRO  41  10.537  -1.762  -0.057
  262   1HB   PRO  41          2HB       PRO  41  10.474  -0.842   2.492
  263   2HB   PRO  41          1HB       PRO  41  10.086   0.227   1.137
  264   1HG   PRO  41          2HG       PRO  41   8.107  -1.419   2.826
  265   2HG   PRO  41          1HG       PRO  41   8.106   0.328   2.578
  266   1HD   PRO  41          2HD       PRO  41   6.600  -1.292   0.942
  267   2HD   PRO  41          1HD       PRO  41   7.439   0.116   0.253
  268    H    THR  42           H        THR  42  11.796  -2.570   1.960
  269    HA   THR  42           HA       THR  42  11.140  -5.395   2.283
  270    HB   THR  42           HB       THR  42  13.607  -5.255   3.234
  271    HG1  THR  42           HG1      THR  42  14.055  -3.214   3.591
  272   1HG2  THR  42          2HG2      THR  42  13.139  -3.953   0.468
  273   2HG2  THR  42          1HG2      THR  42  14.588  -4.797   0.979
  274   3HG2  THR  42          3HG2      THR  42  13.108  -5.693   0.695
  275    H    ILE  43           H        ILE  43  10.006  -2.947   3.818
  276    HA   ILE  43           HA       ILE  43   9.974  -4.272   6.470
  277    HB   ILE  43           HB       ILE  43  10.073  -1.906   7.522
  278   1HG1  ILE  43          2HG1      ILE  43  11.278  -1.083   4.841
  279   2HG1  ILE  43          1HG1      ILE  43   9.670  -0.612   5.351
  280   1HG2  ILE  43          2HG2      ILE  43  11.977  -3.502   7.588
  281   2HG2  ILE  43          1HG2      ILE  43  12.548  -2.919   6.035
  282   3HG2  ILE  43          3HG2      ILE  43  12.588  -1.871   7.443
  283   1HD1  ILE  43          1HD1      ILE  43  10.626   0.534   7.348
  284   2HD1  ILE  43          3HD1      ILE  43  12.252   0.116   6.821
  285   3HD1  ILE  43          2HD1      ILE  43  11.262   1.187   5.850
  286    H    GLY  44           H        GLY  44   7.954  -4.961   6.291
  287   1HA   GLY  44          2HA       GLY  44   5.579  -4.728   6.512
  288   2HA   GLY  44          1HA       GLY  44   5.749  -2.985   6.178
  289    H    TRP  45           H        TRP  45   3.885  -3.723   4.529
  290    HA   TRP  45           HA       TRP  45   5.263  -4.506   1.967
  291   1HB   TRP  45          2HB       TRP  45   2.394  -5.062   2.664
  292   2HB   TRP  45          1HB       TRP  45   3.258  -5.641   1.257
  293    HD1  TRP  45           HD1      TRP  45   3.682  -6.077   5.191
  294    HE1  TRP  45           HE1      TRP  45   4.196  -8.514   5.471
  295    HE3  TRP  45           HE3      TRP  45   3.734  -7.550   0.381
  296    HZ2  TRP  45           HZ2      TRP  45   4.570 -10.912   3.904
  297    HZ3  TRP  45           HZ3      TRP  45   4.166  -9.903  -0.234
  298    HH2  TRP  45           HH2      TRP  45   4.591 -11.578   1.531
  299    H    CYS  46           H        CYS  46   4.474  -3.351   0.070
  300    HA   CYS  46           HA       CYS  46   2.847  -0.942   0.802
  301   1HB   CYS  46          2HB       CYS  46   5.151  -1.436  -1.006
  302   2HB   CYS  46          1HB       CYS  46   3.900  -0.372  -1.574
  303    H    CYS  47           H        CYS  47   0.870  -0.883  -0.115
  304    HA   CYS  47           HA       CYS  47   0.468  -2.324  -2.650
  305   1HB   CYS  47          2HB       CYS  47   0.122  -3.899  -0.600
  306   2HB   CYS  47          1HB       CYS  47  -1.363  -3.010  -0.332
  307    H    LYS  48           H        LYS  48  -2.220  -2.313  -2.777
  308    HA   LYS  48           HA       LYS  48  -3.175   0.397  -2.078
  309   1HB   LYS  48          2HB       LYS  48  -3.767   0.796  -4.523
  310   2HB   LYS  48          1HB       LYS  48  -2.043   0.832  -4.202
  311   1HG   LYS  48          2HG       LYS  48  -1.641  -1.311  -5.095
  312   2HG   LYS  48          1HG       LYS  48  -3.297  -1.839  -4.944
  313   1HD   LYS  48          2HD       LYS  48  -2.485   0.384  -6.824
  314   2HD   LYS  48          1HD       LYS  48  -2.440  -1.310  -7.292
  315   1HE   LYS  48          2HE       LYS  48  -4.880  -1.544  -6.717
  316   2HE   LYS  48          1HE       LYS  48  -4.941   0.150  -6.267
  317   1HZ   LYS  48          2HZ       LYS  48  -3.787   0.021  -8.804
  318   2HZ   LYS  48          1HZ       LYS  48  -5.159  -0.996  -8.812
  319   3HZ   LYS  48          3HZ       LYS  48  -5.323   0.624  -8.354
  320    H    GLN  49           H        GLN  49  -5.594   0.563  -2.590
  321    HA   GLN  49           HA       GLN  49  -6.766  -1.967  -2.230
  322   1HB   GLN  49          2HB       GLN  49  -7.060   0.597  -1.113
  323   2HB   GLN  49          1HB       GLN  49  -8.314   0.623  -2.360
  324   1HG   GLN  49          2HG       GLN  49  -8.967  -1.511  -1.708
  325   2HG   GLN  49          1HG       GLN  49  -7.785  -1.529  -0.392
  326   1HE2  GLN  49          2HE2      GLN  49 -10.974  -0.635   1.210
  327   2HE2  GLN  49          1HE2      GLN  49 -10.345  -1.996   0.398
   
  No H/Q in entry =         327
  Start of MODEL           3
 Raw file had  333 H/Q atoms
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1  -1.788   4.356  10.353
    2   2H    GLY   1          3H        GLY   1  -3.323   3.644  10.231
    3   3H    GLY   1          2H        GLY   1  -2.077   2.844  11.073
    4   1HA   GLY   1          2HA       GLY   1  -1.400   1.834   9.200
    5   2HA   GLY   1          1HA       GLY   1  -2.676   2.690   8.306
    6    H    VAL   2           H        VAL   2  -0.469   2.536   6.807
    7    HA   VAL   2           HA       VAL   2   0.687   5.252   6.957
    8    HB   VAL   2           HB       VAL   2   2.338   2.743   6.443
    9   1HG1  VAL   2          3HG1      VAL   2   3.184   5.654   6.806
   10   2HG1  VAL   2          2HG1      VAL   2   4.283   4.305   6.616
   11   3HG1  VAL   2          1HG1      VAL   2   3.228   4.751   5.298
   12   1HG2  VAL   2          1HG2      VAL   2   2.284   4.534   8.930
   13   2HG2  VAL   2          3HG2      VAL   2   1.711   2.876   8.879
   14   3HG2  VAL   2          2HG2      VAL   2   3.416   3.214   8.673
   15    H    SER   3           H        SER   3   1.138   6.087   5.080
   16    HA   SER   3           HA       SER   3  -0.183   5.208   2.665
   17   1HB   SER   3          2HB       SER   3   1.526   7.648   2.724
   18   2HB   SER   3          1HB       SER   3  -0.155   7.550   2.229
   19    HG   SER   3           HG       SER   3   0.680   8.374   4.576
   20    H    CYS   4           H        CYS   4   0.932   5.240   0.501
   21    HA   CYS   4           HA       CYS   4   3.837   5.126   0.406
   22   1HB   CYS   4          2HB       CYS   4   3.283   2.849   1.297
   23   2HB   CYS   4          1HB       CYS   4   2.279   2.543  -0.102
   24    H    LEU   5           H        LEU   5   4.533   5.366  -1.797
   25    HA   LEU   5           HA       LEU   5   2.508   6.167  -3.716
   26   1HB   LEU   5          2HB       LEU   5   5.363   6.511  -3.523
   27   2HB   LEU   5          1HB       LEU   5   5.086   5.662  -5.023
   28    HG   LEU   5           HG       LEU   5   3.954   8.356  -4.137
   29   1HD1  LEU   5          1HD1      LEU   5   6.271   8.351  -5.056
   30   2HD1  LEU   5          3HD1      LEU   5   5.691   7.547  -6.509
   31   3HD1  LEU   5          2HD1      LEU   5   5.170   9.180  -6.145
   32   1HD2  LEU   5          3HD2      LEU   5   3.334   6.914  -6.782
   33   2HD2  LEU   5          2HD2      LEU   5   2.151   7.192  -5.503
   34   3HD2  LEU   5          1HD2      LEU   5   2.840   8.535  -6.363
   35    H    CYS   6           H        CYS   6   2.820   5.253  -6.011
   36    HA   CYS   6           HA       CYS   6   2.805   2.265  -5.925
   37   1HB   CYS   6          2HB       CYS   6   1.064   4.122  -7.577
   38   2HB   CYS   6          1HB       CYS   6   1.053   2.386  -7.686
   39    H    ASP   7           H        ASP   7   3.913   1.251  -7.529
   40    HA   ASP   7           HA       ASP   7   6.038   2.540  -8.836
   41   1HB   ASP   7          2HB       ASP   7   4.713  -0.164  -9.170
   42   2HB   ASP   7          1HB       ASP   7   5.995   0.343 -10.258
   43    H    SER   8           H        SER   8   2.997   2.982  -9.883
   44    HA   SER   8           HA       SER   8   3.927   3.350 -12.728
   45   1HB   SER   8          2HB       SER   8   1.854   1.857 -12.346
   46   2HB   SER   8          1HB       SER   8   1.003   3.335 -11.863
   47    HG   SER   8           HG       SER   8   2.046   4.214 -13.916
   48    H    ASP   9           H        ASP   9   3.317   5.093  -9.937
   49    HA   ASP   9           HA       ASP   9   2.628   7.567 -11.471
   50   1HB   ASP   9          2HB       ASP   9   1.937   6.543  -8.747
   51   2HB   ASP   9          1HB       ASP   9   2.218   8.236  -8.785
   52    H    GLY  10           H        GLY  10   4.419   8.733 -11.888
   53   1HA   GLY  10          2HA       GLY  10   6.591   8.774  -9.841
   54   2HA   GLY  10          1HA       GLY  10   6.893   8.809 -11.584
   55    HA   PRO  11           HA       PRO  11   5.142  13.130 -10.664
   56   1HB   PRO  11          2HB       PRO  11   4.242  13.747  -8.143
   57   2HB   PRO  11          1HB       PRO  11   3.192  12.978  -9.341
   58   1HG   PRO  11          2HG       PRO  11   4.841  11.627  -7.138
   59   2HG   PRO  11          1HG       PRO  11   3.124  11.414  -7.483
   60   1HD   PRO  11          2HD       PRO  11   4.969   9.654  -8.482
   61   2HD   PRO  11          1HD       PRO  11   3.580  10.129  -9.483
   62    H    SER  12           H        SER  12   6.466  14.979 -10.016
   63    HA   SER  12           HA       SER  12   9.000  14.116  -8.839
   64   1HB   SER  12          2HB       SER  12   9.598  16.519  -9.528
   65   2HB   SER  12          1HB       SER  12   9.156  15.350 -10.796
   66    HG   SER  12           HG       SER  12   7.416  17.141  -9.422
   67    H    VAL  13           H        VAL  13   8.880  13.963  -6.851
   68    HA   VAL  13           HA       VAL  13   9.109  16.104  -5.015
   69    HB   VAL  13           HB       VAL  13   6.659  16.432  -5.343
   70   1HG1  VAL  13          2HG1      VAL  13   6.141  14.155  -6.189
   71   2HG1  VAL  13          1HG1      VAL  13   6.344  13.488  -4.584
   72   3HG1  VAL  13          3HG1      VAL  13   5.039  14.622  -4.916
   73   1HG2  VAL  13          3HG2      VAL  13   7.438  16.740  -2.993
   74   2HG2  VAL  13          2HG2      VAL  13   5.789  16.161  -3.065
   75   3HG2  VAL  13          1HG2      VAL  13   7.070  15.057  -2.632
   76    H    ARG  14           H        ARG  14   9.043  15.148  -2.681
   77    HA   ARG  14           HA       ARG  14   9.281  12.284  -2.403
   78   1HB   ARG  14          2HB       ARG  14  11.579  13.174  -3.311
   79   2HB   ARG  14          1HB       ARG  14  11.677  14.122  -1.837
   80   1HG   ARG  14          2HG       ARG  14  11.110  11.409  -1.027
   81   2HG   ARG  14          1HG       ARG  14  12.286  11.306  -2.302
   82   1HD   ARG  14          2HD       ARG  14  12.620  13.092   0.156
   83   2HD   ARG  14          1HD       ARG  14  13.386  11.523  -0.048
   84    HE   ARG  14           HE       ARG  14  13.836  13.625  -2.134
   85   1HH1  ARG  14          1HH2      ARG  14  15.147  10.982  -1.857
   86   2HH1  ARG  14          2HH2      ARG  14  16.728  11.352  -1.261
   87   1HH2  ARG  14          2HH1      ARG  14  15.555  14.604  -0.326
   88   2HH2  ARG  14          1HH1      ARG  14  16.980  13.632  -0.314
   89    H    GLY  15           H        GLY  15   9.751  11.915   0.049
   90   1HA   GLY  15          2HA       GLY  15   9.382  12.503   2.306
   91   2HA   GLY  15          1HA       GLY  15   9.312  14.192   1.810
   92    H    ASN  16           H        ASN  16   7.237  13.721  -0.141
   93    HA   ASN  16           HA       ASN  16   4.929  12.903   1.473
   94   1HB   ASN  16          2HB       ASN  16   5.274  15.455   1.732
   95   2HB   ASN  16          1HB       ASN  16   5.089  15.597  -0.011
   96   1HD2  ASN  16          2HD2      ASN  16   1.686  16.237   0.981
   97   2HD2  ASN  16          1HD2      ASN  16   3.147  17.024   0.599
   98    H    THR  17           H        THR  17   3.019  12.858   0.056
   99    HA   THR  17           HA       THR  17   1.844  12.483  -1.949
  100    HB   THR  17           HB       THR  17   4.437  11.995  -3.522
  101    HG1  THR  17           HG1      THR  17   4.828  13.938  -2.872
  102   1HG2  THR  17          1HG2      THR  17   2.054  11.800  -4.642
  103   2HG2  THR  17          3HG2      THR  17   1.816  13.481  -4.202
  104   3HG2  THR  17          2HG2      THR  17   3.085  13.038  -5.327
  105    H    LEU  18           H        LEU  18   0.872  10.593  -2.249
  106    HA   LEU  18           HA       LEU  18   2.305   8.019  -2.578
  107   1HB   LEU  18          2HB       LEU  18   1.216   6.990  -0.703
  108   2HB   LEU  18          1HB       LEU  18   2.114   8.368  -0.121
  109    HG   LEU  18           HG       LEU  18  -0.527   9.245  -0.784
  110   1HD1  LEU  18          3HD1      LEU  18  -0.742   6.654   0.655
  111   2HD1  LEU  18          2HD1      LEU  18  -1.985   7.898   0.571
  112   3HD1  LEU  18          1HD1      LEU  18  -1.381   7.123  -0.879
  113   1HD2  LEU  18          3HD2      LEU  18   0.888   9.276   1.813
  114   2HD2  LEU  18          2HD2      LEU  18   0.697  10.509   0.626
  115   3HD2  LEU  18          1HD2      LEU  18  -0.705   9.948   1.513
  116    H    SER  19           H        SER  19   0.863   6.463  -3.327
  117    HA   SER  19           HA       SER  19  -1.814   7.393  -4.258
  118   1HB   SER  19          2HB       SER  19   0.357   6.264  -6.137
  119   2HB   SER  19          1HB       SER  19  -1.285   6.700  -6.617
  120    HG   SER  19           HG       SER  19  -0.427   8.716  -5.143
  121    H    GLY  20           H        GLY  20  -0.047   5.275  -2.685
  122   1HA   GLY  20          2HA       GLY  20  -1.956   3.136  -2.989
  123   2HA   GLY  20          1HA       GLY  20  -0.230   2.730  -3.022
  124    H    THR  21           H        THR  21  -0.774   1.451  -0.777
  125    HA   THR  21           HA       THR  21  -0.349   3.251   1.394
  126    HB   THR  21           HB       THR  21  -2.696   1.297   1.212
  127    HG1  THR  21           HG1      THR  21  -2.372   3.930   0.611
  128   1HG2  THR  21          2HG2      THR  21  -1.844   1.563   3.628
  129   2HG2  THR  21          1HG2      THR  21  -2.102   3.294   3.447
  130   3HG2  THR  21          3HG2      THR  21  -3.455   2.185   3.368
  131    H    LEU  22           H        LEU  22   0.238   2.031   3.100
  132    HA   LEU  22           HA       LEU  22   1.505  -0.589   2.412
  133   1HB   LEU  22          2HB       LEU  22   3.166   1.011   2.641
  134   2HB   LEU  22          1HB       LEU  22   2.535   1.724   4.116
  135    HG   LEU  22           HG       LEU  22   3.504  -1.189   4.066
  136   1HD1  LEU  22          3HD1      LEU  22   5.324   0.221   3.025
  137   2HD1  LEU  22          2HD1      LEU  22   5.278   1.282   4.422
  138   3HD1  LEU  22          1HD1      LEU  22   5.789  -0.384   4.599
  139   1HD2  LEU  22          3HD2      LEU  22   3.621   1.031   6.153
  140   2HD2  LEU  22          2HD2      LEU  22   2.408  -0.237   6.146
  141   3HD2  LEU  22          1HD2      LEU  22   4.108  -0.633   6.376
  142    H    TRP  23           H        TRP  23   1.553  -2.154   3.751
  143    HA   TRP  23           HA       TRP  23  -0.254  -2.155   6.112
  144   1HB   TRP  23          2HB       TRP  23   0.077  -4.146   3.823
  145   2HB   TRP  23          1HB       TRP  23  -0.663  -4.662   5.342
  146    HD1  TRP  23           HD1      TRP  23  -1.436  -2.498   2.206
  147    HE1  TRP  23           HE1      TRP  23  -3.732  -1.552   2.560
  148    HE3  TRP  23           HE3      TRP  23  -2.245  -3.975   6.974
  149    HZ2  TRP  23           HZ2      TRP  23  -5.746  -1.363   4.601
  150    HZ3  TRP  23           HZ3      TRP  23  -4.370  -3.336   8.109
  151    HH2  TRP  23           HH2      TRP  23  -6.099  -2.059   6.913
  152    H    LEU  24           H        LEU  24   0.512  -2.908   7.889
  153    HA   LEU  24           HA       LEU  24   3.326  -3.707   8.111
  154   1HB   LEU  24          2HB       LEU  24   1.434  -3.543  10.477
  155   2HB   LEU  24          1HB       LEU  24   3.143  -3.199  10.402
  156    HG   LEU  24           HG       LEU  24   0.996  -1.528   9.089
  157   1HD1  LEU  24          1HD1      LEU  24   2.638  -0.988  11.617
  158   2HD1  LEU  24          3HD1      LEU  24   1.529   0.158  10.888
  159   3HD1  LEU  24          2HD1      LEU  24   0.916  -1.336  11.573
  160   1HD2  LEU  24          2HD2      LEU  24   3.229  -1.438   7.974
  161   2HD2  LEU  24          1HD2      LEU  24   2.887   0.108   8.731
  162   3HD2  LEU  24          3HD2      LEU  24   3.994  -1.021   9.487
  163    H    TYR  25           H        TYR  25   0.376  -4.959   7.930
  164    HA   TYR  25           HA       TYR  25   0.450  -7.340   9.501
  165   1HB   TYR  25          2HB       TYR  25  -0.857  -6.860   6.784
  166   2HB   TYR  25          1HB       TYR  25  -1.331  -8.124   7.813
  167    HD1  TYR  25           HD1      TYR  25  -0.664  -5.416  10.048
  168    HD2  TYR  25           HD2      TYR  25  -3.579  -6.985   7.348
  169    HE1  TYR  25           HE1      TYR  25  -2.401  -4.180  11.195
  170    HE2  TYR  25           HE2      TYR  25  -5.319  -5.740   8.523
  171    HH   TYR  25           HH       TYR  25  -4.978  -4.475  11.526
  172    HA   PRO  26           HA       PRO  26   3.791  -9.163   7.854
  173   1HB   PRO  26          2HB       PRO  26   3.505 -11.863   8.262
  174   2HB   PRO  26          1HB       PRO  26   3.578 -10.731   9.616
  175   1HG   PRO  26          2HG       PRO  26   1.062 -11.829   8.221
  176   2HG   PRO  26          1HG       PRO  26   1.423 -11.840   9.949
  177   1HD   PRO  26          2HD       PRO  26  -0.113  -9.852   8.882
  178   2HD   PRO  26          1HD       PRO  26   1.068  -9.460  10.153
  179    H    SER  27           H        SER  27   0.979  -9.971   6.424
  180    HA   SER  27           HA       SER  27   2.293 -11.075   3.963
  181   1HB   SER  27          2HB       SER  27  -0.129 -11.765   3.408
  182   2HB   SER  27          1HB       SER  27   0.568 -12.588   4.815
  183    HG   SER  27           HG       SER  27  -1.457 -10.734   4.734
  184    H    GLY  28           H        GLY  28   1.473  -8.279   5.162
  185   1HA   GLY  28          2HA       GLY  28   1.189  -6.185   4.163
  186   2HA   GLY  28          1HA       GLY  28   1.373  -7.005   2.634
  187    H    CYS  29           H        CYS  29  -0.076  -6.913   1.430
  188    HA   CYS  29           HA       CYS  29  -2.360  -5.578   1.457
  189   1HB   CYS  29          2HB       CYS  29  -0.993  -7.011  -0.387
  190   2HB   CYS  29          1HB       CYS  29  -2.402  -8.014  -0.225
  191    HA   PRO  30           HA       PRO  30  -4.867  -8.368   4.040
  192   1HB   PRO  30          2HB       PRO  30  -6.793  -6.503   4.683
  193   2HB   PRO  30          1HB       PRO  30  -5.263  -6.674   5.542
  194   1HG   PRO  30          2HG       PRO  30  -6.041  -4.551   3.562
  195   2HG   PRO  30          1HG       PRO  30  -4.907  -4.505   4.886
  196   1HD   PRO  30          2HD       PRO  30  -4.301  -4.892   2.125
  197   2HD   PRO  30          1HD       PRO  30  -3.153  -5.087   3.472
  198    H    SER  31           H        SER  31  -6.269  -9.607   3.204
  199    HA   SER  31           HA       SER  31  -7.123  -9.697   0.615
  200   1HB   SER  31          2HB       SER  31  -8.796 -10.861   2.947
  201   2HB   SER  31          1HB       SER  31  -8.461 -11.650   1.393
  202    HG   SER  31           HG       SER  31  -6.665 -12.363   2.285
  203    H    GLY  32           H        GLY  32  -7.959  -8.215  -0.297
  204   1HA   GLY  32          2HA       GLY  32 -10.397  -7.433  -0.840
  205   2HA   GLY  32          1HA       GLY  32 -10.194  -6.597   0.721
  206    H    TRP  33           H        TRP  33  -7.087  -6.848  -0.333
  207    HA   TRP  33           HA       TRP  33  -7.181  -4.290  -1.711
  208   1HB   TRP  33          2HB       TRP  33  -5.164  -5.715   0.184
  209   2HB   TRP  33          1HB       TRP  33  -4.620  -4.361  -0.745
  210    HD1  TRP  33           HD1      TRP  33  -7.711  -5.008   1.630
  211    HE1  TRP  33           HE1      TRP  33  -7.972  -2.812   2.842
  212    HE3  TRP  33           HE3      TRP  33  -3.962  -2.406  -0.429
  213    HZ2  TRP  33           HZ2      TRP  33  -6.749  -0.152   2.966
  214    HZ3  TRP  33           HZ3      TRP  33  -3.510  -0.123   0.165
  215    HH2  TRP  33           HH2      TRP  33  -4.873   1.047   1.860
  216    H    HIS  34           H        HIS  34  -4.770  -4.509  -2.805
  217    HA   HIS  34           HA       HIS  34  -4.758  -6.836  -4.485
  218   1HB   HIS  34          2HB       HIS  34  -5.215  -4.033  -5.454
  219   2HB   HIS  34          1HB       HIS  34  -4.530  -5.198  -6.573
  220    HD1  HIS  34           HD1      HIS  34  -6.221  -7.581  -6.314
  221    HD2  HIS  34           HD2      HIS  34  -7.895  -3.888  -5.825
  222    HE1  HIS  34           HE1      HIS  34  -8.639  -7.849  -6.724
  223    H    ASN  35           H        ASN  35  -3.137  -3.925  -4.833
  224    HA   ASN  35           HA       ASN  35  -0.524  -4.220  -4.085
  225   1HB   ASN  35          2HB       ASN  35   0.739  -5.052  -5.969
  226   2HB   ASN  35          1HB       ASN  35  -0.309  -6.294  -5.302
  227   1HD2  ASN  35          2HD2      ASN  35  -2.244  -6.552  -8.261
  228   2HD2  ASN  35          1HD2      ASN  35  -2.171  -6.936  -6.596
  229    H    CYS  36           H        CYS  36   0.741  -2.618  -4.556
  230    HA   CYS  36           HA       CYS  36   0.265  -0.901  -6.944
  231   1HB   CYS  36          2HB       CYS  36  -0.511  -0.126  -4.253
  232   2HB   CYS  36          1HB       CYS  36   0.862   0.834  -4.717
  233    H    LYS  37           H        LYS  37   2.399  -2.482  -4.906
  234    HA   LYS  37           HA       LYS  37   4.631  -1.046  -6.087
  235   1HB   LYS  37          2HB       LYS  37   4.008  -1.637  -3.256
  236   2HB   LYS  37          1HB       LYS  37   5.683  -1.729  -3.620
  237   1HG   LYS  37          2HG       LYS  37   3.801   0.702  -3.950
  238   2HG   LYS  37          1HG       LYS  37   5.127   0.586  -2.822
  239   1HD   LYS  37          2HD       LYS  37   5.354   0.830  -5.819
  240   2HD   LYS  37          1HD       LYS  37   5.896   1.949  -4.596
  241   1HE   LYS  37          2HE       LYS  37   7.568   0.255  -3.762
  242   2HE   LYS  37          1HE       LYS  37   7.004  -0.889  -4.985
  243   1HZ   LYS  37          1HZ       LYS  37   7.607   1.491  -6.304
  244   2HZ   LYS  37          3HZ       LYS  37   8.966   1.010  -5.373
  245   3HZ   LYS  37          2HZ       LYS  37   8.178   0.014  -6.518
  246    H    ALA  38           H        ALA  38   5.433  -2.431  -7.382
  247    HA   ALA  38           HA       ALA  38   5.296  -5.329  -6.990
  248   1HB   ALA  38          1HB       ALA  38   5.143  -4.301  -9.280
  249   2HB   ALA  38          3HB       ALA  38   6.770  -3.663  -9.095
  250   3HB   ALA  38          2HB       ALA  38   6.515  -5.398  -9.195
  251    H    HIS  39           H        HIS  39   6.727  -3.791  -5.007
  252    HA   HIS  39           HA       HIS  39   9.376  -5.160  -5.073
  253   1HB   HIS  39          2HB       HIS  39   8.881  -2.291  -4.024
  254   2HB   HIS  39          1HB       HIS  39  10.416  -3.134  -3.984
  255    HD1  HIS  39           HD1      HIS  39  11.863  -2.068  -5.730
  256    HD2  HIS  39           HD2      HIS  39   8.039  -2.399  -7.115
  257    HE1  HIS  39           HE1      HIS  39  11.867  -1.205  -8.039
  258    H    GLY  40           H        GLY  40   9.751  -3.861  -2.285
  259   1HA   GLY  40          2HA       GLY  40   7.979  -5.753  -0.861
  260   2HA   GLY  40          1HA       GLY  40   9.421  -5.089  -0.196
  261    HA   PRO  41           HA       PRO  41  10.246  -3.197   0.080
  262   1HB   PRO  41          2HB       PRO  41  10.841  -1.448   2.123
  263   2HB   PRO  41          1HB       PRO  41  10.079  -0.860   0.640
  264   1HG   PRO  41          2HG       PRO  41   8.644  -1.737   3.232
  265   2HG   PRO  41          1HG       PRO  41   8.507  -0.187   2.405
  266   1HD   PRO  41          2HD       PRO  41   6.742  -2.262   1.941
  267   2HD   PRO  41          1HD       PRO  41   7.174  -1.136   0.645
  268    H    THR  42           H        THR  42  11.875  -3.149   2.279
  269    HA   THR  42           HA       THR  42  11.452  -5.843   3.360
  270    HB   THR  42           HB       THR  42  13.788  -4.009   4.148
  271    HG1  THR  42           HG1      THR  42  14.444  -4.049   2.099
  272   1HG2  THR  42          3HG2      THR  42  13.665  -6.476   4.896
  273   2HG2  THR  42          2HG2      THR  42  13.665  -6.929   3.197
  274   3HG2  THR  42          1HG2      THR  42  15.062  -6.123   3.893
  275    H    ILE  43           H        ILE  43   9.985  -3.255   4.126
  276    HA   ILE  43           HA       ILE  43   9.810  -3.783   7.017
  277    HB   ILE  43           HB       ILE  43   9.879  -1.196   7.380
  278   1HG1  ILE  43          2HG1      ILE  43  11.284  -1.291   4.656
  279   2HG1  ILE  43          1HG1      ILE  43   9.706  -0.588   4.942
  280   1HG2  ILE  43          2HG2      ILE  43  11.709  -2.723   8.124
  281   2HG2  ILE  43          1HG2      ILE  43  12.474  -2.594   6.554
  282   3HG2  ILE  43          3HG2      ILE  43  12.371  -1.191   7.601
  283   1HD1  ILE  43          1HD1      ILE  43  10.695   1.059   6.497
  284   2HD1  ILE  43          3HD1      ILE  43  12.300   0.399   6.204
  285   3HD1  ILE  43          2HD1      ILE  43  11.416   1.170   4.902
  286    H    GLY  44           H        GLY  44   7.860  -4.715   6.216
  287   1HA   GLY  44          2HA       GLY  44   5.460  -4.478   6.272
  288   2HA   GLY  44          1HA       GLY  44   5.649  -2.742   5.987
  289    H    TRP  45           H        TRP  45   3.811  -3.991   4.391
  290    HA   TRP  45           HA       TRP  45   5.278  -4.357   1.784
  291   1HB   TRP  45          2HB       TRP  45   2.448  -5.248   2.341
  292   2HB   TRP  45          1HB       TRP  45   3.425  -5.611   0.948
  293    HD1  TRP  45           HD1      TRP  45   4.221  -6.451   4.795
  294    HE1  TRP  45           HE1      TRP  45   4.570  -8.963   4.756
  295    HE3  TRP  45           HE3      TRP  45   3.348  -7.472  -0.075
  296    HZ2  TRP  45           HZ2      TRP  45   4.521 -11.174   2.982
  297    HZ3  TRP  45           HZ3      TRP  45   3.498  -9.779  -0.934
  298    HH2  TRP  45           HH2      TRP  45   4.080 -11.624   0.584
  299    H    CYS  46           H        CYS  46   4.610  -3.121   0.041
  300    HA   CYS  46           HA       CYS  46   2.618  -0.964   0.655
  301   1HB   CYS  46          2HB       CYS  46   4.944  -1.220  -1.234
  302   2HB   CYS  46          1HB       CYS  46   3.677  -0.050  -1.525
  303    H    CYS  47           H        CYS  47   0.689  -1.262  -0.182
  304    HA   CYS  47           HA       CYS  47   0.290  -2.536  -2.805
  305   1HB   CYS  47          2HB       CYS  47   0.016  -4.080  -0.549
  306   2HB   CYS  47          1HB       CYS  47  -1.541  -3.323  -0.514
  307    H    LYS  48           H        LYS  48  -2.436  -2.480  -2.802
  308    HA   LYS  48           HA       LYS  48  -3.438   0.119  -1.858
  309   1HB   LYS  48          2HB       LYS  48  -4.308   0.751  -4.096
  310   2HB   LYS  48          1HB       LYS  48  -2.566   0.818  -4.077
  311   1HG   LYS  48          2HG       LYS  48  -2.343  -1.082  -5.377
  312   2HG   LYS  48          1HG       LYS  48  -3.975  -1.681  -5.076
  313   1HD   LYS  48          2HD       LYS  48  -4.955  -0.009  -6.419
  314   2HD   LYS  48          1HD       LYS  48  -3.508   1.002  -6.436
  315   1HE   LYS  48          2HE       LYS  48  -2.330  -0.572  -7.862
  316   2HE   LYS  48          1HE       LYS  48  -3.604  -1.772  -7.724
  317   1HZ   LYS  48          1HZ       LYS  48  -4.709   0.679  -8.545
  318   2HZ   LYS  48          3HZ       LYS  48  -3.414   0.339  -9.588
  319   3HZ   LYS  48          2HZ       LYS  48  -4.680  -0.794  -9.403
  320    H    GLN  49           H        GLN  49  -5.889   0.059  -2.310
  321    HA   GLN  49           HA       GLN  49  -6.730  -2.483  -1.685
  322   1HB   GLN  49          2HB       GLN  49  -7.489   0.144  -1.163
  323   2HB   GLN  49          1HB       GLN  49  -8.635  -0.304  -2.434
  324   1HG   GLN  49          2HG       GLN  49  -9.092  -2.280  -1.369
  325   2HG   GLN  49          1HG       GLN  49  -7.922  -1.966  -0.090
  326   1HE2  GLN  49          2HE2      GLN  49 -10.876  -1.018   1.672
  327   2HE2  GLN  49          1HE2      GLN  49  -9.963  -2.402   1.263
   
  No H/Q in entry =         327
  Start of MODEL           4
 Raw file had  333 H/Q atoms
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1  -3.701   4.633   8.088
    2   2H    GLY   1          3H        GLY   1  -4.815   3.463   7.563
    3   3H    GLY   1          2H        GLY   1  -4.214   3.414   9.155
    4   1HA   GLY   1          2HA       GLY   1  -2.479   2.168   8.511
    5   2HA   GLY   1          1HA       GLY   1  -3.125   2.194   6.850
    6    H    VAL   2           H        VAL   2  -0.357   2.359   7.025
    7    HA   VAL   2           HA       VAL   2   0.361   5.237   7.060
    8    HB   VAL   2           HB       VAL   2   2.076   2.856   6.290
    9   1HG1  VAL   2          1HG1      VAL   2   2.902   5.587   7.321
   10   2HG1  VAL   2          3HG1      VAL   2   3.991   4.260   6.970
   11   3HG1  VAL   2          2HG1      VAL   2   3.074   4.992   5.676
   12   1HG2  VAL   2          2HG2      VAL   2   1.182   2.467   8.607
   13   2HG2  VAL   2          1HG2      VAL   2   2.895   2.807   8.667
   14   3HG2  VAL   2          3HG2      VAL   2   1.742   4.062   9.082
   15    H    SER   3           H        SER   3   0.828   6.306   5.148
   16    HA   SER   3           HA       SER   3  -0.350   5.190   2.719
   17   1HB   SER   3          2HB       SER   3   1.282   7.758   2.923
   18   2HB   SER   3          1HB       SER   3  -0.010   7.434   1.776
   19    HG   SER   3           HG       SER   3  -1.336   8.178   3.281
   20    H    CYS   4           H        CYS   4   0.894   5.231   0.690
   21    HA   CYS   4           HA       CYS   4   3.822   5.035   0.901
   22   1HB   CYS   4          2HB       CYS   4   3.102   2.791   1.640
   23   2HB   CYS   4          1HB       CYS   4   2.185   2.583   0.160
   24    H    LEU   5           H        LEU   5   4.848   4.864  -1.219
   25    HA   LEU   5           HA       LEU   5   3.137   5.955  -3.353
   26   1HB   LEU   5          2HB       LEU   5   5.937   6.211  -2.626
   27   2HB   LEU   5          1HB       LEU   5   5.885   5.492  -4.211
   28    HG   LEU   5           HG       LEU   5   4.540   8.065  -3.405
   29   1HD1  LEU   5          3HD1      LEU   5   6.876   7.502  -5.228
   30   2HD1  LEU   5          2HD1      LEU   5   6.163   9.078  -4.973
   31   3HD1  LEU   5          1HD1      LEU   5   6.978   8.266  -3.637
   32   1HD2  LEU   5          2HD2      LEU   5   4.690   6.722  -6.145
   33   2HD2  LEU   5          1HD2      LEU   5   3.235   6.927  -5.191
   34   3HD2  LEU   5          3HD2      LEU   5   4.041   8.323  -5.843
   35    H    CYS   6           H        CYS   6   2.252   4.670  -4.792
   36    HA   CYS   6           HA       CYS   6   3.252   1.898  -5.050
   37   1HB   CYS   6          2HB       CYS   6   0.739   3.305  -5.809
   38   2HB   CYS   6          1HB       CYS   6   1.103   1.809  -6.593
   39    H    ASP   7           H        ASP   7   3.672   0.958  -7.065
   40    HA   ASP   7           HA       ASP   7   5.209   2.552  -8.913
   41   1HB   ASP   7          2HB       ASP   7   4.432  -0.374  -8.679
   42   2HB   ASP   7          1HB       ASP   7   4.804   0.219 -10.265
   43    H    SER   8           H        SER   8   2.257   2.922  -8.696
   44    HA   SER   8           HA       SER   8   1.759   3.280 -11.611
   45   1HB   SER   8          2HB       SER   8   0.607   1.226 -10.606
   46   2HB   SER   8          1HB       SER   8  -0.238   2.307  -9.492
   47    HG   SER   8           HG       SER   8  -0.632   1.948 -12.252
   48    H    ASP   9           H        ASP   9   2.278   4.742  -8.739
   49    HA   ASP   9           HA       ASP   9   0.266   6.891  -8.973
   50   1HB   ASP   9          2HB       ASP   9   2.627   6.456  -7.074
   51   2HB   ASP   9          1HB       ASP   9   1.504   7.789  -6.919
   52    H    GLY  10           H        GLY  10   1.331   6.831 -11.206
   53   1HA   GLY  10          2HA       GLY  10   2.448   8.091 -12.840
   54   2HA   GLY  10          1HA       GLY  10   2.843   9.253 -11.581
   55    HA   PRO  11           HA       PRO  11   6.830   7.629 -12.693
   56   1HB   PRO  11          2HB       PRO  11   8.478   9.157 -11.123
   57   2HB   PRO  11          1HB       PRO  11   7.605   9.848 -12.494
   58   1HG   PRO  11          2HG       PRO  11   6.792   9.825  -9.549
   59   2HG   PRO  11          1HG       PRO  11   6.845  11.213 -10.644
   60   1HD   PRO  11          2HD       PRO  11   4.484   9.855 -10.185
   61   2HD   PRO  11          1HD       PRO  11   4.833  10.515 -11.802
   62    H    SER  12           H        SER  12   8.891   6.736 -11.571
   63    HA   SER  12           HA       SER  12   7.954   4.773  -9.619
   64   1HB   SER  12          2HB       SER  12  10.445   3.943 -10.261
   65   2HB   SER  12          1HB       SER  12   9.158   3.832 -11.472
   66    HG   SER  12           HG       SER  12  11.348   5.299 -11.648
   67    H    VAL  13           H        VAL  13   9.988   4.147  -8.103
   68    HA   VAL  13           HA       VAL  13  10.903   4.773  -5.964
   69    HB   VAL  13           HB       VAL  13  12.613   5.241  -7.750
   70   1HG1  VAL  13          3HG1      VAL  13  11.819   8.167  -7.602
   71   2HG1  VAL  13          2HG1      VAL  13  13.331   7.562  -8.237
   72   3HG1  VAL  13          1HG1      VAL  13  11.827   7.103  -8.985
   73   1HG2  VAL  13          1HG2      VAL  13  12.942   6.810  -5.170
   74   2HG2  VAL  13          3HG2      VAL  13  13.366   5.147  -5.508
   75   3HG2  VAL  13          2HG2      VAL  13  14.209   6.444  -6.314
   76    H    ARG  14           H        ARG  14  11.530   7.684  -5.801
   77    HA   ARG  14           HA       ARG  14   8.866   8.637  -4.766
   78   1HB   ARG  14          2HB       ARG  14  11.581   9.527  -3.694
   79   2HB   ARG  14          1HB       ARG  14  10.012   9.954  -3.048
   80   1HG   ARG  14          2HG       ARG  14   9.662   7.452  -2.594
   81   2HG   ARG  14          1HG       ARG  14  11.364   7.241  -2.954
   82   1HD   ARG  14          2HD       ARG  14  11.676   9.287  -1.198
   83   2HD   ARG  14          1HD       ARG  14  10.065   8.818  -0.689
   84    HE   ARG  14           HE       ARG  14  10.971   6.540  -0.176
   85   1HH1  ARG  14          2HH1      ARG  14  13.350   7.733  -1.774
   86   2HH1  ARG  14          1HH1      ARG  14  14.623   7.732  -0.606
   87   1HH2  ARG  14          1HH2      ARG  14  12.209   7.125   1.969
   88   2HH2  ARG  14          2HH2      ARG  14  13.897   7.356   1.714
   89    H    GLY  15           H        GLY  15   8.591  11.001  -4.816
   90   1HA   GLY  15          2HA       GLY  15   9.949  13.069  -5.812
   91   2HA   GLY  15          1HA       GLY  15   9.770  12.136  -7.308
   92    H    ASN  16           H        ASN  16   7.314  10.999  -6.537
   93    HA   ASN  16           HA       ASN  16   5.476  13.259  -6.951
   94   1HB   ASN  16          2HB       ASN  16   5.414  11.775  -8.856
   95   2HB   ASN  16          1HB       ASN  16   5.318  10.339  -7.824
   96   1HD2  ASN  16          2HD2      ASN  16   1.820  10.518  -7.876
   97   2HD2  ASN  16          1HD2      ASN  16   3.195   9.537  -7.840
   98    H    THR  17           H        THR  17   3.260  12.919  -6.090
   99    HA   THR  17           HA       THR  17   3.352  12.318  -3.288
  100    HB   THR  17           HB       THR  17   0.863  12.650  -5.091
  101    HG1  THR  17           HG1      THR  17   1.623  14.629  -5.177
  102   1HG2  THR  17          1HG2      THR  17   0.457  11.882  -2.636
  103   2HG2  THR  17          3HG2      THR  17   1.346  13.309  -2.115
  104   3HG2  THR  17          2HG2      THR  17  -0.169  13.479  -2.976
  105    H    LEU  18           H        LEU  18   2.352  10.688  -2.182
  106    HA   LEU  18           HA       LEU  18   2.119   8.081  -3.572
  107   1HB   LEU  18          2HB       LEU  18   2.113   7.265  -1.131
  108   2HB   LEU  18          1HB       LEU  18   3.668   7.686  -1.768
  109    HG   LEU  18           HG       LEU  18   1.908   9.496  -0.110
  110   1HD1  LEU  18          1HD1      LEU  18   4.227   7.647   0.670
  111   2HD1  LEU  18          3HD1      LEU  18   3.449   8.779   1.764
  112   3HD1  LEU  18          2HD1      LEU  18   2.544   7.434   1.098
  113   1HD2  LEU  18          3HD2      LEU  18   3.905  10.665  -1.420
  114   2HD2  LEU  18          2HD2      LEU  18   4.126  10.693   0.308
  115   3HD2  LEU  18          1HD2      LEU  18   4.964   9.512  -0.668
  116    H    SER  19           H        SER  19   0.301   7.009  -3.565
  117    HA   SER  19           HA       SER  19  -2.006   8.036  -1.953
  118   1HB   SER  19          2HB       SER  19  -3.451   7.316  -3.922
  119   2HB   SER  19          1HB       SER  19  -2.410   8.696  -4.274
  120    HG   SER  19           HG       SER  19  -1.084   6.334  -4.849
  121    H    GLY  20           H        GLY  20   0.057   5.495  -2.334
  122   1HA   GLY  20          2HA       GLY  20  -1.870   3.404  -2.123
  123   2HA   GLY  20          1HA       GLY  20  -0.120   3.219  -2.114
  124    H    THR  21           H        THR  21  -0.842   1.734  -0.197
  125    HA   THR  21           HA       THR  21  -0.387   3.179   2.227
  126    HB   THR  21           HB       THR  21  -2.673   1.217   1.929
  127    HG1  THR  21           HG1      THR  21  -2.547   3.882   1.454
  128   1HG2  THR  21          2HG2      THR  21  -1.856   1.316   4.309
  129   2HG2  THR  21          1HG2      THR  21  -2.166   3.050   4.304
  130   3HG2  THR  21          3HG2      THR  21  -3.488   1.918   4.117
  131    H    LEU  22           H        LEU  22   0.473   1.974   3.566
  132    HA   LEU  22           HA       LEU  22   1.647  -0.616   2.727
  133   1HB   LEU  22          2HB       LEU  22   3.261   0.955   3.236
  134   2HB   LEU  22          1HB       LEU  22   2.559   1.450   4.764
  135    HG   LEU  22           HG       LEU  22   3.202  -1.437   4.862
  136   1HD1  LEU  22          1HD1      LEU  22   5.486   0.334   3.948
  137   2HD1  LEU  22          3HD1      LEU  22   5.640  -1.341   4.444
  138   3HD1  LEU  22          2HD1      LEU  22   4.765  -0.935   2.977
  139   1HD2  LEU  22          3HD2      LEU  22   3.153   0.190   6.776
  140   2HD2  LEU  22          2HD2      LEU  22   4.661  -0.718   6.711
  141   3HD2  LEU  22          1HD2      LEU  22   4.610   0.940   6.149
  142    H    TRP  23           H        TRP  23   1.443  -2.280   3.734
  143    HA   TRP  23           HA       TRP  23  -0.397  -2.503   6.065
  144   1HB   TRP  23          2HB       TRP  23  -0.009  -4.233   3.585
  145   2HB   TRP  23          1HB       TRP  23  -0.716  -4.941   5.042
  146    HD1  TRP  23           HD1      TRP  23  -1.636  -2.527   2.141
  147    HE1  TRP  23           HE1      TRP  23  -3.964  -1.737   2.611
  148    HE3  TRP  23           HE3      TRP  23  -2.269  -4.444   6.760
  149    HZ2  TRP  23           HZ2      TRP  23  -5.948  -1.834   4.677
  150    HZ3  TRP  23           HZ3      TRP  23  -4.378  -4.049   7.988
  151    HH2  TRP  23           HH2      TRP  23  -6.213  -2.751   6.942
  152    H    LEU  24           H        LEU  24   0.359  -3.293   7.773
  153    HA   LEU  24           HA       LEU  24   3.139  -4.204   7.985
  154   1HB   LEU  24          2HB       LEU  24   1.248  -4.051  10.357
  155   2HB   LEU  24          1HB       LEU  24   2.959  -3.706  10.286
  156    HG   LEU  24           HG       LEU  24   0.821  -1.999   8.999
  157   1HD1  LEU  24          2HD1      LEU  24   2.427  -1.540  11.559
  158   2HD1  LEU  24          1HD1      LEU  24   1.339  -0.367  10.839
  159   3HD1  LEU  24          3HD1      LEU  24   0.704  -1.870  11.479
  160   1HD2  LEU  24          1HD2      LEU  24   3.809  -1.504   9.399
  161   2HD2  LEU  24          3HD2      LEU  24   3.027  -1.844   7.864
  162   3HD2  LEU  24          2HD2      LEU  24   2.675  -0.353   8.722
  163    H    TYR  25           H        TYR  25   0.141  -5.358   7.717
  164    HA   TYR  25           HA       TYR  25   0.102  -7.797   9.213
  165   1HB   TYR  25          2HB       TYR  25  -1.120  -7.162   6.474
  166   2HB   TYR  25          1HB       TYR  25  -1.435  -8.627   7.246
  167    HD1  TYR  25           HD1      TYR  25  -1.440  -6.539  10.056
  168    HD2  TYR  25           HD2      TYR  25  -3.746  -7.482   6.597
  169    HE1  TYR  25           HE1      TYR  25  -3.466  -5.793  11.189
  170    HE2  TYR  25           HE2      TYR  25  -5.773  -6.730   7.742
  171    HH   TYR  25           HH       TYR  25  -6.077  -6.368  10.951
  172    HA   PRO  26           HA       PRO  26   3.400  -9.761   7.763
  173   1HB   PRO  26          2HB       PRO  26   2.874 -12.478   7.788
  174   2HB   PRO  26          1HB       PRO  26   2.913 -11.519   9.270
  175   1HG   PRO  26          2HG       PRO  26   0.461 -12.242   7.566
  176   2HG   PRO  26          1HG       PRO  26   0.662 -12.442   9.307
  177   1HD   PRO  26          2HD       PRO  26  -0.616 -10.248   8.345
  178   2HD   PRO  26          1HD       PRO  26   0.487 -10.079   9.730
  179    H    SER  27           H        SER  27   0.771 -10.195   5.872
  180    HA   SER  27           HA       SER  27   2.435 -11.021   3.499
  181   1HB   SER  27          2HB       SER  27   0.238 -11.760   2.511
  182   2HB   SER  27          1HB       SER  27   0.677 -12.665   3.967
  183    HG   SER  27           HG       SER  27  -1.404 -10.919   3.610
  184    H    GLY  28           H        GLY  28   1.374  -8.371   4.840
  185   1HA   GLY  28          2HA       GLY  28   1.185  -6.199   3.954
  186   2HA   GLY  28          1HA       GLY  28   1.470  -6.932   2.381
  187    H    CYS  29           H        CYS  29   0.097  -6.697   1.089
  188    HA   CYS  29           HA       CYS  29  -2.252  -5.446   1.285
  189   1HB   CYS  29          2HB       CYS  29  -0.915  -6.322  -0.816
  190   2HB   CYS  29          1HB       CYS  29  -2.133  -7.579  -0.787
  191    HA   PRO  30           HA       PRO  30  -4.814  -8.699   3.102
  192   1HB   PRO  30          2HB       PRO  30  -6.836  -7.065   3.970
  193   2HB   PRO  30          1HB       PRO  30  -5.303  -7.266   4.823
  194   1HG   PRO  30          2HG       PRO  30  -6.171  -4.936   3.091
  195   2HG   PRO  30          1HG       PRO  30  -5.127  -4.968   4.497
  196   1HD   PRO  30          2HD       PRO  30  -4.325  -4.939   1.798
  197   2HD   PRO  30          1HD       PRO  30  -3.280  -5.273   3.205
  198    H    SER  31           H        SER  31  -6.928  -9.371   2.779
  199    HA   SER  31           HA       SER  31  -7.631  -9.405   0.046
  200   1HB   SER  31          2HB       SER  31  -9.122 -10.733   2.442
  201   2HB   SER  31          1HB       SER  31  -9.291 -11.244   0.757
  202    HG   SER  31           HG       SER  31  -7.620 -12.445   1.175
  203    H    GLY  32           H        GLY  32  -8.230  -7.680  -0.477
  204   1HA   GLY  32          2HA       GLY  32 -10.696  -6.702  -0.879
  205   2HA   GLY  32          1HA       GLY  32 -10.356  -6.071   0.748
  206    H    TRP  33           H        TRP  33  -7.345  -6.466  -0.658
  207    HA   TRP  33           HA       TRP  33  -7.334  -3.774  -1.796
  208   1HB   TRP  33          2HB       TRP  33  -5.401  -5.359   0.033
  209   2HB   TRP  33          1HB       TRP  33  -4.837  -3.967  -0.853
  210    HD1  TRP  33           HD1      TRP  33  -7.989  -4.587   1.469
  211    HE1  TRP  33           HE1      TRP  33  -8.171  -2.451   2.770
  212    HE3  TRP  33           HE3      TRP  33  -4.052  -2.104  -0.378
  213    HZ2  TRP  33           HZ2      TRP  33  -6.789   0.131   3.066
  214    HZ3  TRP  33           HZ3      TRP  33  -3.482   0.131   0.340
  215    HH2  TRP  33           HH2      TRP  33  -4.814   1.281   2.047
  216    H    HIS  34           H        HIS  34  -4.857  -4.159  -2.957
  217    HA   HIS  34           HA       HIS  34  -5.327  -6.478  -4.647
  218   1HB   HIS  34          2HB       HIS  34  -4.804  -3.640  -5.550
  219   2HB   HIS  34          1HB       HIS  34  -4.705  -4.992  -6.677
  220    HD1  HIS  34           HD1      HIS  34  -7.384  -6.097  -4.814
  221    HD2  HIS  34           HD2      HIS  34  -7.010  -2.850  -7.255
  222    HE1  HIS  34           HE1      HIS  34  -9.662  -5.474  -5.498
  223    H    ASN  35           H        ASN  35  -2.990  -4.122  -4.809
  224    HA   ASN  35           HA       ASN  35  -0.629  -4.727  -3.853
  225   1HB   ASN  35          2HB       ASN  35   0.590  -6.266  -5.228
  226   2HB   ASN  35          1HB       ASN  35  -0.834  -7.105  -4.656
  227   1HD2  ASN  35          2HD2      ASN  35  -2.167  -7.456  -7.945
  228   2HD2  ASN  35          1HD2      ASN  35  -2.487  -7.606  -6.277
  229    H    CYS  36           H        CYS  36   1.090  -3.695  -4.769
  230    HA   CYS  36           HA       CYS  36   0.870  -2.537  -7.473
  231   1HB   CYS  36          2HB       CYS  36   0.975  -0.265  -6.775
  232   2HB   CYS  36          1HB       CYS  36  -0.370  -0.981  -5.930
  233    H    LYS  37           H        LYS  37   2.602  -2.297  -4.432
  234    HA   LYS  37           HA       LYS  37   5.177  -2.003  -5.757
  235   1HB   LYS  37          2HB       LYS  37   4.265  -2.023  -2.886
  236   2HB   LYS  37          1HB       LYS  37   5.941  -1.913  -3.191
  237   1HG   LYS  37          2HG       LYS  37   3.974   0.144  -4.222
  238   2HG   LYS  37          1HG       LYS  37   4.860   0.325  -2.740
  239   1HD   LYS  37          2HD       LYS  37   6.139   1.567  -4.182
  240   2HD   LYS  37          1HD       LYS  37   7.015   0.085  -3.989
  241   1HE   LYS  37          2HE       LYS  37   6.748  -0.557  -6.145
  242   2HE   LYS  37          1HE       LYS  37   5.130   0.093  -6.285
  243   1HZ   LYS  37          1HZ       LYS  37   6.958   2.274  -5.997
  244   2HZ   LYS  37          3HZ       LYS  37   7.479   1.190  -7.230
  245   3HZ   LYS  37          2HZ       LYS  37   5.980   1.847  -7.305
  246    H    ALA  38           H        ALA  38   5.087  -4.017  -6.737
  247    HA   ALA  38           HA       ALA  38   5.267  -6.460  -5.133
  248   1HB   ALA  38          1HB       ALA  38   4.424  -6.500  -7.509
  249   2HB   ALA  38          3HB       ALA  38   6.006  -5.961  -8.065
  250   3HB   ALA  38          2HB       ALA  38   5.830  -7.538  -7.320
  251    H    HIS  39           H        HIS  39   7.260  -3.984  -5.256
  252    HA   HIS  39           HA       HIS  39   9.765  -5.611  -5.288
  253   1HB   HIS  39          2HB       HIS  39   9.336  -2.629  -5.782
  254   2HB   HIS  39          1HB       HIS  39  10.924  -3.341  -5.556
  255    HD1  HIS  39           HD1      HIS  39  11.171  -5.572  -7.278
  256    HD2  HIS  39           HD2      HIS  39   8.618  -2.592  -8.439
  257    HE1  HIS  39           HE1      HIS  39  10.845  -5.832  -9.707
  258    H    GLY  40           H        GLY  40   8.498  -2.796  -3.438
  259   1HA   GLY  40          2HA       GLY  40   9.768  -3.991  -1.053
  260   2HA   GLY  40          1HA       GLY  40  10.178  -2.333  -1.517
  261    HA   PRO  41           HA       PRO  41  10.312  -1.229   0.229
  262   1HB   PRO  41          2HB       PRO  41   9.948  -0.387   2.753
  263   2HB   PRO  41          1HB       PRO  41   9.133   0.444   1.422
  264   1HG   PRO  41          2HG       PRO  41   7.963  -1.776   3.202
  265   2HG   PRO  41          1HG       PRO  41   7.313  -0.172   2.848
  266   1HD   PRO  41          2HD       PRO  41   6.540  -2.386   1.372
  267   2HD   PRO  41          1HD       PRO  41   6.666  -0.775   0.635
  268    H    THR  42           H        THR  42  11.693  -1.612   2.399
  269    HA   THR  42           HA       THR  42  11.973  -4.519   2.588
  270    HB   THR  42           HB       THR  42  14.180  -3.630   3.767
  271    HG1  THR  42           HG1      THR  42  14.018  -1.551   4.117
  272   1HG2  THR  42          2HG2      THR  42  13.511  -2.526   0.955
  273   2HG2  THR  42          1HG2      THR  42  15.125  -2.830   1.580
  274   3HG2  THR  42          3HG2      THR  42  14.054  -4.174   1.225
  275    H    ILE  43           H        ILE  43  10.091  -2.445   4.078
  276    HA   ILE  43           HA       ILE  43  10.027  -3.949   6.617
  277    HB   ILE  43           HB       ILE  43   9.737  -1.654   7.833
  278   1HG1  ILE  43          2HG1      ILE  43  11.162  -0.623   5.328
  279   2HG1  ILE  43          1HG1      ILE  43   9.488  -0.281   5.709
  280   1HG2  ILE  43          3HG2      ILE  43  11.761  -3.085   8.097
  281   2HG2  ILE  43          2HG2      ILE  43  12.476  -2.365   6.669
  282   3HG2  ILE  43          1HG2      ILE  43  12.218  -1.400   8.109
  283   1HD1  ILE  43          3HD1      ILE  43  10.178   0.846   7.815
  284   2HD1  ILE  43          2HD1      ILE  43  11.868   0.548   7.433
  285   3HD1  ILE  43          1HD1      ILE  43  10.910   1.600   6.409
  286    H    GLY  44           H        GLY  44   8.036  -4.807   6.279
  287   1HA   GLY  44          2HA       GLY  44   5.629  -4.755   6.415
  288   2HA   GLY  44          1HA       GLY  44   5.685  -2.989   6.270
  289    H    TRP  45           H        TRP  45   3.888  -4.285   4.611
  290    HA   TRP  45           HA       TRP  45   5.284  -4.474   1.958
  291   1HB   TRP  45          2HB       TRP  45   2.492  -5.238   2.613
  292   2HB   TRP  45          1HB       TRP  45   3.346  -5.654   1.154
  293    HD1  TRP  45           HD1      TRP  45   3.690  -6.578   5.034
  294    HE1  TRP  45           HE1      TRP  45   4.304  -9.044   4.987
  295    HE3  TRP  45           HE3      TRP  45   4.052  -7.393   0.061
  296    HZ2  TRP  45           HZ2      TRP  45   4.872 -11.132   3.190
  297    HZ3  TRP  45           HZ3      TRP  45   4.637  -9.634  -0.811
  298    HH2  TRP  45           HH2      TRP  45   5.051 -11.496   0.749
  299    H    CYS  46           H        CYS  46   4.424  -3.280   0.166
  300    HA   CYS  46           HA       CYS  46   2.607  -1.032   0.973
  301   1HB   CYS  46          2HB       CYS  46   4.981  -1.264  -0.796
  302   2HB   CYS  46          1HB       CYS  46   3.743  -0.157  -1.279
  303    H    CYS  47           H        CYS  47   0.709  -0.899   0.033
  304    HA   CYS  47           HA       CYS  47   0.233  -2.064  -2.596
  305   1HB   CYS  47          2HB       CYS  47  -0.146  -3.874  -0.753
  306   2HB   CYS  47          1HB       CYS  47  -1.498  -2.908  -0.219
  307    H    LYS  48           H        LYS  48  -2.459  -2.051  -2.663
  308    HA   LYS  48           HA       LYS  48  -3.413   0.560  -1.745
  309   1HB   LYS  48          2HB       LYS  48  -3.926   1.320  -4.058
  310   2HB   LYS  48          1HB       LYS  48  -2.200   1.068  -3.918
  311   1HG   LYS  48          2HG       LYS  48  -2.484  -1.193  -5.027
  312   2HG   LYS  48          1HG       LYS  48  -4.200  -0.847  -5.214
  313   1HD   LYS  48          2HD       LYS  48  -3.658   1.200  -6.518
  314   2HD   LYS  48          1HD       LYS  48  -1.934   0.864  -6.350
  315   1HE   LYS  48          2HE       LYS  48  -2.278  -1.302  -7.601
  316   2HE   LYS  48          1HE       LYS  48  -3.991  -0.930  -7.760
  317   1HZ   LYS  48          1HZ       LYS  48  -2.462   1.290  -8.683
  318   2HZ   LYS  48          3HZ       LYS  48  -1.903  -0.092  -9.459
  319   3HZ   LYS  48          2HZ       LYS  48  -3.543   0.314  -9.562
  320    H    GLN  49           H        GLN  49  -5.807   0.543  -2.171
  321    HA   GLN  49           HA       GLN  49  -6.838  -1.922  -1.556
  322   1HB   GLN  49          2HB       GLN  49  -7.441   0.780  -1.221
  323   2HB   GLN  49          1HB       GLN  49  -8.553   0.326  -2.513
  324   1HG   GLN  49          2HG       GLN  49  -9.171  -1.568  -1.319
  325   2HG   GLN  49          1HG       GLN  49  -8.089  -1.181   0.011
  326   1HE2  GLN  49          2HE2      GLN  49 -11.530   0.068   0.886
  327   2HE2  GLN  49          1HE2      GLN  49 -10.989  -1.443   0.321
   
  No H/Q in entry =         327
  Start of MODEL           5
 Raw file had  333 H/Q atoms
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1  -3.044   5.065   8.902
    2   2H    GLY   1          3H        GLY   1  -4.199   3.837   8.708
    3   3H    GLY   1          2H        GLY   1  -3.264   3.907  10.128
    4   1HA   GLY   1          2HA       GLY   1  -1.663   2.670   9.190
    5   2HA   GLY   1          1HA       GLY   1  -2.639   2.586   7.703
    6    H    VAL   2           H        VAL   2  -0.016   2.802   7.121
    7    HA   VAL   2           HA       VAL   2   0.612   5.703   6.880
    8    HB   VAL   2           HB       VAL   2   2.364   3.385   6.017
    9   1HG1  VAL   2          3HG1      VAL   2   3.054   6.227   6.868
   10   2HG1  VAL   2          2HG1      VAL   2   4.217   4.994   6.427
   11   3HG1  VAL   2          1HG1      VAL   2   3.088   5.585   5.229
   12   1HG2  VAL   2          1HG2      VAL   2   2.295   4.599   8.820
   13   2HG2  VAL   2          3HG2      VAL   2   1.832   2.954   8.415
   14   3HG2  VAL   2          2HG2      VAL   2   3.495   3.460   8.239
   15    H    SER   3           H        SER   3   0.809   6.646   4.807
   16    HA   SER   3           HA       SER   3  -0.619   5.253   2.675
   17   1HB   SER   3          2HB       SER   3   0.889   7.899   2.280
   18   2HB   SER   3          1HB       SER   3  -0.619   7.371   1.534
   19    HG   SER   3           HG       SER   3  -0.555   8.898   3.532
   20    H    CYS   4           H        CYS   4   0.491   5.090   0.491
   21    HA   CYS   4           HA       CYS   4   3.448   4.873   0.586
   22   1HB   CYS   4          2HB       CYS   4   2.726   2.584   1.132
   23   2HB   CYS   4          1HB       CYS   4   1.608   2.575  -0.216
   24    H    LEU   5           H        LEU   5   4.278   4.370  -1.709
   25    HA   LEU   5           HA       LEU   5   2.511   5.668  -3.723
   26   1HB   LEU   5          2HB       LEU   5   4.231   7.259  -3.344
   27   2HB   LEU   5          1HB       LEU   5   5.411   6.032  -2.937
   28    HG   LEU   5           HG       LEU   5   5.528   5.329  -5.258
   29   1HD1  LEU   5          3HD1      LEU   5   3.235   6.023  -6.005
   30   2HD1  LEU   5          2HD1      LEU   5   3.671   7.705  -5.813
   31   3HD1  LEU   5          1HD1      LEU   5   4.441   6.729  -7.051
   32   1HD2  LEU   5          1HD2      LEU   5   7.093   7.077  -4.502
   33   2HD2  LEU   5          3HD2      LEU   5   6.656   7.350  -6.179
   34   3HD2  LEU   5          2HD2      LEU   5   5.920   8.323  -4.914
   35    H    CYS   6           H        CYS   6   2.138   4.410  -5.501
   36    HA   CYS   6           HA       CYS   6   3.577   1.827  -5.665
   37   1HB   CYS   6          2HB       CYS   6   1.187   2.803  -7.173
   38   2HB   CYS   6          1HB       CYS   6   1.864   1.212  -7.236
   39    H    ASP   7           H        ASP   7   4.557   1.127  -7.658
   40    HA   ASP   7           HA       ASP   7   5.970   3.140  -9.094
   41   1HB   ASP   7          2HB       ASP   7   5.433   0.219  -9.807
   42   2HB   ASP   7          1HB       ASP   7   6.626   1.242 -10.595
   43    H    SER   8           H        SER   8   2.876   2.043  -9.512
   44    HA   SER   8           HA       SER   8   2.584   2.817 -12.347
   45   1HB   SER   8          2HB       SER   8   0.290   2.146 -10.462
   46   2HB   SER   8          1HB       SER   8   0.383   1.898 -12.210
   47    HG   SER   8           HG       SER   8   1.273   0.019 -11.770
   48    H    ASP   9           H        ASP   9   2.814   4.506  -9.567
   49    HA   ASP   9           HA       ASP   9   0.760   6.523 -10.286
   50   1HB   ASP   9          2HB       ASP   9   2.418   6.230  -7.786
   51   2HB   ASP   9          1HB       ASP   9   1.069   7.323  -7.961
   52    H    GLY  10           H        GLY  10   1.418   8.529 -11.022
   53   1HA   GLY  10          2HA       GLY  10   4.048   9.589 -10.502
   54   2HA   GLY  10          1HA       GLY  10   3.783   9.098 -12.184
   55    HA   PRO  11           HA       PRO  11   0.614  12.529 -11.650
   56   1HB   PRO  11          2HB       PRO  11  -0.235  13.447  -9.286
   57   2HB   PRO  11          1HB       PRO  11  -0.696  11.815  -9.798
   58   1HG   PRO  11          2HG       PRO  11   1.687  12.618  -8.028
   59   2HG   PRO  11          1HG       PRO  11   0.428  11.441  -7.638
   60   1HD   PRO  11          2HD       PRO  11   2.843  10.668  -8.765
   61   2HD   PRO  11          1HD       PRO  11   1.334   9.810  -9.154
   62    H    SER  12           H        SER  12   1.089  14.667 -12.170
   63    HA   SER  12           HA       SER  12   3.633  15.720 -11.143
   64   1HB   SER  12          2HB       SER  12   3.084  17.489 -12.884
   65   2HB   SER  12          1HB       SER  12   3.341  15.807 -13.425
   66    HG   SER  12           HG       SER  12   0.870  17.053 -12.753
   67    H    VAL  13           H        VAL  13   3.214  16.226  -9.255
   68    HA   VAL  13           HA       VAL  13   1.907  18.783  -8.610
   69    HB   VAL  13           HB       VAL  13   0.071  17.079  -8.350
   70   1HG1  VAL  13          2HG1      VAL  13   1.471  15.096  -7.883
   71   2HG1  VAL  13          1HG1      VAL  13   1.909  15.729  -6.311
   72   3HG1  VAL  13          3HG1      VAL  13   0.250  15.278  -6.642
   73   1HG2  VAL  13          1HG2      VAL  13   0.012  19.001  -6.750
   74   2HG2  VAL  13          3HG2      VAL  13  -0.643  17.537  -6.046
   75   3HG2  VAL  13          2HG2      VAL  13   0.950  18.067  -5.586
   76    H    ARG  14           H        ARG  14   2.336  19.202  -6.143
   77    HA   ARG  14           HA       ARG  14   4.908  18.028  -5.224
   78   1HB   ARG  14          2HB       ARG  14   4.203  21.045  -5.311
   79   2HB   ARG  14          1HB       ARG  14   5.704  20.382  -4.689
   80   1HG   ARG  14          2HG       ARG  14   6.497  19.770  -6.862
   81   2HG   ARG  14          1HG       ARG  14   4.909  19.794  -7.573
   82   1HD   ARG  14          2HD       ARG  14   6.062  21.730  -8.406
   83   2HD   ARG  14          1HD       ARG  14   4.834  22.300  -7.290
   84    HE   ARG  14           HE       ARG  14   6.956  22.207  -5.608
   85   1HH1  ARG  14          1HH2      ARG  14   8.735  21.990  -7.900
   86   2HH1  ARG  14          2HH2      ARG  14   9.170  23.611  -8.278
   87   1HH2  ARG  14          2HH1      ARG  14   6.398  24.812  -6.384
   88   2HH2  ARG  14          1HH1      ARG  14   7.724  25.364  -7.333
   89    H    GLY  15           H        GLY  15   5.076  18.069  -2.924
   90   1HA   GLY  15          2HA       GLY  15   4.169  18.735  -0.720
   91   2HA   GLY  15          1HA       GLY  15   2.577  18.879  -1.466
   92    H    ASN  16           H        ASN  16   2.966  16.424  -2.976
   93    HA   ASN  16           HA       ASN  16   3.264  14.250  -1.085
   94   1HB   ASN  16          2HB       ASN  16   0.953  14.791  -0.465
   95   2HB   ASN  16          1HB       ASN  16   0.491  14.970  -2.151
   96   1HD2  ASN  16          2HD2      ASN  16   0.451  11.250  -0.664
   97   2HD2  ASN  16          1HD2      ASN  16   1.047  12.516   0.309
   98    H    THR  17           H        THR  17   3.180  12.284  -2.056
   99    HA   THR  17           HA       THR  17   2.653  12.003  -4.878
  100    HB   THR  17           HB       THR  17   5.509  11.412  -3.889
  101    HG1  THR  17           HG1      THR  17   4.283  13.759  -4.879
  102   1HG2  THR  17          1HG2      THR  17   4.276  11.890  -6.666
  103   2HG2  THR  17          3HG2      THR  17   5.945  11.419  -6.361
  104   3HG2  THR  17          2HG2      THR  17   4.636  10.291  -6.033
  105    H    LEU  18           H        LEU  18   1.640  10.967  -2.627
  106    HA   LEU  18           HA       LEU  18   1.934   8.080  -3.169
  107   1HB   LEU  18          2HB       LEU  18   2.310   7.411  -0.878
  108   2HB   LEU  18          1HB       LEU  18   3.635   8.375  -1.453
  109    HG   LEU  18           HG       LEU  18   1.418   9.416   0.309
  110   1HD1  LEU  18          3HD1      LEU  18   2.752   7.514   1.369
  111   2HD1  LEU  18          2HD1      LEU  18   4.228   8.367   1.011
  112   3HD1  LEU  18          1HD1      LEU  18   3.099   9.033   2.172
  113   1HD2  LEU  18          3HD2      LEU  18   4.263  10.399  -0.287
  114   2HD2  LEU  18          2HD2      LEU  18   2.788  11.131  -0.877
  115   3HD2  LEU  18          1HD2      LEU  18   3.152  11.177   0.829
  116    H    SER  19           H        SER  19   0.051   7.227  -3.289
  117    HA   SER  19           HA       SER  19  -2.241   8.248  -1.656
  118   1HB   SER  19          2HB       SER  19  -2.458   9.196  -3.937
  119   2HB   SER  19          1HB       SER  19  -2.273   7.593  -4.657
  120    HG   SER  19           HG       SER  19  -4.180   7.123  -3.088
  121    H    GLY  20           H        GLY  20  -0.310   5.708  -2.126
  122   1HA   GLY  20          2HA       GLY  20  -2.313   3.652  -2.108
  123   2HA   GLY  20          1HA       GLY  20  -0.561   3.384  -2.220
  124    H    THR  21           H        THR  21  -1.010   1.808  -0.230
  125    HA   THR  21           HA       THR  21  -0.565   3.339   2.141
  126    HB   THR  21           HB       THR  21  -2.852   1.319   1.852
  127    HG1  THR  21           HG1      THR  21  -2.709   4.025   1.511
  128   1HG2  THR  21          2HG2      THR  21  -1.896   1.397   4.238
  129   2HG2  THR  21          1HG2      THR  21  -2.237   3.125   4.237
  130   3HG2  THR  21          3HG2      THR  21  -3.547   1.969   4.125
  131    H    LEU  22           H        LEU  22   0.140   2.058   3.644
  132    HA   LEU  22           HA       LEU  22   1.479  -0.433   2.671
  133   1HB   LEU  22          2HB       LEU  22   3.024   1.215   3.092
  134   2HB   LEU  22          1HB       LEU  22   2.404   1.657   4.663
  135    HG   LEU  22           HG       LEU  22   3.217  -1.194   4.647
  136   1HD1  LEU  22          3HD1      LEU  22   5.331   0.757   3.631
  137   2HD1  LEU  22          2HD1      LEU  22   5.618  -0.923   4.053
  138   3HD1  LEU  22          1HD1      LEU  22   4.618  -0.521   2.665
  139   1HD2  LEU  22          1HD2      LEU  22   3.199   0.358   6.616
  140   2HD2  LEU  22          3HD2      LEU  22   4.741  -0.463   6.424
  141   3HD2  LEU  22          2HD2      LEU  22   4.570   1.213   5.932
  142    H    TRP  23           H        TRP  23   1.415  -2.105   3.761
  143    HA   TRP  23           HA       TRP  23  -0.412  -2.373   6.094
  144   1HB   TRP  23          2HB       TRP  23   0.076  -4.111   3.620
  145   2HB   TRP  23          1HB       TRP  23  -0.641  -4.835   5.057
  146    HD1  TRP  23           HD1      TRP  23  -1.585  -2.465   2.116
  147    HE1  TRP  23           HE1      TRP  23  -3.942  -1.729   2.562
  148    HE3  TRP  23           HE3      TRP  23  -2.218  -4.319   6.762
  149    HZ2  TRP  23           HZ2      TRP  23  -5.937  -1.833   4.603
  150    HZ3  TRP  23           HZ3      TRP  23  -4.357  -3.919   7.959
  151    HH2  TRP  23           HH2      TRP  23  -6.197  -2.707   6.886
  152    H    LEU  24           H        LEU  24   0.447  -3.142   7.837
  153    HA   LEU  24           HA       LEU  24   3.309  -3.791   7.913
  154   1HB   LEU  24          2HB       LEU  24   1.514  -3.889  10.342
  155   2HB   LEU  24          1HB       LEU  24   3.192  -3.419  10.219
  156    HG   LEU  24           HG       LEU  24   0.862  -1.847   9.137
  157   1HD1  LEU  24          3HD1      LEU  24   2.699  -1.344  11.535
  158   2HD1  LEU  24          2HD1      LEU  24   1.487  -0.210  10.973
  159   3HD1  LEU  24          1HD1      LEU  24   0.997  -1.766  11.619
  160   1HD2  LEU  24          1HD2      LEU  24   3.833  -1.143   9.234
  161   2HD2  LEU  24          3HD2      LEU  24   2.910  -1.492   7.784
  162   3HD2  LEU  24          2HD2      LEU  24   2.568  -0.048   8.710
  163    H    TYR  25           H        TYR  25   0.436  -5.189   7.691
  164    HA   TYR  25           HA       TYR  25   0.558  -7.672   9.066
  165   1HB   TYR  25          2HB       TYR  25  -0.670  -7.013   6.358
  166   2HB   TYR  25          1HB       TYR  25  -1.058  -8.446   7.187
  167    HD1  TYR  25           HD1      TYR  25  -0.730  -5.872   9.697
  168    HD2  TYR  25           HD2      TYR  25  -3.362  -7.538   6.780
  169    HE1  TYR  25           HE1      TYR  25  -2.643  -4.915  10.847
  170    HE2  TYR  25           HE2      TYR  25  -5.266  -6.581   7.938
  171    HH   TYR  25           HH       TYR  25  -5.883  -5.648  10.098
  172    HA   PRO  26           HA       PRO  26   4.008  -9.291   7.461
  173   1HB   PRO  26          2HB       PRO  26   3.751 -12.038   7.601
  174   2HB   PRO  26          1HB       PRO  26   3.793 -11.030   9.051
  175   1HG   PRO  26          2HG       PRO  26   1.314 -12.021   7.529
  176   2HG   PRO  26          1HG       PRO  26   1.643 -12.170   9.260
  177   1HD   PRO  26          2HD       PRO  26   0.107 -10.117   8.361
  178   2HD   PRO  26          1HD       PRO  26   1.299  -9.813   9.645
  179    H    SER  27           H        SER  27   1.325  -9.952   5.733
  180    HA   SER  27           HA       SER  27   2.902 -10.768   3.306
  181   1HB   SER  27          2HB       SER  27   0.698 -11.641   2.486
  182   2HB   SER  27          1HB       SER  27   1.306 -12.487   3.920
  183    HG   SER  27           HG       SER  27  -0.918 -10.901   3.713
  184    H    GLY  28           H        GLY  28   1.715  -8.111   4.581
  185   1HA   GLY  28          2HA       GLY  28   1.356  -6.021   3.616
  186   2HA   GLY  28          1HA       GLY  28   1.627  -6.791   2.055
  187    H    CYS  29           H        CYS  29   0.175  -6.658   0.816
  188    HA   CYS  29           HA       CYS  29  -2.199  -5.480   1.091
  189   1HB   CYS  29          2HB       CYS  29  -0.981  -6.492  -1.030
  190   2HB   CYS  29          1HB       CYS  29  -2.196  -7.740  -0.848
  191    HA   PRO  30           HA       PRO  30  -4.585  -8.667   3.232
  192   1HB   PRO  30          2HB       PRO  30  -6.538  -7.079   4.204
  193   2HB   PRO  30          1HB       PRO  30  -4.919  -7.147   4.907
  194   1HG   PRO  30          2HG       PRO  30  -6.068  -4.974   3.127
  195   2HG   PRO  30          1HG       PRO  30  -4.934  -4.884   4.460
  196   1HD   PRO  30          2HD       PRO  30  -4.313  -4.984   1.693
  197   2HD   PRO  30          1HD       PRO  30  -3.144  -5.152   3.032
  198    H    SER  31           H        SER  31  -6.660  -9.446   2.842
  199    HA   SER  31           HA       SER  31  -7.432  -9.463   0.155
  200   1HB   SER  31          2HB       SER  31  -9.339 -11.043   1.246
  201   2HB   SER  31          1HB       SER  31  -7.675 -11.586   1.518
  202    HG   SER  31           HG       SER  31  -9.041  -9.699   3.163
  203    H    GLY  32           H        GLY  32  -8.387  -7.981  -0.654
  204   1HA   GLY  32          2HA       GLY  32 -10.712  -6.873  -0.788
  205   2HA   GLY  32          1HA       GLY  32 -10.257  -6.221   0.805
  206    H    TRP  33           H        TRP  33  -7.330  -6.587  -0.650
  207    HA   TRP  33           HA       TRP  33  -7.384  -3.949  -1.919
  208   1HB   TRP  33          2HB       TRP  33  -5.350  -5.409  -0.107
  209   2HB   TRP  33          1HB       TRP  33  -4.886  -3.984  -0.979
  210    HD1  TRP  33           HD1      TRP  33  -7.969  -4.774   1.409
  211    HE1  TRP  33           HE1      TRP  33  -8.175  -2.697   2.796
  212    HE3  TRP  33           HE3      TRP  33  -4.134  -2.098  -0.411
  213    HZ2  TRP  33           HZ2      TRP  33  -6.881  -0.114   3.178
  214    HZ3  TRP  33           HZ3      TRP  33  -3.640   0.116   0.400
  215    HH2  TRP  33           HH2      TRP  33  -4.978   1.145   2.190
  216    H    HIS  34           H        HIS  34  -4.892  -4.295  -2.983
  217    HA   HIS  34           HA       HIS  34  -5.194  -6.579  -4.751
  218   1HB   HIS  34          2HB       HIS  34  -4.813  -3.691  -5.543
  219   2HB   HIS  34          1HB       HIS  34  -4.261  -4.941  -6.661
  220    HD1  HIS  34           HD1      HIS  34  -6.178  -6.324  -7.778
  221    HD2  HIS  34           HD2      HIS  34  -7.587  -3.527  -5.164
  222    HE1  HIS  34           HE1      HIS  34  -8.604  -6.191  -8.148
  223    H    ASN  35           H        ASN  35  -2.877  -4.231  -5.130
  224    HA   ASN  35           HA       ASN  35  -0.587  -4.661  -3.898
  225   1HB   ASN  35          2HB       ASN  35   0.730  -6.324  -5.151
  226   2HB   ASN  35          1HB       ASN  35  -0.651  -7.104  -4.395
  227   1HD2  ASN  35          2HD2      ASN  35  -2.108  -8.003  -7.515
  228   2HD2  ASN  35          1HD2      ASN  35  -2.338  -7.883  -5.824
  229    H    CYS  36           H        CYS  36   1.177  -3.693  -4.863
  230    HA   CYS  36           HA       CYS  36   0.976  -2.877  -7.703
  231   1HB   CYS  36          2HB       CYS  36   0.931  -0.543  -7.242
  232   2HB   CYS  36          1HB       CYS  36  -0.390  -1.261  -6.379
  233    H    LYS  37           H        LYS  37   2.634  -2.428  -4.639
  234    HA   LYS  37           HA       LYS  37   5.213  -2.082  -5.949
  235   1HB   LYS  37          2HB       LYS  37   4.265  -2.126  -3.091
  236   2HB   LYS  37          1HB       LYS  37   5.948  -1.908  -3.394
  237   1HG   LYS  37          2HG       LYS  37   3.665  -0.061  -4.255
  238   2HG   LYS  37          1HG       LYS  37   4.923   0.324  -3.104
  239   1HD   LYS  37          2HD       LYS  37   5.252   0.069  -6.111
  240   2HD   LYS  37          1HD       LYS  37   5.501   1.480  -5.099
  241   1HE   LYS  37          2HE       LYS  37   7.358   0.216  -3.930
  242   2HE   LYS  37          1HE       LYS  37   7.225  -0.989  -5.204
  243   1HZ   LYS  37          2HZ       LYS  37   7.347   1.583  -6.415
  244   2HZ   LYS  37          1HZ       LYS  37   8.660   1.392  -5.351
  245   3HZ   LYS  37          3HZ       LYS  37   8.282   0.325  -6.643
  246    H    ALA  38           H        ALA  38   5.203  -4.178  -6.896
  247    HA   ALA  38           HA       ALA  38   5.336  -6.618  -5.254
  248   1HB   ALA  38          2HB       ALA  38   4.375  -6.683  -7.588
  249   2HB   ALA  38          1HB       ALA  38   5.940  -6.196  -8.235
  250   3HB   ALA  38          3HB       ALA  38   5.767  -7.752  -7.452
  251    H    HIS  39           H        HIS  39   7.025  -4.949  -4.314
  252    HA   HIS  39           HA       HIS  39   9.680  -6.170  -4.736
  253   1HB   HIS  39          2HB       HIS  39   9.095  -3.206  -5.067
  254   2HB   HIS  39          1HB       HIS  39  10.693  -3.749  -4.574
  255    HD1  HIS  39           HD1      HIS  39  11.939  -5.217  -6.330
  256    HD2  HIS  39           HD2      HIS  39   8.451  -3.657  -7.777
  257    HE1  HIS  39           HE1      HIS  39  12.002  -5.498  -8.792
  258    H    GLY  40           H        GLY  40   7.975  -3.629  -2.833
  259   1HA   GLY  40          2HA       GLY  40   8.407  -4.938  -0.371
  260   2HA   GLY  40          1HA       GLY  40   9.693  -3.759  -0.644
  261    HA   PRO  41           HA       PRO  41  10.145  -2.003   0.325
  262   1HB   PRO  41          2HB       PRO  41  10.064  -0.670   2.687
  263   2HB   PRO  41          1HB       PRO  41   9.620   0.118   1.169
  264   1HG   PRO  41          2HG       PRO  41   7.749  -1.216   3.174
  265   2HG   PRO  41          1HG       PRO  41   7.637   0.426   2.535
  266   1HD   PRO  41          2HD       PRO  41   6.208  -1.616   1.361
  267   2HD   PRO  41          1HD       PRO  41   6.927  -0.341   0.359
  268    H    THR  42           H        THR  42  11.716  -2.736   1.854
  269    HA   THR  42           HA       THR  42  11.178  -5.391   2.760
  270    HB   THR  42           HB       THR  42  13.734  -4.939   3.503
  271    HG1  THR  42           HG1      THR  42  14.022  -2.853   3.346
  272   1HG2  THR  42          2HG2      THR  42  12.922  -4.382   0.579
  273   2HG2  THR  42          1HG2      THR  42  14.476  -4.983   1.126
  274   3HG2  THR  42          3HG2      THR  42  13.057  -6.010   1.211
  275    H    ILE  43           H        ILE  43   9.626  -3.443   4.183
  276    HA   ILE  43           HA       ILE  43  10.454  -4.200   6.956
  277    HB   ILE  43           HB       ILE  43   9.910  -1.869   7.786
  278   1HG1  ILE  43          2HG1      ILE  43   9.892  -1.153   4.816
  279   2HG1  ILE  43          1HG1      ILE  43   8.511  -1.073   5.896
  280   1HG2  ILE  43          2HG2      ILE  43  12.267  -2.585   7.416
  281   2HG2  ILE  43          1HG2      ILE  43  12.198  -2.030   5.757
  282   3HG2  ILE  43          3HG2      ILE  43  12.106  -0.880   7.076
  283   1HD1  ILE  43          3HD1      ILE  43   9.649   0.656   7.262
  284   2HD1  ILE  43          2HD1      ILE  43  11.015   0.633   6.158
  285   3HD1  ILE  43          1HD1      ILE  43   9.447   1.160   5.595
  286    H    GLY  44           H        GLY  44   7.960  -2.811   4.946
  287   1HA   GLY  44          2HA       GLY  44   5.827  -4.335   6.269
  288   2HA   GLY  44          1HA       GLY  44   5.648  -2.556   6.195
  289    H    TRP  45           H        TRP  45   3.907  -4.173   4.528
  290    HA   TRP  45           HA       TRP  45   5.280  -4.039   1.860
  291   1HB   TRP  45          2HB       TRP  45   2.553  -5.025   2.431
  292   2HB   TRP  45          1HB       TRP  45   3.434  -5.290   0.958
  293    HD1  TRP  45           HD1      TRP  45   3.924  -6.400   4.770
  294    HE1  TRP  45           HE1      TRP  45   4.706  -8.792   4.565
  295    HE3  TRP  45           HE3      TRP  45   4.198  -6.926  -0.251
  296    HZ2  TRP  45           HZ2      TRP  45   5.354 -10.746   2.663
  297    HZ3  TRP  45           HZ3      TRP  45   4.911  -9.067  -1.258
  298    HH2  TRP  45           HH2      TRP  45   5.502 -10.984   0.196
  299    H    CYS  46           H        CYS  46   4.315  -3.082   0.108
  300    HA   CYS  46           HA       CYS  46   2.537  -0.779   0.764
  301   1HB   CYS  46          2HB       CYS  46   4.797  -1.280  -1.067
  302   2HB   CYS  46          1HB       CYS  46   3.537  -0.272  -1.691
  303    H    CYS  47           H        CYS  47   0.471  -0.903   0.017
  304    HA   CYS  47           HA       CYS  47  -0.111  -2.080  -2.570
  305   1HB   CYS  47          2HB       CYS  47  -0.357  -3.937  -0.682
  306   2HB   CYS  47          1HB       CYS  47  -1.783  -3.048  -0.191
  307    H    LYS  48           H        LYS  48  -2.629  -2.094  -2.784
  308    HA   LYS  48           HA       LYS  48  -3.758   0.417  -1.655
  309   1HB   LYS  48          2HB       LYS  48  -3.537  -0.154  -4.681
  310   2HB   LYS  48          1HB       LYS  48  -4.351   1.234  -3.976
  311   1HG   LYS  48          2HG       LYS  48  -2.014   1.552  -2.698
  312   2HG   LYS  48          1HG       LYS  48  -1.366   0.604  -4.000
  313   1HD   LYS  48          2HD       LYS  48  -2.836   3.251  -4.233
  314   2HD   LYS  48          1HD       LYS  48  -1.103   3.027  -4.322
  315   1HE   LYS  48          2HE       LYS  48  -1.576   1.476  -6.343
  316   2HE   LYS  48          1HE       LYS  48  -3.184   2.203  -6.359
  317   1HZ   LYS  48          1HZ       LYS  48  -1.087   4.196  -6.081
  318   2HZ   LYS  48          3HZ       LYS  48  -0.843   3.308  -7.405
  319   3HZ   LYS  48          2HZ       LYS  48  -2.287   4.068  -7.277
  320    H    GLN  49           H        GLN  49  -6.102   0.410  -1.903
  321    HA   GLN  49           HA       GLN  49  -7.090  -2.112  -1.495
  322   1HB   GLN  49          2HB       GLN  49  -7.755   0.472  -0.772
  323   2HB   GLN  49          1HB       GLN  49  -8.931   0.181  -2.059
  324   1HG   GLN  49          2HG       GLN  49  -9.210  -2.055  -1.056
  325   2HG   GLN  49          1HG       GLN  49  -8.258  -1.476   0.291
  326   1HE2  GLN  49          2HE2      GLN  49 -11.994  -0.965   0.869
  327   2HE2  GLN  49          1HE2      GLN  49 -11.232  -2.268   0.077
   
  No H/Q in entry =         327
  Start of MODEL           6
 Raw file had  333 H/Q atoms
  Start of MODEL    6
    1   1H    GLY   1          3H        GLY   1  -3.620   4.806   8.151
    2   2H    GLY   1          2H        GLY   1  -4.742   3.585   7.803
    3   3H    GLY   1          1H        GLY   1  -3.997   3.653   9.334
    4   1HA   GLY   1          2HA       GLY   1  -2.310   2.381   8.620
    5   2HA   GLY   1          1HA       GLY   1  -3.069   2.321   7.009
    6    H    VAL   2           H        VAL   2  -0.269   2.577   7.056
    7    HA   VAL   2           HA       VAL   2   0.287   5.484   6.881
    8    HB   VAL   2           HB       VAL   2   2.171   3.322   5.972
    9   1HG1  VAL   2          3HG1      VAL   2   2.680   6.061   7.172
   10   2HG1  VAL   2          2HG1      VAL   2   3.924   4.925   6.681
   11   3HG1  VAL   2          1HG1      VAL   2   2.842   5.600   5.482
   12   1HG2  VAL   2          2HG2      VAL   2   1.845   4.159   8.893
   13   2HG2  VAL   2          1HG2      VAL   2   1.497   2.563   8.247
   14   3HG2  VAL   2          3HG2      VAL   2   3.142   3.146   8.282
   15    H    SER   3           H        SER   3   0.290   6.507   4.939
   16    HA   SER   3           HA       SER   3  -0.708   5.076   2.627
   17   1HB   SER   3          2HB       SER   3   0.486   7.885   2.623
   18   2HB   SER   3          1HB       SER   3  -0.722   7.241   1.513
   19    HG   SER   3           HG       SER   3  -2.059   8.068   2.947
   20    H    CYS   4           H        CYS   4   0.564   5.201   0.561
   21    HA   CYS   4           HA       CYS   4   3.478   5.463   0.720
   22   1HB   CYS   4          2HB       CYS   4   3.121   3.191   1.699
   23   2HB   CYS   4          1HB       CYS   4   2.243   2.698   0.269
   24    H    LEU   5           H        LEU   5   4.460   4.949  -1.559
   25    HA   LEU   5           HA       LEU   5   2.485   5.717  -3.596
   26   1HB   LEU   5          2HB       LEU   5   4.256   6.632  -4.696
   27   2HB   LEU   5          1HB       LEU   5   4.523   7.070  -3.053
   28    HG   LEU   5           HG       LEU   5   6.005   4.790  -3.120
   29   1HD1  LEU   5          3HD1      LEU   5   6.179   5.895  -5.980
   30   2HD1  LEU   5          2HD1      LEU   5   7.217   4.660  -5.291
   31   3HD1  LEU   5          1HD1      LEU   5   5.517   4.340  -5.533
   32   1HD2  LEU   5          2HD2      LEU   5   6.828   7.531  -4.157
   33   2HD2  LEU   5          1HD2      LEU   5   6.715   7.056  -2.460
   34   3HD2  LEU   5          3HD2      LEU   5   7.934   6.321  -3.500
   35    H    CYS   6           H        CYS   6   2.382   4.615  -5.466
   36    HA   CYS   6           HA       CYS   6   3.196   1.770  -5.331
   37   1HB   CYS   6          2HB       CYS   6   1.080   3.266  -6.847
   38   2HB   CYS   6          1HB       CYS   6   1.560   1.674  -7.351
   39    H    ASP   7           H        ASP   7   3.963   0.782  -7.374
   40    HA   ASP   7           HA       ASP   7   6.133   2.267  -8.502
   41   1HB   ASP   7          2HB       ASP   7   4.790  -0.409  -9.117
   42   2HB   ASP   7          1HB       ASP   7   6.049   0.199 -10.188
   43    H    SER   8           H        SER   8   2.904   2.023  -9.316
   44    HA   SER   8           HA       SER   8   3.052   2.905 -12.062
   45   1HB   SER   8          2HB       SER   8   0.754   3.494 -10.102
   46   2HB   SER   8          1HB       SER   8   0.643   3.309 -11.854
   47    HG   SER   8           HG       SER   8   0.591   1.208 -11.585
   48    H    ASP   9           H        ASP   9   3.171   4.338  -8.940
   49    HA   ASP   9           HA       ASP   9   3.024   7.121  -9.883
   50   1HB   ASP   9          2HB       ASP   9   3.746   6.226  -7.044
   51   2HB   ASP   9          1HB       ASP   9   2.937   7.694  -7.537
   52    H    GLY  10           H        GLY  10   4.791   6.407 -11.268
   53   1HA   GLY  10          2HA       GLY  10   7.376   5.670 -10.741
   54   2HA   GLY  10          1HA       GLY  10   7.046   6.975 -11.878
   55    HA   PRO  11           HA       PRO  11   8.018   8.319  -7.355
   56   1HB   PRO  11          2HB       PRO  11  10.504   7.584  -6.498
   57   2HB   PRO  11          1HB       PRO  11   9.139   6.467  -6.457
   58   1HG   PRO  11          2HG       PRO  11  11.261   6.754  -8.670
   59   2HG   PRO  11          1HG       PRO  11  10.779   5.278  -7.825
   60   1HD   PRO  11          2HD       PRO  11   9.659   5.913 -10.238
   61   2HD   PRO  11          1HD       PRO  11   8.666   5.164  -8.967
   62    H    SER  12           H        SER  12   9.741   9.870  -6.321
   63    HA   SER  12           HA       SER  12  11.267  11.372  -8.357
   64   1HB   SER  12          2HB       SER  12  10.146  13.536  -7.594
   65   2HB   SER  12          1HB       SER  12   8.961  12.429  -8.309
   66    HG   SER  12           HG       SER  12   9.211  13.294  -5.744
   67    H    VAL  13           H        VAL  13  12.867  12.815  -7.268
   68    HA   VAL  13           HA       VAL  13  13.686  11.637  -4.703
   69    HB   VAL  13           HB       VAL  13  15.495  13.269  -4.833
   70   1HG1  VAL  13          1HG1      VAL  13  15.095  11.499  -7.313
   71   2HG1  VAL  13          3HG1      VAL  13  16.660  12.123  -6.822
   72   3HG1  VAL  13          2HG1      VAL  13  15.803  11.000  -5.787
   73   1HG2  VAL  13          1HG2      VAL  13  14.397  14.005  -7.621
   74   2HG2  VAL  13          3HG2      VAL  13  14.517  15.095  -6.254
   75   3HG2  VAL  13          2HG2      VAL  13  15.963  14.489  -7.015
   76    H    ARG  14           H        ARG  14  11.853  12.171  -3.776
   77    HA   ARG  14           HA       ARG  14  10.757  13.228  -1.967
   78   1HB   ARG  14          2HB       ARG  14  12.955  14.614  -1.703
   79   2HB   ARG  14          1HB       ARG  14  12.234  15.782  -2.792
   80   1HG   ARG  14          2HG       ARG  14  10.372  16.173  -1.275
   81   2HG   ARG  14          1HG       ARG  14  11.055  14.997  -0.141
   82   1HD   ARG  14          2HD       ARG  14  13.095  16.371   0.059
   83   2HD   ARG  14          1HD       ARG  14  12.513  17.479  -1.178
   84    HE   ARG  14           HE       ARG  14  11.010  18.418   0.388
   85   1HH1  ARG  14          1HH2      ARG  14   9.424  16.789   1.710
   86   2HH1  ARG  14          2HH2      ARG  14  10.104  16.414   3.246
   87   1HH2  ARG  14          2HH1      ARG  14  13.325  17.411   2.107
   88   2HH2  ARG  14          1HH1      ARG  14  12.521  16.776   3.488
   89    H    GLY  15           H        GLY  15   9.016  14.927  -1.853
   90   1HA   GLY  15          2HA       GLY  15   7.207  16.122  -2.822
   91   2HA   GLY  15          1HA       GLY  15   8.170  16.269  -4.304
   92    H    ASN  16           H        ASN  16   8.137  13.177  -3.250
   93    HA   ASN  16           HA       ASN  16   6.616  12.200  -5.482
   94   1HB   ASN  16          2HB       ASN  16   7.000   9.946  -4.337
   95   2HB   ASN  16          1HB       ASN  16   8.465  10.886  -4.559
   96   1HD2  ASN  16          2HD2      ASN  16   7.374   9.971  -0.841
   97   2HD2  ASN  16          1HD2      ASN  16   6.566   9.309  -2.181
   98    H    THR  17           H        THR  17   4.688  11.138  -5.492
   99    HA   THR  17           HA       THR  17   2.745  12.004  -3.458
  100    HB   THR  17           HB       THR  17   2.130  10.566  -6.126
  101    HG1  THR  17           HG1      THR  17   3.334  12.968  -5.623
  102   1HG2  THR  17          1HG2      THR  17   0.188  11.138  -4.468
  103   2HG2  THR  17          3HG2      THR  17   0.672  12.819  -4.616
  104   3HG2  THR  17          2HG2      THR  17   0.082  11.949  -6.017
  105    H    LEU  18           H        LEU  18   1.208  10.363  -2.595
  106    HA   LEU  18           HA       LEU  18   2.042   7.556  -2.864
  107   1HB   LEU  18          2HB       LEU  18   2.233   7.316  -0.386
  108   2HB   LEU  18          1HB       LEU  18   3.540   8.199  -1.138
  109    HG   LEU  18           HG       LEU  18   1.144   9.538   0.158
  110   1HD1  LEU  18          3HD1      LEU  18   2.349   7.989   1.781
  111   2HD1  LEU  18          2HD1      LEU  18   3.861   8.767   1.396
  112   3HD1  LEU  18          1HD1      LEU  18   2.604   9.665   2.233
  113   1HD2  LEU  18          1HD2      LEU  18   4.036  10.481  -0.292
  114   2HD2  LEU  18          3HD2      LEU  18   2.671  11.052  -1.215
  115   3HD2  LEU  18          2HD2      LEU  18   2.785  11.435   0.477
  116    H    SER  19           H        SER  19   0.033   7.583  -3.828
  117    HA   SER  19           HA       SER  19  -2.446   7.944  -2.308
  118   1HB   SER  19          2HB       SER  19  -2.095   6.732  -5.086
  119   2HB   SER  19          1HB       SER  19  -3.579   7.398  -4.384
  120    HG   SER  19           HG       SER  19  -1.433   8.699  -5.461
  121    H    GLY  20           H        GLY  20  -0.320   5.489  -2.177
  122   1HA   GLY  20          2HA       GLY  20  -2.283   3.380  -2.067
  123   2HA   GLY  20          1HA       GLY  20  -0.545   3.130  -2.136
  124    H    THR  21           H        THR  21  -1.115   1.686  -0.186
  125    HA   THR  21           HA       THR  21  -0.544   3.164   2.185
  126    HB   THR  21           HB       THR  21  -2.839   1.166   2.093
  127    HG1  THR  21           HG1      THR  21  -2.764   3.858   1.512
  128   1HG2  THR  21          3HG2      THR  21  -1.776   1.487   4.360
  129   2HG2  THR  21          2HG2      THR  21  -2.120   3.209   4.234
  130   3HG2  THR  21          1HG2      THR  21  -3.435   2.051   4.302
  131    H    LEU  22           H        LEU  22   0.351   1.965   3.534
  132    HA   LEU  22           HA       LEU  22   1.472  -0.607   2.601
  133   1HB   LEU  22          2HB       LEU  22   3.135   0.969   2.955
  134   2HB   LEU  22          1HB       LEU  22   2.513   1.536   4.495
  135    HG   LEU  22           HG       LEU  22   3.250  -1.375   4.531
  136   1HD1  LEU  22          3HD1      LEU  22   5.425   0.682   3.973
  137   2HD1  LEU  22          2HD1      LEU  22   5.694  -1.008   4.372
  138   3HD1  LEU  22          1HD1      LEU  22   4.917  -0.576   2.858
  139   1HD2  LEU  22          2HD2      LEU  22   2.834   0.104   6.527
  140   2HD2  LEU  22          1HD2      LEU  22   4.440  -0.616   6.574
  141   3HD2  LEU  22          3HD2      LEU  22   4.242   1.055   6.090
  142    H    TRP  23           H        TRP  23   1.434  -2.266   3.697
  143    HA   TRP  23           HA       TRP  23  -0.309  -2.468   6.102
  144   1HB   TRP  23          2HB       TRP  23   0.013  -4.228   3.623
  145   2HB   TRP  23          1HB       TRP  23  -0.710  -4.903   5.087
  146    HD1  TRP  23           HD1      TRP  23  -1.536  -2.391   2.194
  147    HE1  TRP  23           HE1      TRP  23  -3.830  -1.535   2.685
  148    HE3  TRP  23           HE3      TRP  23  -2.289  -4.409   6.787
  149    HZ2  TRP  23           HZ2      TRP  23  -5.827  -1.590   4.709
  150    HZ3  TRP  23           HZ3      TRP  23  -4.413  -3.914   7.985
  151    HH2  TRP  23           HH2      TRP  23  -6.167  -2.553   6.959
  152    H    LEU  24           H        LEU  24   0.523  -3.312   7.792
  153    HA   LEU  24           HA       LEU  24   3.358  -4.062   7.870
  154   1HB   LEU  24          2HB       LEU  24   1.550  -4.117  10.302
  155   2HB   LEU  24          1HB       LEU  24   3.234  -3.671  10.197
  156    HG   LEU  24           HG       LEU  24   0.938  -2.059   9.080
  157   1HD1  LEU  24          1HD1      LEU  24   2.708  -1.578  11.531
  158   2HD1  LEU  24          3HD1      LEU  24   1.499  -0.449  10.957
  159   3HD1  LEU  24          2HD1      LEU  24   1.007  -2.015  11.573
  160   1HD2  LEU  24          2HD2      LEU  24   3.030  -1.734   7.802
  161   2HD2  LEU  24          1HD2      LEU  24   2.650  -0.280   8.709
  162   3HD2  LEU  24          3HD2      LEU  24   3.903  -1.369   9.277
  163    H    TYR  25           H        TYR  25   0.437  -5.369   7.597
  164    HA   TYR  25           HA       TYR  25   0.529  -7.872   8.974
  165   1HB   TYR  25          2HB       TYR  25  -0.756  -7.165   6.291
  166   2HB   TYR  25          1HB       TYR  25  -1.174  -8.574   7.155
  167    HD1  TYR  25           HD2      TYR  25  -0.703  -6.071   9.669
  168    HD2  TYR  25           HD1      TYR  25  -3.423  -7.533   6.720
  169    HE1  TYR  25           HE2      TYR  25  -2.568  -5.052  10.862
  170    HE2  TYR  25           HE1      TYR  25  -5.276  -6.512   7.923
  171    HH   TYR  25           HH       TYR  25  -5.825  -5.705  10.118
  172    HA   PRO  26           HA       PRO  26   4.009  -9.290   7.258
  173   1HB   PRO  26          2HB       PRO  26   3.920 -12.058   7.374
  174   2HB   PRO  26          1HB       PRO  26   3.954 -11.055   8.826
  175   1HG   PRO  26          2HG       PRO  26   1.489 -12.174   7.364
  176   2HG   PRO  26          1HG       PRO  26   1.880 -12.339   9.078
  177   1HD   PRO  26          2HD       PRO  26   0.192 -10.356   8.255
  178   2HD   PRO  26          1HD       PRO  26   1.398  -9.996   9.512
  179    H    SER  27           H        SER  27   1.348  -9.984   5.525
  180    HA   SER  27           HA       SER  27   2.935 -10.752   3.092
  181   1HB   SER  27          2HB       SER  27   0.603 -11.591   2.322
  182   2HB   SER  27          1HB       SER  27   1.447 -12.540   3.557
  183    HG   SER  27           HG       SER  27  -0.285 -12.114   4.707
  184    H    GLY  28           H        GLY  28   1.650  -8.192   4.414
  185   1HA   GLY  28          2HA       GLY  28   1.367  -6.075   3.542
  186   2HA   GLY  28          1HA       GLY  28   1.547  -6.779   1.941
  187    H    CYS  29           H        CYS  29   0.064  -6.396   0.794
  188    HA   CYS  29           HA       CYS  29  -2.258  -5.195   1.249
  189   1HB   CYS  29          2HB       CYS  29  -1.109  -6.115  -0.983
  190   2HB   CYS  29          1HB       CYS  29  -2.473  -7.198  -0.902
  191    HA   PRO  30           HA       PRO  30  -4.691  -8.441   3.182
  192   1HB   PRO  30          2HB       PRO  30  -6.645  -6.856   4.239
  193   2HB   PRO  30          1HB       PRO  30  -5.020  -6.945   4.923
  194   1HG   PRO  30          2HG       PRO  30  -6.139  -4.752   3.091
  195   2HG   PRO  30          1HG       PRO  30  -5.101  -4.645   4.495
  196   1HD   PRO  30          2HD       PRO  30  -4.292  -4.682   1.819
  197   2HD   PRO  30          1HD       PRO  30  -3.226  -5.032   3.211
  198    H    SER  31           H        SER  31  -6.842  -9.111   3.095
  199    HA   SER  31           HA       SER  31  -7.740  -9.337   0.456
  200   1HB   SER  31          2HB       SER  31  -9.309 -10.288   2.955
  201   2HB   SER  31          1HB       SER  31  -9.142 -11.159   1.420
  202    HG   SER  31           HG       SER  31  -7.402 -12.024   2.295
  203    H    GLY  32           H        GLY  32  -8.568  -7.831  -0.441
  204   1HA   GLY  32          2HA       GLY  32 -10.880  -6.790  -0.799
  205   2HA   GLY  32          1HA       GLY  32 -10.611  -6.104   0.820
  206    H    TRP  33           H        TRP  33  -7.562  -6.486  -0.538
  207    HA   TRP  33           HA       TRP  33  -7.585  -3.793  -1.691
  208   1HB   TRP  33          2HB       TRP  33  -5.599  -5.303   0.156
  209   2HB   TRP  33          1HB       TRP  33  -5.120  -3.916  -0.778
  210    HD1  TRP  33           HD1      TRP  33  -8.270  -4.496   1.558
  211    HE1  TRP  33           HE1      TRP  33  -8.403  -2.333   2.831
  212    HE3  TRP  33           HE3      TRP  33  -4.255  -2.177  -0.296
  213    HZ2  TRP  33           HZ2      TRP  33  -6.920   0.219   3.094
  214    HZ3  TRP  33           HZ3      TRP  33  -3.596   0.047   0.387
  215    HH2  TRP  33           HH2      TRP  33  -4.893   1.269   2.059
  216    H    HIS  34           H        HIS  34  -4.975  -4.162  -2.719
  217    HA   HIS  34           HA       HIS  34  -5.283  -6.444  -4.479
  218   1HB   HIS  34          2HB       HIS  34  -4.811  -3.545  -5.351
  219   2HB   HIS  34          1HB       HIS  34  -4.723  -4.905  -6.469
  220    HD1  HIS  34           HD1      HIS  34  -7.439  -6.013  -4.819
  221    HD2  HIS  34           HD2      HIS  34  -6.953  -2.629  -7.025
  222    HE1  HIS  34           HE1      HIS  34  -9.695  -5.342  -5.565
  223    H    ASN  35           H        ASN  35  -2.993  -4.421  -5.640
  224    HA   ASN  35           HA       ASN  35  -0.755  -4.758  -4.050
  225   1HB   ASN  35          2HB       ASN  35   0.425  -6.615  -5.449
  226   2HB   ASN  35          1HB       ASN  35  -0.839  -7.167  -4.365
  227   1HD2  ASN  35          2HD2      ASN  35  -1.849  -7.330  -8.306
  228   2HD2  ASN  35          1HD2      ASN  35  -1.045  -5.908  -7.814
  229    H    CYS  36           H        CYS  36   0.901  -3.611  -4.800
  230    HA   CYS  36           HA       CYS  36   1.059  -2.947  -7.701
  231   1HB   CYS  36          2HB       CYS  36   0.990  -0.581  -7.351
  232   2HB   CYS  36          1HB       CYS  36  -0.440  -1.281  -6.637
  233    H    LYS  37           H        LYS  37   2.523  -2.325  -4.503
  234    HA   LYS  37           HA       LYS  37   5.105  -1.911  -5.786
  235   1HB   LYS  37          2HB       LYS  37   4.197  -1.853  -2.910
  236   2HB   LYS  37          1HB       LYS  37   5.835  -1.587  -3.247
  237   1HG   LYS  37          2HG       LYS  37   3.504   0.174  -4.104
  238   2HG   LYS  37          1HG       LYS  37   4.788   0.623  -3.005
  239   1HD   LYS  37          2HD       LYS  37   5.087   0.231  -5.953
  240   2HD   LYS  37          1HD       LYS  37   5.314   1.709  -5.036
  241   1HE   LYS  37          2HE       LYS  37   7.228   0.719  -3.828
  242   2HE   LYS  37          1HE       LYS  37   7.053  -0.755  -4.777
  243   1HZ   LYS  37          2HZ       LYS  37   7.178   1.363  -6.602
  244   2HZ   LYS  37          1HZ       LYS  37   8.494   1.525  -5.546
  245   3HZ   LYS  37          3HZ       LYS  37   8.152   0.110  -6.443
  246    H    ALA  38           H        ALA  38   4.889  -4.060  -6.634
  247    HA   ALA  38           HA       ALA  38   5.173  -6.414  -4.979
  248   1HB   ALA  38          2HB       ALA  38   5.975  -5.946  -7.872
  249   2HB   ALA  38          1HB       ALA  38   5.842  -7.525  -7.106
  250   3HB   ALA  38          3HB       ALA  38   4.405  -6.536  -7.331
  251    H    HIS  39           H        HIS  39   7.212  -3.989  -5.104
  252    HA   HIS  39           HA       HIS  39   9.688  -5.636  -5.016
  253   1HB   HIS  39          2HB       HIS  39   9.279  -2.670  -5.396
  254   2HB   HIS  39          1HB       HIS  39  10.833  -3.469  -5.281
  255    HD1  HIS  39           HD1      HIS  39  10.816  -5.630  -7.211
  256    HD2  HIS  39           HD2      HIS  39   8.412  -2.410  -7.970
  257    HE1  HIS  39           HE1      HIS  39  10.278  -5.702  -9.614
  258    H    GLY  40           H        GLY  40   7.648  -3.865  -2.875
  259   1HA   GLY  40          2HA       GLY  40   8.821  -4.708  -0.563
  260   2HA   GLY  40          1HA       GLY  40   9.802  -3.312  -1.016
  261    HA   PRO  41           HA       PRO  41  10.166  -1.620   0.214
  262   1HB   PRO  41          2HB       PRO  41  10.057  -0.537   2.719
  263   2HB   PRO  41          1HB       PRO  41   9.454   0.318   1.297
  264   1HG   PRO  41          2HG       PRO  41   7.860  -1.414   3.241
  265   2HG   PRO  41          1HG       PRO  41   7.536   0.256   2.759
  266   1HD   PRO  41          2HD       PRO  41   6.280  -1.815   1.487
  267   2HD   PRO  41          1HD       PRO  41   6.826  -0.412   0.547
  268    H    THR  42           H        THR  42  11.606  -1.908   2.361
  269    HA   THR  42           HA       THR  42  11.632  -4.845   2.770
  270    HB   THR  42           HB       THR  42  13.659  -3.509   1.854
  271    HG1  THR  42           HG1      THR  42  14.696  -5.126   2.720
  272   1HG2  THR  42          3HG2      THR  42  13.488  -1.513   3.460
  273   2HG2  THR  42          2HG2      THR  42  13.891  -2.609   4.772
  274   3HG2  THR  42          1HG2      THR  42  15.054  -2.296   3.501
  275    H    ILE  43           H        ILE  43   9.848  -2.851   4.162
  276    HA   ILE  43           HA       ILE  43  10.493  -3.682   6.991
  277    HB   ILE  43           HB       ILE  43   9.046  -1.088   6.218
  278   1HG1  ILE  43          2HG1      ILE  43  11.399  -0.978   5.404
  279   2HG1  ILE  43          1HG1      ILE  43  11.100   0.149   6.702
  280   1HG2  ILE  43          3HG2      ILE  43  10.241  -2.026   8.873
  281   2HG2  ILE  43          2HG2      ILE  43   9.521  -0.451   8.593
  282   3HG2  ILE  43          1HG2      ILE  43   8.536  -1.897   8.498
  283   1HD1  ILE  43          1HD1      ILE  43  12.482  -2.564   7.034
  284   2HD1  ILE  43          3HD1      ILE  43  13.279  -1.007   7.007
  285   3HD1  ILE  43          2HD1      ILE  43  12.203  -1.410   8.323
  286    H    GLY  44           H        GLY  44   7.828  -2.451   5.054
  287   1HA   GLY  44          2HA       GLY  44   5.986  -4.579   6.059
  288   2HA   GLY  44          1HA       GLY  44   5.469  -2.874   6.038
  289    H    TRP  45           H        TRP  45   3.901  -4.102   4.266
  290    HA   TRP  45           HA       TRP  45   5.370  -4.101   1.629
  291   1HB   TRP  45          2HB       TRP  45   2.595  -5.074   2.140
  292   2HB   TRP  45          1HB       TRP  45   3.522  -5.318   0.691
  293    HD1  TRP  45           HD1      TRP  45   3.994  -6.436   4.502
  294    HE1  TRP  45           HE1      TRP  45   4.715  -8.849   4.296
  295    HE3  TRP  45           HE3      TRP  45   4.156  -6.985  -0.515
  296    HZ2  TRP  45           HZ2      TRP  45   5.272 -10.838   2.375
  297    HZ3  TRP  45           HZ3      TRP  45   4.789  -9.144  -1.533
  298    HH2  TRP  45           HH2      TRP  45   5.351 -11.074  -0.091
  299    H    CYS  46           H        CYS  46   4.570  -2.787  -0.096
  300    HA   CYS  46           HA       CYS  46   2.588  -0.720   0.783
  301   1HB   CYS  46          2HB       CYS  46   4.930  -0.830  -1.067
  302   2HB   CYS  46          1HB       CYS  46   3.695   0.333  -1.431
  303    H    CYS  47           H        CYS  47   0.665  -0.657  -0.120
  304    HA   CYS  47           HA       CYS  47   0.194  -1.857  -2.761
  305   1HB   CYS  47          2HB       CYS  47   0.024  -3.664  -0.978
  306   2HB   CYS  47          1HB       CYS  47  -1.352  -2.802  -0.328
  307    H    LYS  48           H        LYS  48  -2.546  -2.047  -2.686
  308    HA   LYS  48           HA       LYS  48  -3.607   0.559  -1.798
  309   1HB   LYS  48          2HB       LYS  48  -4.348   1.163  -4.140
  310   2HB   LYS  48          1HB       LYS  48  -2.590   1.028  -4.068
  311   1HG   LYS  48          2HG       LYS  48  -2.617  -1.140  -5.187
  312   2HG   LYS  48          1HG       LYS  48  -4.299  -1.410  -4.821
  313   1HD   LYS  48          2HD       LYS  48  -4.526  -0.972  -7.028
  314   2HD   LYS  48          1HD       LYS  48  -4.783   0.624  -6.403
  315   1HE   LYS  48          2HE       LYS  48  -2.178  -0.447  -7.574
  316   2HE   LYS  48          1HE       LYS  48  -3.265   0.688  -8.345
  317   1HZ   LYS  48          2HZ       LYS  48  -2.624   1.696  -5.809
  318   2HZ   LYS  48          1HZ       LYS  48  -1.174   1.258  -6.556
  319   3HZ   LYS  48          3HZ       LYS  48  -2.222   2.353  -7.304
  320    H    GLN  49           H        GLN  49  -6.046   0.567  -2.217
  321    HA   GLN  49           HA       GLN  49  -7.026  -1.927  -1.510
  322   1HB   GLN  49          2HB       GLN  49  -7.620   0.775  -1.047
  323   2HB   GLN  49          1HB       GLN  49  -8.798   0.355  -2.298
  324   1HG   GLN  49          2HG       GLN  49  -9.340  -1.564  -1.154
  325   2HG   GLN  49          1HG       GLN  49  -8.196  -1.209   0.138
  326   1HE2  GLN  49          2HE2      GLN  49 -11.746   0.165   0.872
  327   2HE2  GLN  49          1HE2      GLN  49 -11.369  -1.250  -0.002
   
  No H/Q in entry =         327
  Start of MODEL           7
 Raw file had  333 H/Q atoms
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1  -2.131   7.140   8.868
    2   2H    GLY   1          3H        GLY   1  -3.786   6.842   8.662
    3   3H    GLY   1          2H        GLY   1  -2.995   6.313  10.077
    4   1HA   GLY   1          2HA       GLY   1  -2.435   4.381   9.096
    5   2HA   GLY   1          1HA       GLY   1  -3.270   4.927   7.622
    6    H    VAL   2           H        VAL   2  -0.922   3.536   7.090
    7    HA   VAL   2           HA       VAL   2   1.002   5.751   6.501
    8    HB   VAL   2           HB       VAL   2   1.793   2.827   6.736
    9   1HG1  VAL   2          2HG1      VAL   2   3.391   5.425   6.901
   10   2HG1  VAL   2          1HG1      VAL   2   4.076   3.819   7.046
   11   3HG1  VAL   2          3HG1      VAL   2   3.354   4.324   5.533
   12   1HG2  VAL   2          3HG2      VAL   2   1.919   4.888   8.986
   13   2HG2  VAL   2          2HG2      VAL   2   0.901   3.455   8.976
   14   3HG2  VAL   2          1HG2      VAL   2   2.640   3.288   9.044
   15    H    SER   3           H        SER   3   1.679   5.855   4.428
   16    HA   SER   3           HA       SER   3   0.876   3.767   2.541
   17   1HB   SER   3          2HB       SER   3   0.404   6.753   2.427
   18   2HB   SER   3          1HB       SER   3   0.252   5.768   1.004
   19    HG   SER   3           HG       SER   3  -1.622   5.222   1.714
   20    H    CYS   4           H        CYS   4   1.783   4.432   0.351
   21    HA   CYS   4           HA       CYS   4   4.372   5.739   0.417
   22   1HB   CYS   4          2HB       CYS   4   5.321   3.351  -0.496
   23   2HB   CYS   4          1HB       CYS   4   5.459   3.874   1.158
   24    H    LEU   5           H        LEU   5   5.434   5.729  -1.579
   25    HA   LEU   5           HA       LEU   5   3.870   6.321  -3.806
   26   1HB   LEU   5          2HB       LEU   5   6.254   7.034  -2.913
   27   2HB   LEU   5          1HB       LEU   5   6.822   5.625  -3.788
   28    HG   LEU   5           HG       LEU   5   5.114   7.740  -4.940
   29   1HD1  LEU   5          1HD1      LEU   5   7.240   8.774  -4.236
   30   2HD1  LEU   5          3HD1      LEU   5   8.165   7.521  -5.052
   31   3HD1  LEU   5          2HD1      LEU   5   7.218   8.662  -5.985
   32   1HD2  LEU   5          1HD2      LEU   5   6.941   5.603  -6.206
   33   2HD2  LEU   5          3HD2      LEU   5   5.190   5.642  -6.321
   34   3HD2  LEU   5          2HD2      LEU   5   6.153   6.876  -7.088
   35    H    CYS   6           H        CYS   6   2.867   4.913  -5.161
   36    HA   CYS   6           HA       CYS   6   3.839   2.132  -5.280
   37   1HB   CYS   6          2HB       CYS   6   1.312   3.395  -6.365
   38   2HB   CYS   6          1HB       CYS   6   1.696   1.699  -6.519
   39    H    ASP   7           H        ASP   7   3.957   0.959  -7.273
   40    HA   ASP   7           HA       ASP   7   5.755   1.965  -9.110
   41   1HB   ASP   7          2HB       ASP   7   3.690  -0.249  -9.391
   42   2HB   ASP   7          1HB       ASP   7   4.996  -0.015 -10.531
   43    H    SER   8           H        SER   8   2.545   2.769  -9.072
   44    HA   SER   8           HA       SER   8   2.441   3.553 -11.949
   45   1HB   SER   8          2HB       SER   8   0.203   3.783  -9.876
   46   2HB   SER   8          1HB       SER   8   0.065   3.847 -11.636
   47    HG   SER   8           HG       SER   8   1.531   1.691 -10.905
   48    H    ASP   9           H        ASP   9   2.924   4.968  -8.852
   49    HA   ASP   9           HA       ASP   9   2.279   7.689  -9.833
   50   1HB   ASP   9          2HB       ASP   9   3.237   6.583  -7.141
   51   2HB   ASP   9          1HB       ASP   9   3.220   8.286  -7.432
   52    H    GLY  10           H        GLY  10   3.875   8.525 -11.151
   53   1HA   GLY  10          2HA       GLY  10   6.731   7.882 -10.525
   54   2HA   GLY  10          1HA       GLY  10   6.118   8.172 -12.145
   55    HA   PRO  11           HA       PRO  11   6.100  12.491 -10.229
   56   1HB   PRO  11          2HB       PRO  11   6.617  12.942  -7.597
   57   2HB   PRO  11          1HB       PRO  11   5.045  12.334  -8.123
   58   1HG   PRO  11          2HG       PRO  11   7.454  10.708  -7.140
   59   2HG   PRO  11          1HG       PRO  11   5.788  10.647  -6.544
   60   1HD   PRO  11          2HD       PRO  11   6.664   8.851  -8.430
   61   2HD   PRO  11          1HD       PRO  11   5.003   9.481  -8.457
   62    H    SER  12           H        SER  12   7.720  14.089  -9.040
   63    HA   SER  12           HA       SER  12  10.353  13.565 -10.187
   64   1HB   SER  12          2HB       SER  12  10.509  16.123  -9.478
   65   2HB   SER  12          1HB       SER  12   9.304  15.726 -10.717
   66    HG   SER  12           HG       SER  12   8.921  16.078  -7.896
   67    H    VAL  13           H        VAL  13  12.167  14.763  -8.698
   68    HA   VAL  13           HA       VAL  13  12.215  13.145  -6.251
   69    HB   VAL  13           HB       VAL  13  13.907  15.614  -6.758
   70   1HG1  VAL  13          2HG1      VAL  13  14.123  14.592  -4.542
   71   2HG1  VAL  13          1HG1      VAL  13  14.533  13.040  -5.255
   72   3HG1  VAL  13          3HG1      VAL  13  15.631  14.400  -5.412
   73   1HG2  VAL  13          1HG2      VAL  13  14.548  12.803  -7.837
   74   2HG2  VAL  13          3HG2      VAL  13  14.161  14.192  -8.841
   75   3HG2  VAL  13          2HG2      VAL  13  15.646  14.170  -7.919
   76    H    ARG  14           H        ARG  14  11.146  13.858  -4.586
   77    HA   ARG  14           HA       ARG  14  10.103  15.229  -2.940
   78   1HB   ARG  14          2HB       ARG  14  11.830  17.092  -3.831
   79   2HB   ARG  14          1HB       ARG  14  10.467  17.646  -4.779
   80   1HG   ARG  14          2HG       ARG  14   9.136  17.929  -2.652
   81   2HG   ARG  14          1HG       ARG  14  10.580  17.490  -1.738
   82   1HD   ARG  14          2HD       ARG  14  11.806  19.379  -3.039
   83   2HD   ARG  14          1HD       ARG  14  10.230  19.889  -3.606
   84    HE   ARG  14           HE       ARG  14  11.307  20.712  -1.181
   85   1HH1  ARG  14          2HH1      ARG  14  10.073  18.845   0.395
   86   2HH1  ARG  14          1HH1      ARG  14   8.465  19.389   0.701
   87   1HH2  ARG  14          1HH2      ARG  14   8.666  21.526  -2.160
   88   2HH2  ARG  14          2HH2      ARG  14   7.571  20.999  -0.938
   89    H    GLY  15           H        GLY  15   7.878  15.441  -2.870
   90   1HA   GLY  15          2HA       GLY  15   5.728  16.169  -3.854
   91   2HA   GLY  15          1HA       GLY  15   6.398  15.829  -5.456
   92    H    ASN  16           H        ASN  16   7.225  13.585  -3.127
   93    HA   ASN  16           HA       ASN  16   6.076  11.377  -4.429
   94   1HB   ASN  16          2HB       ASN  16   6.337  10.218  -2.146
   95   2HB   ASN  16          1HB       ASN  16   7.772  10.933  -2.832
   96   1HD2  ASN  16          2HD2      ASN  16   6.469  12.303   0.686
   97   2HD2  ASN  16          1HD2      ASN  16   5.811  10.897  -0.002
   98    H    THR  17           H        THR  17   4.195  10.589  -4.507
   99    HA   THR  17           HA       THR  17   2.043  11.755  -2.863
  100    HB   THR  17           HB       THR  17   1.676  10.137  -5.435
  101    HG1  THR  17           HG1      THR  17   3.039  12.492  -5.052
  102   1HG2  THR  17          1HG2      THR  17   0.193  12.591  -4.308
  103   2HG2  THR  17          3HG2      THR  17  -0.237  11.668  -5.737
  104   3HG2  THR  17          2HG2      THR  17  -0.411  10.943  -4.146
  105    H    LEU  18           H        LEU  18   1.068  10.577  -1.414
  106    HA   LEU  18           HA       LEU  18   1.694   7.708  -1.005
  107   1HB   LEU  18          2HB       LEU  18   0.382   9.948   0.609
  108   2HB   LEU  18          1HB       LEU  18   0.219   8.303   1.122
  109    HG   LEU  18           HG       LEU  18   2.700   8.093   1.084
  110   1HD1  LEU  18          2HD1      LEU  18   2.684  11.112   0.649
  111   2HD1  LEU  18          1HD1      LEU  18   4.095  10.178   1.102
  112   3HD1  LEU  18          3HD1      LEU  18   3.348   9.918  -0.452
  113   1HD2  LEU  18          2HD2      LEU  18   1.518   8.617   3.240
  114   2HD2  LEU  18          1HD2      LEU  18   3.066   9.436   3.219
  115   3HD2  LEU  18          3HD2      LEU  18   1.594  10.335   2.887
  116    H    SER  19           H        SER  19   0.717   7.722  -3.015
  117    HA   SER  19           HA       SER  19  -2.115   7.793  -3.442
  118   1HB   SER  19          2HB       SER  19  -0.379   7.937  -5.205
  119   2HB   SER  19          1HB       SER  19   0.093   6.272  -4.867
  120    HG   SER  19           HG       SER  19  -1.229   6.405  -6.549
  121    H    GLY  20           H        GLY  20   0.106   5.054  -2.802
  122   1HA   GLY  20          2HA       GLY  20  -2.161   3.308  -2.522
  123   2HA   GLY  20          1HA       GLY  20  -0.485   2.803  -2.416
  124    H    THR  21           H        THR  21  -0.993   1.558  -0.436
  125    HA   THR  21           HA       THR  21  -0.814   3.183   1.904
  126    HB   THR  21           HB       THR  21  -2.877   0.960   1.730
  127    HG1  THR  21           HG1      THR  21  -3.016   3.539   0.860
  128   1HG2  THR  21          2HG2      THR  21  -2.489   3.242   3.734
  129   2HG2  THR  21          1HG2      THR  21  -3.713   1.983   3.831
  130   3HG2  THR  21          3HG2      THR  21  -2.023   1.579   4.049
  131    H    LEU  22           H        LEU  22   0.117   1.972   3.406
  132    HA   LEU  22           HA       LEU  22   1.379  -0.567   2.466
  133   1HB   LEU  22          2HB       LEU  22   2.990   0.997   2.752
  134   2HB   LEU  22          1HB       LEU  22   2.407   1.644   4.276
  135    HG   LEU  22           HG       LEU  22   3.257  -1.275   4.201
  136   1HD1  LEU  22          2HD1      LEU  22   5.285   1.010   4.071
  137   2HD1  LEU  22          1HD1      LEU  22   5.669  -0.684   4.335
  138   3HD1  LEU  22          3HD1      LEU  22   5.006  -0.171   2.800
  139   1HD2  LEU  22          3HD2      LEU  22   3.826   1.066   6.078
  140   2HD2  LEU  22          2HD2      LEU  22   2.518  -0.091   6.282
  141   3HD2  LEU  22          1HD2      LEU  22   4.194  -0.618   6.398
  142    H    TRP  23           H        TRP  23   1.281  -2.230   3.581
  143    HA   TRP  23           HA       TRP  23  -0.469  -2.314   5.969
  144   1HB   TRP  23          2HB       TRP  23  -0.030  -4.179   3.608
  145   2HB   TRP  23          1HB       TRP  23  -0.768  -4.795   5.091
  146    HD1  TRP  23           HD1      TRP  23  -1.612  -2.446   2.064
  147    HE1  TRP  23           HE1      TRP  23  -3.951  -1.669   2.460
  148    HE3  TRP  23           HE3      TRP  23  -2.351  -4.233   6.735
  149    HZ2  TRP  23           HZ2      TRP  23  -5.976  -1.685   4.494
  150    HZ3  TRP  23           HZ3      TRP  23  -4.483  -3.810   7.902
  151    HH2  TRP  23           HH2      TRP  23  -6.294  -2.543   6.785
  152    H    LEU  24           H        LEU  24   0.254  -2.964   7.711
  153    HA   LEU  24           HA       LEU  24   3.055  -3.757   8.077
  154   1HB   LEU  24          2HB       LEU  24   1.019  -3.473  10.336
  155   2HB   LEU  24          1HB       LEU  24   2.729  -3.132  10.369
  156    HG   LEU  24           HG       LEU  24   0.749  -1.499   8.727
  157   1HD1  LEU  24          3HD1      LEU  24   0.279  -1.235  11.163
  158   2HD1  LEU  24          2HD1      LEU  24   1.965  -0.846  11.447
  159   3HD1  LEU  24          1HD1      LEU  24   0.965   0.236  10.499
  160   1HD2  LEU  24          1HD2      LEU  24   3.147  -1.451   7.991
  161   2HD2  LEU  24          3HD2      LEU  24   2.672   0.112   8.627
  162   3HD2  LEU  24          2HD2      LEU  24   3.641  -0.977   9.599
  163    H    TYR  25           H        TYR  25   0.093  -5.007   7.847
  164    HA   TYR  25           HA       TYR  25   0.107  -7.344   9.486
  165   1HB   TYR  25          2HB       TYR  25  -1.148  -6.856   6.742
  166   2HB   TYR  25          1HB       TYR  25  -1.430  -8.310   7.583
  167    HD1  TYR  25           HD2      TYR  25  -1.311  -5.930  10.210
  168    HD2  TYR  25           HD1      TYR  25  -3.795  -7.307   7.033
  169    HE1  TYR  25           HE2      TYR  25  -3.269  -5.106  11.377
  170    HE2  TYR  25           HE1      TYR  25  -5.766  -6.471   8.211
  171    HH   TYR  25           HH       TYR  25  -5.485  -4.688  11.279
  172    HA   PRO  26           HA       PRO  26   3.417  -9.424   8.185
  173   1HB   PRO  26          2HB       PRO  26   2.895 -12.100   8.601
  174   2HB   PRO  26          1HB       PRO  26   2.939 -10.944   9.936
  175   1HG   PRO  26          2HG       PRO  26   0.483 -11.884   8.345
  176   2HG   PRO  26          1HG       PRO  26   0.690 -11.881  10.097
  177   1HD   PRO  26          2HD       PRO  26  -0.598  -9.818   8.885
  178   2HD   PRO  26          1HD       PRO  26   0.513  -9.479  10.231
  179    H    SER  27           H        SER  27   0.788  -9.873   6.343
  180    HA   SER  27           HA       SER  27   2.402 -11.077   4.105
  181   1HB   SER  27          2HB       SER  27   0.197 -11.894   3.240
  182   2HB   SER  27          1HB       SER  27   0.648 -12.648   4.781
  183    HG   SER  27           HG       SER  27  -1.406 -10.877   4.272
  184    H    GLY  28           H        GLY  28   1.319  -8.306   5.182
  185   1HA   GLY  28          2HA       GLY  28   1.137  -6.239   4.149
  186   2HA   GLY  28          1HA       GLY  28   1.399  -7.069   2.624
  187    H    CYS  29           H        CYS  29   0.013  -6.823   1.347
  188    HA   CYS  29           HA       CYS  29  -2.313  -5.554   1.444
  189   1HB   CYS  29          2HB       CYS  29  -0.919  -6.661  -0.551
  190   2HB   CYS  29          1HB       CYS  29  -2.272  -7.759  -0.526
  191    HA   PRO  30           HA       PRO  30  -4.905  -8.599   3.586
  192   1HB   PRO  30          2HB       PRO  30  -6.760  -6.851   4.507
  193   2HB   PRO  30          1HB       PRO  30  -5.154  -7.021   5.224
  194   1HG   PRO  30          2HG       PRO  30  -6.106  -4.802   3.345
  195   2HG   PRO  30          1HG       PRO  30  -4.998  -4.765   4.699
  196   1HD   PRO  30          2HD       PRO  30  -4.329  -4.975   1.985
  197   2HD   PRO  30          1HD       PRO  30  -3.222  -5.266   3.361
  198    H    SER  31           H        SER  31  -6.479  -9.693   2.808
  199    HA   SER  31           HA       SER  31  -7.475  -9.601   0.258
  200   1HB   SER  31          2HB       SER  31  -9.043 -10.748   2.670
  201   2HB   SER  31          1HB       SER  31  -9.080 -11.371   1.008
  202    HG   SER  31           HG       SER  31  -7.366 -12.478   1.572
  203    H    GLY  32           H        GLY  32  -8.277  -8.032  -0.531
  204   1HA   GLY  32          2HA       GLY  32 -10.644  -6.985  -0.865
  205   2HA   GLY  32          1HA       GLY  32 -10.291  -6.288   0.735
  206    H    TRP  33           H        TRP  33  -7.311  -6.733  -0.532
  207    HA   TRP  33           HA       TRP  33  -7.113  -4.157  -1.872
  208   1HB   TRP  33          2HB       TRP  33  -5.273  -5.654   0.126
  209   2HB   TRP  33          1HB       TRP  33  -4.727  -4.282  -0.801
  210    HD1  TRP  33           HD1      TRP  33  -7.832  -4.971   1.504
  211    HE1  TRP  33           HE1      TRP  33  -8.170  -2.740   2.628
  212    HE3  TRP  33           HE3      TRP  33  -4.082  -2.357  -0.565
  213    HZ2  TRP  33           HZ2      TRP  33  -7.003  -0.086   2.677
  214    HZ3  TRP  33           HZ3      TRP  33  -3.639  -0.033   0.013
  215    HH2  TRP  33           HH2      TRP  33  -5.066   1.131   1.618
  216    H    HIS  34           H        HIS  34  -4.676  -4.626  -2.867
  217    HA   HIS  34           HA       HIS  34  -4.696  -7.141  -4.275
  218   1HB   HIS  34          2HB       HIS  34  -4.792  -4.412  -5.593
  219   2HB   HIS  34          1HB       HIS  34  -4.563  -5.912  -6.488
  220    HD1  HIS  34           HD1      HIS  34  -7.243  -3.815  -5.150
  221    HD2  HIS  34           HD2      HIS  34  -6.810  -7.765  -6.128
  222    HE1  HIS  34           HE1      HIS  34  -9.504  -4.734  -5.335
  223    H    ASN  35           H        ASN  35  -2.899  -4.642  -5.571
  224    HA   ASN  35           HA       ASN  35  -0.448  -5.011  -4.064
  225   1HB   ASN  35          2HB       ASN  35   0.913  -6.045  -5.885
  226   2HB   ASN  35          1HB       ASN  35  -0.422  -7.103  -5.524
  227   1HD2  ASN  35          2HD2      ASN  35  -0.502  -5.092  -9.080
  228   2HD2  ASN  35          1HD2      ASN  35   0.299  -4.349  -7.784
  229    H    CYS  36           H        CYS  36   1.148  -3.456  -4.763
  230    HA   CYS  36           HA       CYS  36   0.359  -1.614  -6.978
  231   1HB   CYS  36          2HB       CYS  36  -0.204   0.198  -5.733
  232   2HB   CYS  36          1HB       CYS  36  -0.574  -0.972  -4.509
  233    H    LYS  37           H        LYS  37   2.626  -2.550  -4.566
  234    HA   LYS  37           HA       LYS  37   4.829  -1.317  -6.032
  235   1HB   LYS  37          2HB       LYS  37   4.152  -1.685  -3.183
  236   2HB   LYS  37          1HB       LYS  37   5.855  -1.673  -3.460
  237   1HG   LYS  37          2HG       LYS  37   3.934   0.418  -4.471
  238   2HG   LYS  37          1HG       LYS  37   4.838   0.670  -3.000
  239   1HD   LYS  37          2HD       LYS  37   6.412  -0.146  -5.409
  240   2HD   LYS  37          1HD       LYS  37   5.847   1.506  -5.379
  241   1HE   LYS  37          2HE       LYS  37   7.063   1.841  -3.242
  242   2HE   LYS  37          1HE       LYS  37   7.449   0.129  -3.166
  243   1HZ   LYS  37          2HZ       LYS  37   8.204   1.073  -5.695
  244   2HZ   LYS  37          1HZ       LYS  37   8.835   2.155  -4.546
  245   3HZ   LYS  37          3HZ       LYS  37   9.201   0.500  -4.444
  246    H    ALA  38           H        ALA  38   5.291  -2.928  -7.316
  247    HA   ALA  38           HA       ALA  38   5.632  -5.701  -6.379
  248   1HB   ALA  38          1HB       ALA  38   4.909  -5.202  -8.751
  249   2HB   ALA  38          3HB       ALA  38   6.444  -4.395  -9.030
  250   3HB   ALA  38          2HB       ALA  38   6.407  -6.128  -8.743
  251    H    HIS  39           H        HIS  39   7.097  -3.970  -4.893
  252    HA   HIS  39           HA       HIS  39   9.881  -4.857  -5.363
  253   1HB   HIS  39          2HB       HIS  39   9.090  -2.006  -4.646
  254   2HB   HIS  39          1HB       HIS  39  10.735  -2.620  -4.656
  255    HD1  HIS  39           HD1      HIS  39  11.856  -2.651  -6.927
  256    HD2  HIS  39           HD2      HIS  39   7.862  -1.859  -7.309
  257    HE1  HIS  39           HE1      HIS  39  11.481  -2.004  -9.288
  258    H    GLY  40           H        GLY  40   7.414  -3.796  -3.002
  259   1HA   GLY  40          2HA       GLY  40   7.827  -5.319  -0.941
  260   2HA   GLY  40          1HA       GLY  40   9.319  -4.456  -0.841
  261    HA   PRO  41           HA       PRO  41  10.122  -2.680  -0.467
  262   1HB   PRO  41          2HB       PRO  41  10.919  -0.835   1.394
  263   2HB   PRO  41          1HB       PRO  41   9.878  -0.322   0.070
  264   1HG   PRO  41          2HG       PRO  41   9.030  -1.129   2.916
  265   2HG   PRO  41          1HG       PRO  41   8.546   0.293   2.002
  266   1HD   PRO  41          2HD       PRO  41   7.054  -2.079   2.108
  267   2HD   PRO  41          1HD       PRO  41   6.917  -0.910   0.779
  268    H    THR  42           H        THR  42  11.864  -2.384   1.884
  269    HA   THR  42           HA       THR  42  11.803  -5.154   2.759
  270    HB   THR  42           HB       THR  42  13.988  -4.195   3.957
  271    HG1  THR  42           HG1      THR  42  14.003  -2.086   3.783
  272   1HG2  THR  42          3HG2      THR  42  13.710  -3.761   0.918
  273   2HG2  THR  42          2HG2      THR  42  15.208  -4.032   1.792
  274   3HG2  THR  42          1HG2      THR  42  14.044  -5.334   1.628
  275    H    ILE  43           H        ILE  43   9.968  -2.760   3.658
  276    HA   ILE  43           HA       ILE  43   9.777  -3.681   6.459
  277    HB   ILE  43           HB       ILE  43   9.479  -1.234   7.205
  278   1HG1  ILE  43          2HG1      ILE  43   9.287  -0.192   4.903
  279   2HG1  ILE  43          1HG1      ILE  43  10.350   0.611   6.017
  280   1HG2  ILE  43          2HG2      ILE  43  12.244  -2.137   6.323
  281   2HG2  ILE  43          1HG2      ILE  43  11.933  -0.866   7.495
  282   3HG2  ILE  43          3HG2      ILE  43  11.446  -2.518   7.834
  283   1HD1  ILE  43          3HD1      ILE  43  11.336  -1.232   3.774
  284   2HD1  ILE  43          2HD1      ILE  43  11.371   0.512   3.769
  285   3HD1  ILE  43          1HD1      ILE  43  12.346  -0.376   4.918
  286    H    GLY  44           H        GLY  44   7.766  -4.376   6.574
  287   1HA   GLY  44          2HA       GLY  44   5.388  -4.422   6.402
  288   2HA   GLY  44          1HA       GLY  44   5.452  -2.687   6.057
  289    H    TRP  45           H        TRP  45   3.690  -3.638   4.399
  290    HA   TRP  45           HA       TRP  45   5.173  -4.286   1.857
  291   1HB   TRP  45          2HB       TRP  45   2.343  -5.137   2.419
  292   2HB   TRP  45          1HB       TRP  45   3.368  -5.644   1.107
  293    HD1  TRP  45           HD1      TRP  45   3.696  -5.949   5.062
  294    HE1  TRP  45           HE1      TRP  45   4.285  -8.351   5.427
  295    HE3  TRP  45           HE3      TRP  45   3.826  -7.583   0.302
  296    HZ2  TRP  45           HZ2      TRP  45   4.753 -10.794   3.945
  297    HZ3  TRP  45           HZ3      TRP  45   4.346  -9.933  -0.231
  298    HH2  TRP  45           HH2      TRP  45   4.814 -11.538   1.591
  299    H    CYS  46           H        CYS  46   4.656  -2.921   0.169
  300    HA   CYS  46           HA       CYS  46   2.597  -0.838   0.725
  301   1HB   CYS  46          2HB       CYS  46   4.919  -1.134  -1.189
  302   2HB   CYS  46          1HB       CYS  46   3.753   0.117  -1.480
  303    H    CYS  47           H        CYS  47   0.651  -0.983  -0.109
  304    HA   CYS  47           HA       CYS  47   0.262  -2.242  -2.723
  305   1HB   CYS  47          2HB       CYS  47   0.045  -3.893  -0.681
  306   2HB   CYS  47          1HB       CYS  47  -1.443  -3.053  -0.344
  307    H    LYS  48           H        LYS  48  -2.393  -2.413  -2.845
  308    HA   LYS  48           HA       LYS  48  -3.562   0.177  -2.071
  309   1HB   LYS  48          2HB       LYS  48  -4.313   0.756  -4.419
  310   2HB   LYS  48          1HB       LYS  48  -2.591   0.861  -4.260
  311   1HG   LYS  48          2HG       LYS  48  -3.225  -0.058  -6.445
  312   2HG   LYS  48          1HG       LYS  48  -2.245  -1.177  -5.570
  313   1HD   LYS  48          2HD       LYS  48  -3.665  -2.769  -6.114
  314   2HD   LYS  48          1HD       LYS  48  -4.858  -2.153  -5.023
  315   1HE   LYS  48          2HE       LYS  48  -4.671  -1.466  -7.962
  316   2HE   LYS  48          1HE       LYS  48  -5.835  -2.527  -7.179
  317   1HZ   LYS  48          2HZ       LYS  48  -5.915  -0.120  -5.789
  318   2HZ   LYS  48          1HZ       LYS  48  -6.049   0.275  -7.435
  319   3HZ   LYS  48          3HZ       LYS  48  -7.093  -0.814  -6.597
  320    H    GLN  49           H        GLN  49  -5.861   0.260  -2.843
  321    HA   GLN  49           HA       GLN  49  -7.007  -2.347  -2.686
  322   1HB   GLN  49          2HB       GLN  49  -7.351   0.111  -1.184
  323   2HB   GLN  49          1HB       GLN  49  -8.629   0.175  -2.406
  324   1HG   GLN  49          2HG       GLN  49  -8.916  -2.237  -1.952
  325   2HG   GLN  49          1HG       GLN  49  -7.907  -1.949  -0.531
  326   1HE2  GLN  49          2HE2      GLN  49 -11.347  -1.986   0.619
  327   2HE2  GLN  49          1HE2      GLN  49 -10.278  -3.076  -0.161
   
  No H/Q in entry =         327
  Start of MODEL           8
 Raw file had  333 H/Q atoms
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1  -1.842   5.994  10.594
    2   2H    GLY   1          3H        GLY   1  -3.521   5.787  10.491
    3   3H    GLY   1          2H        GLY   1  -2.591   4.704  11.416
    4   1HA   GLY   1          2HA       GLY   1  -2.261   3.403   9.629
    5   2HA   GLY   1          1HA       GLY   1  -3.215   4.548   8.660
    6    H    VAL   2           H        VAL   2  -1.025   3.449   7.367
    7    HA   VAL   2           HA       VAL   2   0.809   5.768   7.194
    8    HB   VAL   2           HB       VAL   2   1.784   2.929   6.971
    9   1HG1  VAL   2          2HG1      VAL   2   3.307   5.520   7.395
   10   2HG1  VAL   2          1HG1      VAL   2   4.031   3.927   7.321
   11   3HG1  VAL   2          3HG1      VAL   2   3.215   4.574   5.915
   12   1HG2  VAL   2          2HG2      VAL   2   1.923   4.655   9.505
   13   2HG2  VAL   2          1HG2      VAL   2   1.009   3.164   9.342
   14   3HG2  VAL   2          3HG2      VAL   2   2.756   3.121   9.307
   15    H    SER   3           H        SER   3   1.138   6.281   5.173
   16    HA   SER   3           HA       SER   3  -0.167   4.751   3.039
   17   1HB   SER   3          2HB       SER   3   0.980   7.556   3.134
   18   2HB   SER   3          1HB       SER   3   0.513   6.840   1.608
   19    HG   SER   3           HG       SER   3  -1.517   6.948   2.220
   20    H    CYS   4           H        CYS   4   1.106   5.086   0.841
   21    HA   CYS   4           HA       CYS   4   3.970   4.763   0.958
   22   1HB   CYS   4          2HB       CYS   4   3.240   2.459   1.599
   23   2HB   CYS   4          1HB       CYS   4   2.281   2.349   0.134
   24    H    LEU   5           H        LEU   5   4.768   4.188  -1.230
   25    HA   LEU   5           HA       LEU   5   3.140   5.579  -3.279
   26   1HB   LEU   5          2HB       LEU   5   6.081   5.379  -2.662
   27   2HB   LEU   5          1HB       LEU   5   5.633   5.460  -4.345
   28    HG   LEU   5           HG       LEU   5   4.503   7.461  -2.346
   29   1HD1  LEU   5          2HD1      LEU   5   7.048   7.712  -4.041
   30   2HD1  LEU   5          1HD1      LEU   5   6.342   8.999  -3.073
   31   3HD1  LEU   5          3HD1      LEU   5   7.029   7.584  -2.286
   32   1HD2  LEU   5          3HD2      LEU   5   5.016   7.518  -5.344
   33   2HD2  LEU   5          2HD2      LEU   5   3.449   7.258  -4.609
   34   3HD2  LEU   5          1HD2      LEU   5   4.245   8.796  -4.421
   35    H    CYS   6           H        CYS   6   2.652   4.659  -5.084
   36    HA   CYS   6           HA       CYS   6   3.085   1.751  -5.372
   37   1HB   CYS   6          2HB       CYS   6   1.461   3.681  -7.081
   38   2HB   CYS   6          1HB       CYS   6   1.336   1.935  -7.119
   39    H    ASP   7           H        ASP   7   3.696   0.909  -7.501
   40    HA   ASP   7           HA       ASP   7   6.140   2.074  -8.399
   41   1HB   ASP   7          2HB       ASP   7   6.136   0.257 -10.052
   42   2HB   ASP   7          1HB       ASP   7   5.501  -0.420  -8.567
   43    H    SER   8           H        SER   8   2.949   2.179  -9.426
   44    HA   SER   8           HA       SER   8   3.388   3.706 -11.886
   45   1HB   SER   8          2HB       SER   8   0.851   3.087 -10.324
   46   2HB   SER   8          1HB       SER   8   0.838   4.071 -11.797
   47    HG   SER   8           HG       SER   8   1.337   2.357 -12.949
   48    H    ASP   9           H        ASP   9   3.645   4.759  -8.734
   49    HA   ASP   9           HA       ASP   9   2.426   7.419  -9.274
   50   1HB   ASP   9          2HB       ASP   9   3.823   6.266  -6.796
   51   2HB   ASP   9          1HB       ASP   9   3.454   7.972  -6.960
   52    H    GLY  10           H        GLY  10   3.965   9.281  -8.497
   53   1HA   GLY  10          2HA       GLY  10   6.186   9.239 -10.377
   54   2HA   GLY  10          1HA       GLY  10   5.817  10.570  -9.266
   55    HA   PRO  11           HA       PRO  11   9.517   8.268  -7.453
   56   1HB   PRO  11          2HB       PRO  11  11.371  10.269  -7.899
   57   2HB   PRO  11          1HB       PRO  11  11.135   8.925  -9.012
   58   1HG   PRO  11          2HG       PRO  11   9.894  11.719  -9.156
   59   2HG   PRO  11          1HG       PRO  11  10.736  10.833 -10.435
   60   1HD   PRO  11          2HD       PRO  11   8.022  10.822 -10.326
   61   2HD   PRO  11          1HD       PRO  11   8.872   9.322 -10.757
   62    H    SER  12           H        SER  12  10.948   9.850  -5.721
   63    HA   SER  12           HA       SER  12   8.731  10.890  -4.085
   64   1HB   SER  12          2HB       SER  12  10.947  11.240  -2.559
   65   2HB   SER  12          1HB       SER  12  10.079   9.694  -2.684
   66    HG   SER  12           HG       SER  12  11.896   8.980  -3.541
   67    H    VAL  13           H        VAL  13   8.110  12.726  -4.704
   68    HA   VAL  13           HA       VAL  13   9.720  15.095  -4.267
   69    HB   VAL  13           HB       VAL  13  10.525  14.499  -6.520
   70   1HG1  VAL  13          1HG1      VAL  13   8.632  13.022  -7.204
   71   2HG1  VAL  13          3HG1      VAL  13   7.583  14.419  -7.366
   72   3HG1  VAL  13          2HG1      VAL  13   8.954  14.215  -8.446
   73   1HG2  VAL  13          1HG2      VAL  13  10.145  16.935  -6.189
   74   2HG2  VAL  13          3HG2      VAL  13   9.877  16.469  -7.855
   75   3HG2  VAL  13          2HG2      VAL  13   8.502  16.770  -6.814
   76    H    ARG  14           H        ARG  14   8.353  17.059  -4.596
   77    HA   ARG  14           HA       ARG  14   5.705  16.584  -3.520
   78   1HB   ARG  14          2HB       ARG  14   6.789  19.147  -4.815
   79   2HB   ARG  14          1HB       ARG  14   5.375  19.045  -3.787
   80   1HG   ARG  14          2HG       ARG  14   6.934  18.159  -1.922
   81   2HG   ARG  14          1HG       ARG  14   8.274  18.574  -2.965
   82   1HD   ARG  14          2HD       ARG  14   7.869  20.448  -1.427
   83   2HD   ARG  14          1HD       ARG  14   7.474  20.962  -3.063
   84    HE   ARG  14           HE       ARG  14   5.274  19.900  -1.325
   85   1HH1  ARG  14          1HH2      ARG  14   4.170  21.000  -3.550
   86   2HH1  ARG  14          2HH2      ARG  14   3.925  22.677  -3.264
   87   1HH2  ARG  14          2HH1      ARG  14   6.285  22.598  -0.597
   88   2HH2  ARG  14          1HH1      ARG  14   5.235  23.674  -1.435
   89    H    GLY  15           H        GLY  15   3.704  17.502  -4.662
   90   1HA   GLY  15          2HA       GLY  15   2.387  17.709  -6.665
   91   2HA   GLY  15          1HA       GLY  15   3.836  17.335  -7.622
   92    H    ASN  16           H        ASN  16   4.698  15.054  -6.318
   93    HA   ASN  16           HA       ASN  16   2.910  13.060  -7.419
   94   1HB   ASN  16          2HB       ASN  16   5.451  12.822  -7.388
   95   2HB   ASN  16          1HB       ASN  16   5.369  12.660  -5.638
   96   1HD2  ASN  16          2HD2      ASN  16   5.195   9.173  -6.402
   97   2HD2  ASN  16          1HD2      ASN  16   6.197  10.416  -5.832
   98    H    THR  17           H        THR  17   2.189  11.179  -6.027
   99    HA   THR  17           HA       THR  17   1.691  11.901  -3.228
  100    HB   THR  17           HB       THR  17  -0.588  11.182  -5.182
  101    HG1  THR  17           HG1      THR  17  -0.181  13.216  -5.560
  102   1HG2  THR  17          1HG2      THR  17  -0.713  12.278  -2.306
  103   2HG2  THR  17          3HG2      THR  17  -2.075  11.906  -3.342
  104   3HG2  THR  17          2HG2      THR  17  -1.111  10.598  -2.708
  105    H    LEU  18           H        LEU  18   0.676  10.183  -1.994
  106    HA   LEU  18           HA       LEU  18   1.842   7.571  -2.677
  107   1HB   LEU  18          2HB       LEU  18   0.526   8.792  -0.197
  108   2HB   LEU  18          1HB       LEU  18   0.843   7.076  -0.338
  109    HG   LEU  18           HG       LEU  18   3.067   7.398  -0.676
  110   1HD1  LEU  18          1HD1      LEU  18   2.682  10.435  -0.410
  111   2HD1  LEU  18          3HD1      LEU  18   4.266   9.689  -0.431
  112   3HD1  LEU  18          2HD1      LEU  18   3.259   9.603  -1.846
  113   1HD2  LEU  18          2HD2      LEU  18   2.234   8.924   1.778
  114   2HD2  LEU  18          1HD2      LEU  18   2.620   7.203   1.635
  115   3HD2  LEU  18          3HD2      LEU  18   3.884   8.388   1.496
  116    H    SER  19           H        SER  19   0.443   7.045  -4.408
  117    HA   SER  19           HA       SER  19  -2.454   7.021  -3.885
  118   1HB   SER  19          2HB       SER  19  -0.848   5.990  -6.280
  119   2HB   SER  19          1HB       SER  19  -2.597   6.234  -6.239
  120    HG   SER  19           HG       SER  19  -0.621   8.029  -6.474
  121    H    GLY  20           H        GLY  20  -0.645   5.334  -2.269
  122   1HA   GLY  20          2HA       GLY  20  -2.136   2.886  -2.359
  123   2HA   GLY  20          1HA       GLY  20  -0.386   2.726  -2.404
  124    H    THR  21           H        THR  21  -0.771   1.492  -0.196
  125    HA   THR  21           HA       THR  21  -0.546   3.247   2.009
  126    HB   THR  21           HB       THR  21  -2.610   0.956   1.956
  127    HG1  THR  21           HG1      THR  21  -2.898   3.524   1.293
  128   1HG2  THR  21          3HG2      THR  21  -2.115   2.971   4.191
  129   2HG2  THR  21          2HG2      THR  21  -3.314   1.698   4.180
  130   3HG2  THR  21          1HG2      THR  21  -1.624   1.286   4.267
  131    H    LEU  22           H        LEU  22   0.249   1.975   3.712
  132    HA   LEU  22           HA       LEU  22   1.716  -0.434   2.717
  133   1HB   LEU  22          2HB       LEU  22   3.362   1.003   3.135
  134   2HB   LEU  22          1HB       LEU  22   2.634   1.837   4.501
  135    HG   LEU  22           HG       LEU  22   3.435  -1.103   4.828
  136   1HD1  LEU  22          3HD1      LEU  22   5.351  -0.149   3.522
  137   2HD1  LEU  22          2HD1      LEU  22   5.530   1.114   4.729
  138   3HD1  LEU  22          1HD1      LEU  22   5.816  -0.566   5.152
  139   1HD2  LEU  22          2HD2      LEU  22   3.844   1.364   6.559
  140   2HD2  LEU  22          1HD2      LEU  22   2.505   0.238   6.699
  141   3HD2  LEU  22          3HD2      LEU  22   4.148  -0.299   7.028
  142    H    TRP  23           H        TRP  23   1.568  -2.210   3.793
  143    HA   TRP  23           HA       TRP  23  -0.246  -2.347   6.134
  144   1HB   TRP  23          2HB       TRP  23   0.158  -4.130   3.712
  145   2HB   TRP  23          1HB       TRP  23  -0.517  -4.843   5.180
  146    HD1  TRP  23           HD1      TRP  23  -1.512  -2.456   2.281
  147    HE1  TRP  23           HE1      TRP  23  -3.853  -1.693   2.816
  148    HE3  TRP  23           HE3      TRP  23  -2.014  -4.324   6.927
  149    HZ2  TRP  23           HZ2      TRP  23  -5.785  -1.802   4.949
  150    HZ3  TRP  23           HZ3      TRP  23  -4.084  -3.979   8.217
  151    HH2  TRP  23           HH2      TRP  23  -5.975  -2.719   7.221
  152    H    LEU  24           H        LEU  24   0.364  -3.178   7.859
  153    HA   LEU  24           HA       LEU  24   3.145  -3.998   8.284
  154   1HB   LEU  24          2HB       LEU  24   1.055  -3.942  10.483
  155   2HB   LEU  24          1HB       LEU  24   2.759  -3.585  10.582
  156    HG   LEU  24           HG       LEU  24   0.715  -1.859   9.175
  157   1HD1  LEU  24          1HD1      LEU  24   2.149  -1.452  11.851
  158   2HD1  LEU  24          3HD1      LEU  24   1.085  -0.274  11.109
  159   3HD1  LEU  24          2HD1      LEU  24   0.442  -1.809  11.655
  160   1HD2  LEU  24          3HD2      LEU  24   3.666  -1.351   9.785
  161   2HD2  LEU  24          2HD2      LEU  24   2.986  -1.649   8.198
  162   3HD2  LEU  24          1HD2      LEU  24   2.576  -0.181   9.063
  163    H    TYR  25           H        TYR  25   0.192  -5.230   7.862
  164    HA   TYR  25           HA       TYR  25   0.161  -7.691   9.304
  165   1HB   TYR  25          2HB       TYR  25  -1.068  -6.966   6.601
  166   2HB   TYR  25          1HB       TYR  25  -1.345  -8.496   7.308
  167    HD1  TYR  25           HD2      TYR  25  -1.234  -6.262  10.094
  168    HD2  TYR  25           HD1      TYR  25  -3.720  -7.529   6.873
  169    HE1  TYR  25           HE2      TYR  25  -3.202  -5.541  11.320
  170    HE2  TYR  25           HE1      TYR  25  -5.698  -6.795   8.110
  171    HH   TYR  25           HH       TYR  25  -5.462  -4.944  11.057
  172    HA   PRO  26           HA       PRO  26   3.418  -9.788   7.882
  173   1HB   PRO  26          2HB       PRO  26   2.763 -12.466   8.035
  174   2HB   PRO  26          1HB       PRO  26   2.876 -11.440   9.468
  175   1HG   PRO  26          2HG       PRO  26   0.362 -12.099   7.826
  176   2HG   PRO  26          1HG       PRO  26   0.582 -12.267   9.569
  177   1HD   PRO  26          2HD       PRO  26  -0.603 -10.043   8.570
  178   2HD   PRO  26          1HD       PRO  26   0.546  -9.878   9.916
  179    H    SER  27           H        SER  27   0.838  -9.935   5.922
  180    HA   SER  27           HA       SER  27   2.518 -10.957   3.643
  181   1HB   SER  27          2HB       SER  27   0.448 -11.838   2.632
  182   2HB   SER  27          1HB       SER  27   0.763 -12.620   4.190
  183    HG   SER  27           HG       SER  27  -1.320 -10.964   3.516
  184    H    GLY  28           H        GLY  28   1.447  -8.287   4.887
  185   1HA   GLY  28          2HA       GLY  28   1.165  -6.168   3.956
  186   2HA   GLY  28          1HA       GLY  28   1.484  -6.892   2.394
  187    H    CYS  29           H        CYS  29   0.058  -6.803   1.108
  188    HA   CYS  29           HA       CYS  29  -2.290  -5.544   1.204
  189   1HB   CYS  29          2HB       CYS  29  -0.930  -6.788  -0.768
  190   2HB   CYS  29          1HB       CYS  29  -2.306  -7.858  -0.641
  191    HA   PRO  30           HA       PRO  30  -4.858  -8.612   3.358
  192   1HB   PRO  30          2HB       PRO  30  -6.658  -6.905   4.412
  193   2HB   PRO  30          1HB       PRO  30  -5.036  -7.099   5.080
  194   1HG   PRO  30          2HG       PRO  30  -6.064  -4.832   3.343
  195   2HG   PRO  30          1HG       PRO  30  -4.928  -4.811   4.655
  196   1HD   PRO  30          2HD       PRO  30  -4.333  -4.952   1.869
  197   2HD   PRO  30          1HD       PRO  30  -3.160  -5.192   3.198
  198    H    SER  31           H        SER  31  -6.805  -9.395   2.863
  199    HA   SER  31           HA       SER  31  -7.678  -9.348   0.271
  200   1HB   SER  31          2HB       SER  31  -9.437 -10.078   2.722
  201   2HB   SER  31          1HB       SER  31  -9.473 -10.881   1.140
  202    HG   SER  31           HG       SER  31  -7.955 -12.122   1.963
  203    H    GLY  32           H        GLY  32  -8.530  -8.021  -0.735
  204   1HA   GLY  32          2HA       GLY  32 -10.621  -6.671  -1.227
  205   2HA   GLY  32          1HA       GLY  32 -10.379  -5.982   0.386
  206    H    TRP  33           H        TRP  33  -7.327  -6.565  -0.831
  207    HA   TRP  33           HA       TRP  33  -7.129  -3.878  -1.959
  208   1HB   TRP  33          2HB       TRP  33  -5.257  -5.594  -0.196
  209   2HB   TRP  33          1HB       TRP  33  -4.687  -4.131  -0.922
  210    HD1  TRP  33           HD1      TRP  33  -7.788  -5.041   1.388
  211    HE1  TRP  33           HE1      TRP  33  -8.010  -3.051   2.881
  212    HE3  TRP  33           HE3      TRP  33  -4.054  -2.249  -0.348
  213    HZ2  TRP  33           HZ2      TRP  33  -6.758  -0.445   3.370
  214    HZ3  TRP  33           HZ3      TRP  33  -3.554  -0.051   0.573
  215    HH2  TRP  33           HH2      TRP  33  -4.882   0.877   2.432
  216    H    HIS  34           H        HIS  34  -4.948  -4.033  -3.069
  217    HA   HIS  34           HA       HIS  34  -4.862  -6.245  -4.939
  218   1HB   HIS  34          2HB       HIS  34  -4.992  -3.311  -5.629
  219   2HB   HIS  34          1HB       HIS  34  -4.628  -4.535  -6.846
  220    HD1  HIS  34           HD1      HIS  34  -6.987  -6.296  -5.086
  221    HD2  HIS  34           HD2      HIS  34  -7.315  -2.892  -7.301
  222    HE1  HIS  34           HE1      HIS  34  -9.360  -6.130  -5.760
  223    H    ASN  35           H        ASN  35  -3.004  -3.612  -5.820
  224    HA   ASN  35           HA       ASN  35  -0.555  -4.406  -4.526
  225   1HB   ASN  35          2HB       ASN  35   0.626  -5.225  -6.678
  226   2HB   ASN  35          1HB       ASN  35  -0.539  -6.324  -5.964
  227   1HD2  ASN  35          2HD2      ASN  35  -1.710  -4.512  -9.429
  228   2HD2  ASN  35          1HD2      ASN  35  -0.736  -3.597  -8.378
  229    H    CYS  36           H        CYS  36   0.898  -2.922  -4.551
  230    HA   CYS  36           HA       CYS  36   0.920  -0.837  -6.706
  231   1HB   CYS  36          2HB       CYS  36   0.452  -0.480  -3.774
  232   2HB   CYS  36          1HB       CYS  36   1.575   0.629  -4.476
  233    H    LYS  37           H        LYS  37   2.654  -2.838  -4.528
  234    HA   LYS  37           HA       LYS  37   5.149  -1.962  -5.741
  235   1HB   LYS  37          2HB       LYS  37   4.432  -2.186  -2.846
  236   2HB   LYS  37          1HB       LYS  37   6.088  -2.171  -3.262
  237   1HG   LYS  37          2HG       LYS  37   4.070   0.077  -3.846
  238   2HG   LYS  37          1HG       LYS  37   5.343   0.150  -2.655
  239   1HD   LYS  37          2HD       LYS  37   5.889  -0.082  -5.618
  240   2HD   LYS  37          1HD       LYS  37   5.897   1.390  -4.692
  241   1HE   LYS  37          2HE       LYS  37   7.603   0.403  -3.128
  242   2HE   LYS  37          1HE       LYS  37   7.689  -0.995  -4.199
  243   1HZ   LYS  37          1HZ       LYS  37   7.891   1.338  -5.756
  244   2HZ   LYS  37          3HZ       LYS  37   8.984   1.472  -4.482
  245   3HZ   LYS  37          2HZ       LYS  37   9.051   0.116  -5.503
  246    H    ALA  38           H        ALA  38   5.341  -3.780  -6.879
  247    HA   ALA  38           HA       ALA  38   5.001  -6.441  -5.678
  248   1HB   ALA  38          2HB       ALA  38   6.127  -5.602  -8.407
  249   2HB   ALA  38          1HB       ALA  38   5.731  -7.249  -7.949
  250   3HB   ALA  38          3HB       ALA  38   4.454  -6.046  -8.100
  251    H    HIS  39           H        HIS  39   7.231  -4.271  -5.159
  252    HA   HIS  39           HA       HIS  39   9.477  -6.243  -5.027
  253   1HB   HIS  39          2HB       HIS  39   9.583  -3.244  -5.592
  254   2HB   HIS  39          1HB       HIS  39  11.010  -4.193  -5.212
  255    HD1  HIS  39           HD1      HIS  39  10.923  -6.516  -6.843
  256    HD2  HIS  39           HD2      HIS  39   9.234  -3.106  -8.317
  257    HE1  HIS  39           HE1      HIS  39  10.812  -6.795  -9.303
  258    H    GLY  40           H        GLY  40   8.789  -3.109  -3.440
  259   1HA   GLY  40          2HA       GLY  40   8.812  -4.213  -0.795
  260   2HA   GLY  40          1HA       GLY  40  10.335  -3.417  -1.213
  261    HA   PRO  41           HA       PRO  41  11.014  -1.589  -0.154
  262   1HB   PRO  41          2HB       PRO  41  10.935  -0.284   2.210
  263   2HB   PRO  41          1HB       PRO  41  10.658   0.597   0.704
  264   1HG   PRO  41          2HG       PRO  41   8.546  -0.581   2.599
  265   2HG   PRO  41          1HG       PRO  41   8.632   1.063   1.958
  266   1HD   PRO  41          2HD       PRO  41   7.097  -0.915   0.760
  267   2HD   PRO  41          1HD       PRO  41   7.813   0.385  -0.207
  268    H    THR  42           H        THR  42  12.320  -2.531   1.516
  269    HA   THR  42           HA       THR  42  11.347  -5.102   2.275
  270    HB   THR  42           HB       THR  42  13.919  -4.343   3.544
  271    HG1  THR  42           HG1      THR  42  14.782  -3.227   1.939
  272   1HG2  THR  42          1HG2      THR  42  13.337  -6.628   2.511
  273   2HG2  THR  42          3HG2      THR  42  13.375  -5.864   0.929
  274   3HG2  THR  42          2HG2      THR  42  14.837  -5.959   1.897
  275    H    ILE  43           H        ILE  43   9.827  -2.997   3.565
  276    HA   ILE  43           HA       ILE  43  10.021  -4.005   6.322
  277    HB   ILE  43           HB       ILE  43  11.545  -2.063   6.353
  278   1HG1  ILE  43          2HG1      ILE  43   8.913  -1.331   7.721
  279   2HG1  ILE  43          1HG1      ILE  43  10.058  -2.508   8.336
  280   1HG2  ILE  43          2HG2      ILE  43  10.654  -0.803   4.414
  281   2HG2  ILE  43          1HG2      ILE  43   9.225  -0.362   5.331
  282   3HG2  ILE  43          3HG2      ILE  43  10.796   0.244   5.805
  283   1HD1  ILE  43          2HD1      ILE  43  11.808  -0.729   8.499
  284   2HD1  ILE  43          1HD1      ILE  43  10.647   0.460   7.920
  285   3HD1  ILE  43          3HD1      ILE  43  10.385  -0.343   9.451
  286    H    GLY  44           H        GLY  44   7.998  -4.614   6.739
  287   1HA   GLY  44          2HA       GLY  44   5.607  -4.640   6.781
  288   2HA   GLY  44          1HA       GLY  44   5.668  -2.894   6.448
  289    H    TRP  45           H        TRP  45   3.901  -3.365   4.734
  290    HA   TRP  45           HA       TRP  45   5.243  -4.287   2.218
  291   1HB   TRP  45          2HB       TRP  45   2.433  -4.905   3.030
  292   2HB   TRP  45          1HB       TRP  45   3.175  -5.408   1.532
  293    HD1  TRP  45           HD1      TRP  45   3.509  -6.150   5.398
  294    HE1  TRP  45           HE1      TRP  45   4.189  -8.556   5.511
  295    HE3  TRP  45           HE3      TRP  45   4.125  -7.122   0.511
  296    HZ2  TRP  45           HZ2      TRP  45   4.928 -10.758   3.753
  297    HZ3  TRP  45           HZ3      TRP  45   4.815  -9.352  -0.286
  298    HH2  TRP  45           HH2      TRP  45   5.223 -11.175   1.340
  299    H    CYS  46           H        CYS  46   4.255  -3.404   0.349
  300    HA   CYS  46           HA       CYS  46   2.666  -0.926   0.862
  301   1HB   CYS  46          2HB       CYS  46   5.062  -1.522  -0.793
  302   2HB   CYS  46          1HB       CYS  46   3.939  -0.336  -1.384
  303    H    CYS  47           H        CYS  47   0.678  -1.147   0.076
  304    HA   CYS  47           HA       CYS  47   0.242  -2.267  -2.599
  305   1HB   CYS  47          2HB       CYS  47   0.092  -4.103  -0.693
  306   2HB   CYS  47          1HB       CYS  47  -1.433  -3.347  -0.310
  307    H    LYS  48           H        LYS  48  -2.465  -2.192  -2.716
  308    HA   LYS  48           HA       LYS  48  -3.419   0.230  -1.329
  309   1HB   LYS  48          2HB       LYS  48  -2.230   1.063  -3.398
  310   2HB   LYS  48          1HB       LYS  48  -3.322   0.104  -4.374
  311   1HG   LYS  48          2HG       LYS  48  -4.724   1.791  -2.304
  312   2HG   LYS  48          1HG       LYS  48  -3.829   2.731  -3.442
  313   1HD   LYS  48          2HD       LYS  48  -5.531   0.511  -4.550
  314   2HD   LYS  48          1HD       LYS  48  -6.362   1.930  -3.973
  315   1HE   LYS  48          2HE       LYS  48  -3.974   2.012  -5.874
  316   2HE   LYS  48          1HE       LYS  48  -5.650   2.015  -6.419
  317   1HZ   LYS  48          3HZ       LYS  48  -5.481   3.919  -4.405
  318   2HZ   LYS  48          2HZ       LYS  48  -4.083   4.142  -5.334
  319   3HZ   LYS  48          1HZ       LYS  48  -5.641   4.221  -6.077
  320    H    GLN  49           H        GLN  49  -5.791   0.417  -1.514
  321    HA   GLN  49           HA       GLN  49  -7.013  -2.043  -1.617
  322   1HB   GLN  49          2HB       GLN  49  -7.435   0.425  -0.373
  323   2HB   GLN  49          1HB       GLN  49  -8.620   0.486  -1.682
  324   1HG   GLN  49          2HG       GLN  49  -9.146  -1.824  -1.148
  325   2HG   GLN  49          1HG       GLN  49  -8.167  -1.665   0.305
  326   1HE2  GLN  49          2HE2      GLN  49 -11.733  -0.956   1.236
  327   2HE2  GLN  49          1HE2      GLN  49 -10.984  -2.282   0.473
   
  No H/Q in entry =         327
  Start of MODEL           9
 Raw file had  333 H/Q atoms
  Start of MODEL    9
    1   1H    GLY   1          2H        GLY   1  -2.183   4.066  10.589
    2   2H    GLY   1          1H        GLY   1  -3.820   3.713  10.304
    3   3H    GLY   1          3H        GLY   1  -2.840   2.596  11.136
    4   1HA   GLY   1          2HA       GLY   1  -2.261   1.636   9.201
    5   2HA   GLY   1          1HA       GLY   1  -3.248   2.833   8.334
    6    H    VAL   2           H        VAL   2  -1.090   2.351   6.924
    7    HA   VAL   2           HA       VAL   2   0.727   4.637   7.400
    8    HB   VAL   2           HB       VAL   2   1.604   1.871   6.487
    9   1HG1  VAL   2          2HG1      VAL   2   3.103   3.711   5.733
   10   2HG1  VAL   2          1HG1      VAL   2   3.263   4.275   7.388
   11   3HG1  VAL   2          3HG1      VAL   2   3.918   2.718   6.919
   12   1HG2  VAL   2          1HG2      VAL   2   1.877   3.018   9.288
   13   2HG2  VAL   2          3HG2      VAL   2   0.918   1.624   8.818
   14   3HG2  VAL   2          2HG2      VAL   2   2.662   1.553   8.725
   15    H    SER   3           H        SER   3   1.452   5.505   5.385
   16    HA   SER   3           HA       SER   3  -0.165   4.715   3.038
   17   1HB   SER   3          2HB       SER   3   1.433   7.188   3.710
   18   2HB   SER   3          1HB       SER   3   0.598   7.080   2.188
   19    HG   SER   3           HG       SER   3  -1.194   7.427   3.258
   20    H    CYS   4           H        CYS   4   1.046   5.279   0.918
   21    HA   CYS   4           HA       CYS   4   3.855   4.900   0.697
   22   1HB   CYS   4          2HB       CYS   4   3.121   2.548   1.450
   23   2HB   CYS   4          1HB       CYS   4   2.269   2.421  -0.076
   24    H    LEU   5           H        LEU   5   4.432   4.213  -1.569
   25    HA   LEU   5           HA       LEU   5   2.565   5.387  -3.570
   26   1HB   LEU   5          2HB       LEU   5   5.539   5.579  -3.090
   27   2HB   LEU   5          1HB       LEU   5   5.033   5.497  -4.752
   28    HG   LEU   5           HG       LEU   5   3.783   7.466  -2.775
   29   1HD1  LEU   5          2HD1      LEU   5   6.168   7.911  -4.618
   30   2HD1  LEU   5          1HD1      LEU   5   5.380   9.155  -3.652
   31   3HD1  LEU   5          3HD1      LEU   5   6.247   7.844  -2.868
   32   1HD2  LEU   5          2HD2      LEU   5   4.048   7.520  -5.816
   33   2HD2  LEU   5          1HD2      LEU   5   2.578   7.126  -4.957
   34   3HD2  LEU   5          3HD2      LEU   5   3.243   8.739  -4.838
   35    H    CYS   6           H        CYS   6   2.964   4.390  -5.731
   36    HA   CYS   6           HA       CYS   6   3.208   1.425  -5.362
   37   1HB   CYS   6          2HB       CYS   6   2.041   3.062  -7.620
   38   2HB   CYS   6          1HB       CYS   6   1.896   1.328  -7.464
   39    H    ASP   7           H        ASP   7   4.130   0.214  -7.384
   40    HA   ASP   7           HA       ASP   7   6.808   1.342  -7.876
   41   1HB   ASP   7          2HB       ASP   7   5.469  -1.328  -8.224
   42   2HB   ASP   7          1HB       ASP   7   6.735  -0.911  -9.364
   43    H    SER   8           H        SER   8   4.287   2.276  -9.014
   44    HA   SER   8           HA       SER   8   4.877   2.502 -11.911
   45   1HB   SER   8          2HB       SER   8   2.438   3.377 -11.950
   46   2HB   SER   8          1HB       SER   8   2.555   1.685 -11.428
   47    HG   SER   8           HG       SER   8   1.885   3.950  -9.999
   48    H    ASP   9           H        ASP   9   3.780   4.207  -9.106
   49    HA   ASP   9           HA       ASP   9   4.414   6.855 -10.189
   50   1HB   ASP   9          2HB       ASP   9   3.320   6.077  -7.450
   51   2HB   ASP   9          1HB       ASP   9   3.340   7.687  -8.092
   52    H    GLY  10           H        GLY  10   5.304   8.403  -8.531
   53   1HA   GLY  10          2HA       GLY  10   7.028   8.093  -6.511
   54   2HA   GLY  10          1HA       GLY  10   8.018   7.634  -7.912
   55    HA   PRO  11           HA       PRO  11   6.701  11.934  -9.122
   56   1HB   PRO  11          2HB       PRO  11   4.970  13.485  -7.760
   57   2HB   PRO  11          1HB       PRO  11   4.379  12.084  -8.668
   58   1HG   PRO  11          2HG       PRO  11   5.162  12.210  -5.719
   59   2HG   PRO  11          1HG       PRO  11   3.606  11.671  -6.373
   60   1HD   PRO  11          2HD       PRO  11   5.577   9.872  -5.762
   61   2HD   PRO  11          1HD       PRO  11   4.566   9.610  -7.202
   62    H    SER  12           H        SER  12   8.183  13.507  -9.051
   63    HA   SER  12           HA       SER  12   9.665  13.971  -6.570
   64   1HB   SER  12          2HB       SER  12  11.146  15.258  -8.393
   65   2HB   SER  12          1HB       SER  12  11.044  13.496  -8.519
   66    HG   SER  12           HG       SER  12  10.141  15.310 -10.269
   67    H    VAL  13           H        VAL  13  10.380  16.268  -6.225
   68    HA   VAL  13           HA       VAL  13   9.977  18.486  -5.729
   69    HB   VAL  13           HB       VAL  13   7.834  18.320  -7.922
   70   1HG1  VAL  13          1HG1      VAL  13   9.261  20.781  -6.850
   71   2HG1  VAL  13          3HG1      VAL  13   8.210  20.728  -8.252
   72   3HG1  VAL  13          2HG1      VAL  13   7.543  20.388  -6.682
   73   1HG2  VAL  13          3HG2      VAL  13  10.794  19.049  -8.167
   74   2HG2  VAL  13          2HG2      VAL  13  10.033  17.594  -8.785
   75   3HG2  VAL  13          1HG2      VAL  13   9.605  19.147  -9.457
   76    H    ARG  14           H        ARG  14   8.343  19.987  -4.917
   77    HA   ARG  14           HA       ARG  14   6.852  18.817  -2.796
   78   1HB   ARG  14          2HB       ARG  14   5.822  21.161  -2.596
   79   2HB   ARG  14          1HB       ARG  14   7.570  21.134  -2.560
   80   1HG   ARG  14          2HG       ARG  14   7.676  21.811  -4.938
   81   2HG   ARG  14          1HG       ARG  14   5.940  21.684  -5.105
   82   1HD   ARG  14          2HD       ARG  14   7.367  23.591  -3.195
   83   2HD   ARG  14          1HD       ARG  14   6.822  24.039  -4.806
   84    HE   ARG  14           HE       ARG  14   4.485  23.630  -4.068
   85   1HH1  ARG  14          2HH1      ARG  14   3.939  22.249  -1.945
   86   2HH1  ARG  14          1HH1      ARG  14   4.142  23.198  -0.523
   87   1HH2  ARG  14          1HH2      ARG  14   6.123  25.557  -2.291
   88   2HH2  ARG  14          2HH2      ARG  14   5.491  25.219  -0.729
   89    H    GLY  15           H        GLY  15   4.673  18.392  -2.587
   90   1HA   GLY  15          2HA       GLY  15   2.341  18.593  -3.458
   91   2HA   GLY  15          1HA       GLY  15   3.016  18.518  -5.092
   92    H    ASN  16           H        ASN  16   4.860  16.563  -3.440
   93    HA   ASN  16           HA       ASN  16   4.170  14.137  -4.582
   94   1HB   ASN  16          2HB       ASN  16   6.298  14.345  -3.442
   95   2HB   ASN  16          1HB       ASN  16   5.491  14.661  -1.890
   96   1HD2  ASN  16          2HD2      ASN  16   5.585  11.209  -1.217
   97   2HD2  ASN  16          1HD2      ASN  16   5.810  12.776  -0.594
   98    H    THR  17           H        THR  17   3.219  12.255  -3.806
   99    HA   THR  17           HA       THR  17   1.319  12.407  -1.580
  100    HB   THR  17           HB       THR  17  -0.526  11.517  -3.352
  101    HG1  THR  17           HG1      THR  17   0.227  11.630  -5.352
  102   1HG2  THR  17          2HG2      THR  17   0.468  14.415  -3.614
  103   2HG2  THR  17          1HG2      THR  17  -1.135  13.823  -3.992
  104   3HG2  THR  17          3HG2      THR  17  -0.590  13.872  -2.326
  105    H    LEU  18           H        LEU  18   0.003  10.253  -1.484
  106    HA   LEU  18           HA       LEU  18   1.866   7.939  -1.875
  107   1HB   LEU  18          2HB       LEU  18  -0.319   8.314   0.232
  108   2HB   LEU  18          1HB       LEU  18   0.767   6.949   0.108
  109    HG   LEU  18           HG       LEU  18   2.176   9.423   0.077
  110   1HD1  LEU  18          2HD1      LEU  18   0.539   9.145   2.620
  111   2HD1  LEU  18          1HD1      LEU  18   1.908  10.215   2.437
  112   3HD1  LEU  18          3HD1      LEU  18   0.482  10.444   1.455
  113   1HD2  LEU  18          1HD2      LEU  18   2.673   7.126   1.928
  114   2HD2  LEU  18          3HD2      LEU  18   3.482   7.572   0.451
  115   3HD2  LEU  18          2HD2      LEU  18   3.616   8.590   1.860
  116    H    SER  19           H        SER  19   1.113   7.055  -3.733
  117    HA   SER  19           HA       SER  19  -1.763   7.001  -4.330
  118   1HB   SER  19          2HB       SER  19  -1.017   5.704  -6.411
  119   2HB   SER  19          1HB       SER  19  -0.298   7.302  -6.229
  120    HG   SER  19           HG       SER  19   1.278   6.021  -6.617
  121    H    GLY  20           H        GLY  20   0.126   4.973  -2.511
  122   1HA   GLY  20          2HA       GLY  20  -1.797   2.829  -2.764
  123   2HA   GLY  20          1HA       GLY  20  -0.075   2.449  -2.627
  124    H    THR  21           H        THR  21  -0.682   1.366  -0.464
  125    HA   THR  21           HA       THR  21  -0.505   3.219   1.677
  126    HB   THR  21           HB       THR  21  -2.689   1.080   1.470
  127    HG1  THR  21           HG1      THR  21  -2.551   3.729   0.690
  128   1HG2  THR  21          3HG2      THR  21  -2.423   3.377   3.469
  129   2HG2  THR  21          2HG2      THR  21  -3.692   2.169   3.441
  130   3HG2  THR  21          1HG2      THR  21  -2.059   1.702   3.864
  131    H    LEU  22           H        LEU  22   0.055   1.948   3.456
  132    HA   LEU  22           HA       LEU  22   1.433  -0.587   2.692
  133   1HB   LEU  22          2HB       LEU  22   3.026   1.065   3.056
  134   2HB   LEU  22          1HB       LEU  22   2.374   1.624   4.581
  135    HG   LEU  22           HG       LEU  22   3.443  -1.238   4.136
  136   1HD1  LEU  22          2HD1      LEU  22   5.223   0.429   3.536
  137   2HD1  LEU  22          1HD1      LEU  22   5.011   1.208   5.094
  138   3HD1  LEU  22          3HD1      LEU  22   5.629  -0.433   4.999
  139   1HD2  LEU  22          2HD2      LEU  22   2.154  -0.808   6.315
  140   2HD2  LEU  22          1HD2      LEU  22   3.841  -1.178   6.544
  141   3HD2  LEU  22          3HD2      LEU  22   3.288   0.477   6.658
  142    H    TRP  23           H        TRP  23   1.332  -2.159   3.873
  143    HA   TRP  23           HA       TRP  23  -0.462  -2.252   6.238
  144   1HB   TRP  23          2HB       TRP  23  -0.165  -4.102   3.812
  145   2HB   TRP  23          1HB       TRP  23  -0.978  -4.651   5.275
  146    HD1  TRP  23           HD1      TRP  23  -1.634  -2.359   2.180
  147    HE1  TRP  23           HE1      TRP  23  -3.933  -1.419   2.508
  148    HE3  TRP  23           HE3      TRP  23  -2.503  -3.905   6.881
  149    HZ2  TRP  23           HZ2      TRP  23  -5.987  -1.277   4.530
  150    HZ3  TRP  23           HZ3      TRP  23  -4.630  -3.341   8.012
  151    HH2  TRP  23           HH2      TRP  23  -6.364  -2.048   6.846
  152    H    LEU  24           H        LEU  24   0.470  -3.026   7.992
  153    HA   LEU  24           HA       LEU  24   3.251  -3.973   7.945
  154   1HB   LEU  24          2HB       LEU  24   1.410  -3.689  10.369
  155   2HB   LEU  24          1HB       LEU  24   3.154  -3.719  10.362
  156    HG   LEU  24           HG       LEU  24   1.583  -1.595   8.931
  157   1HD1  LEU  24          2HD1      LEU  24   2.701  -1.532  11.800
  158   2HD1  LEU  24          1HD1      LEU  24   2.000  -0.146  10.989
  159   3HD1  LEU  24          3HD1      LEU  24   0.997  -1.527  11.380
  160   1HD2  LEU  24          3HD2      LEU  24   4.072  -1.901   8.389
  161   2HD2  LEU  24          2HD2      LEU  24   3.797  -0.349   9.155
  162   3HD2  LEU  24          1HD2      LEU  24   4.456  -1.686  10.076
  163    H    TYR  25           H        TYR  25   0.189  -4.922   8.073
  164    HA   TYR  25           HA       TYR  25  -0.078  -7.305   9.481
  165   1HB   TYR  25          2HB       TYR  25  -1.143  -6.609   6.714
  166   2HB   TYR  25          1HB       TYR  25  -1.658  -8.025   7.521
  167    HD1  TYR  25           HD2      TYR  25  -1.170  -5.289   9.917
  168    HD2  TYR  25           HD1      TYR  25  -3.901  -7.094   7.179
  169    HE1  TYR  25           HE2      TYR  25  -3.047  -4.192  11.037
  170    HE2  TYR  25           HE1      TYR  25  -5.761  -5.999   8.304
  171    HH   TYR  25           HH       TYR  25  -6.342  -4.919  10.273
  172    HA   PRO  26           HA       PRO  26   2.985  -9.767   8.253
  173   1HB   PRO  26          2HB       PRO  26   2.112 -12.351   8.629
  174   2HB   PRO  26          1HB       PRO  26   2.263 -11.226   9.980
  175   1HG   PRO  26          2HG       PRO  26  -0.247 -11.823   8.305
  176   2HG   PRO  26          1HG       PRO  26  -0.096 -11.861  10.062
  177   1HD   PRO  26          2HD       PRO  26  -1.068  -9.642   8.846
  178   2HD   PRO  26          1HD       PRO  26   0.045  -9.463  10.223
  179    H    SER  27           H        SER  27   0.352  -9.857   6.372
  180    HA   SER  27           HA       SER  27   1.869 -11.108   4.105
  181   1HB   SER  27          2HB       SER  27  -0.287 -11.978   3.285
  182   2HB   SER  27          1HB       SER  27   0.108 -12.677   4.867
  183    HG   SER  27           HG       SER  27  -1.852 -10.825   4.210
  184    H    GLY  28           H        GLY  28   1.300  -8.345   5.124
  185   1HA   GLY  28          2HA       GLY  28   0.941  -6.257   4.189
  186   2HA   GLY  28          1HA       GLY  28   1.139  -7.082   2.655
  187    H    CYS  29           H        CYS  29  -0.241  -6.855   1.391
  188    HA   CYS  29           HA       CYS  29  -2.488  -5.437   1.475
  189   1HB   CYS  29          2HB       CYS  29  -1.183  -6.701  -0.502
  190   2HB   CYS  29          1HB       CYS  29  -2.606  -7.707  -0.415
  191    HA   PRO  30           HA       PRO  30  -5.129  -8.331   3.730
  192   1HB   PRO  30          2HB       PRO  30  -6.976  -6.489   4.596
  193   2HB   PRO  30          1HB       PRO  30  -5.410  -6.737   5.369
  194   1HG   PRO  30          2HG       PRO  30  -6.219  -4.467   3.525
  195   2HG   PRO  30          1HG       PRO  30  -5.076  -4.510   4.850
  196   1HD   PRO  30          2HD       PRO  30  -4.479  -4.734   2.094
  197   2HD   PRO  30          1HD       PRO  30  -3.348  -5.050   3.441
  198    H    SER  31           H        SER  31  -6.769  -9.348   3.073
  199    HA   SER  31           HA       SER  31  -7.663  -9.313   0.469
  200   1HB   SER  31          2HB       SER  31  -9.611 -10.863   1.625
  201   2HB   SER  31          1HB       SER  31  -7.930 -11.420   1.761
  202    HG   SER  31           HG       SER  31  -9.247  -9.623   3.529
  203    H    GLY  32           H        GLY  32  -8.410  -7.736  -0.313
  204   1HA   GLY  32          2HA       GLY  32 -10.786  -6.721  -0.763
  205   2HA   GLY  32          1HA       GLY  32 -10.459  -5.957   0.810
  206    H    TRP  33           H        TRP  33  -7.416  -6.457  -0.398
  207    HA   TRP  33           HA       TRP  33  -7.260  -3.886  -1.752
  208   1HB   TRP  33          2HB       TRP  33  -5.441  -5.437   0.195
  209   2HB   TRP  33          1HB       TRP  33  -4.827  -4.093  -0.729
  210    HD1  TRP  33           HD1      TRP  33  -7.934  -4.629   1.634
  211    HE1  TRP  33           HE1      TRP  33  -8.148  -2.385   2.770
  212    HE3  TRP  33           HE3      TRP  33  -4.162  -2.207  -0.533
  213    HZ2  TRP  33           HZ2      TRP  33  -6.829   0.275   2.791
  214    HZ3  TRP  33           HZ3      TRP  33  -3.618   0.095  -0.033
  215    HH2  TRP  33           HH2      TRP  33  -4.901   1.359   1.617
  216    H    HIS  34           H        HIS  34  -4.957  -4.198  -2.832
  217    HA   HIS  34           HA       HIS  34  -4.945  -6.585  -4.477
  218   1HB   HIS  34          2HB       HIS  34  -4.874  -3.739  -5.499
  219   2HB   HIS  34          1HB       HIS  34  -4.681  -5.140  -6.545
  220    HD1  HIS  34           HD1      HIS  34  -7.155  -6.468  -4.646
  221    HD2  HIS  34           HD2      HIS  34  -7.249  -3.190  -7.075
  222    HE1  HIS  34           HE1      HIS  34  -9.517  -6.104  -5.245
  223    H    ASN  35           H        ASN  35  -2.983  -4.109  -5.556
  224    HA   ASN  35           HA       ASN  35  -0.546  -4.782  -4.127
  225   1HB   ASN  35          2HB       ASN  35   0.695  -5.705  -6.159
  226   2HB   ASN  35          1HB       ASN  35  -0.508  -6.791  -5.494
  227   1HD2  ASN  35          2HD2      ASN  35  -1.516  -5.064  -9.048
  228   2HD2  ASN  35          1HD2      ASN  35  -0.699  -4.056  -7.949
  229    H    CYS  36           H        CYS  36   1.157  -3.349  -4.567
  230    HA   CYS  36           HA       CYS  36   0.839  -1.467  -6.853
  231   1HB   CYS  36          2HB       CYS  36   0.174  -0.738  -4.091
  232   2HB   CYS  36          1HB       CYS  36   1.525   0.211  -4.641
  233    H    LYS  37           H        LYS  37   2.777  -2.168  -3.904
  234    HA   LYS  37           HA       LYS  37   5.129  -1.526  -5.518
  235   1HB   LYS  37          2HB       LYS  37   4.656  -1.989  -2.610
  236   2HB   LYS  37          1HB       LYS  37   6.255  -1.856  -3.166
  237   1HG   LYS  37          2HG       LYS  37   4.162   0.326  -3.444
  238   2HG   LYS  37          1HG       LYS  37   5.531   0.358  -2.350
  239   1HD   LYS  37          2HD       LYS  37   5.752   0.396  -5.364
  240   2HD   LYS  37          1HD       LYS  37   5.977   1.758  -4.279
  241   1HE   LYS  37          2HE       LYS  37   7.876   0.461  -3.181
  242   2HE   LYS  37          1HE       LYS  37   7.653  -0.788  -4.398
  243   1HZ   LYS  37          1HZ       LYS  37   7.762   1.679  -5.708
  244   2HZ   LYS  37          3HZ       LYS  37   9.111   1.585  -4.678
  245   3HZ   LYS  37          2HZ       LYS  37   8.782   0.370  -5.837
  246    H    ALA  38           H        ALA  38   5.728  -3.195  -6.676
  247    HA   ALA  38           HA       ALA  38   5.512  -5.963  -5.604
  248   1HB   ALA  38          3HB       ALA  38   4.728  -5.506  -7.991
  249   2HB   ALA  38          2HB       ALA  38   6.352  -4.962  -8.373
  250   3HB   ALA  38          1HB       ALA  38   6.075  -6.644  -7.958
  251    H    HIS  39           H        HIS  39   7.565  -3.520  -5.382
  252    HA   HIS  39           HA       HIS  39   9.936  -5.376  -5.291
  253   1HB   HIS  39          2HB       HIS  39   9.944  -2.494  -6.318
  254   2HB   HIS  39          1HB       HIS  39  11.317  -3.601  -6.330
  255    HD1  HIS  39           HD1      HIS  39   9.551  -6.053  -7.423
  256    HD2  HIS  39           HD2      HIS  39   9.631  -2.308  -9.049
  257    HE1  HIS  39           HE1      HIS  39   8.867  -6.297  -9.790
  258    H    GLY  40           H        GLY  40   9.916  -1.962  -4.456
  259   1HA   GLY  40          2HA       GLY  40  11.066  -2.649  -1.820
  260   2HA   GLY  40          1HA       GLY  40  10.901  -1.015  -2.475
  261    HA   PRO  41           HA       PRO  41  11.072  -0.194  -0.414
  262   1HB   PRO  41          2HB       PRO  41  10.395   0.972   1.844
  263   2HB   PRO  41          1HB       PRO  41   9.626   1.515   0.347
  264   1HG   PRO  41          2HG       PRO  41   8.520  -0.517   2.390
  265   2HG   PRO  41          1HG       PRO  41   7.715   0.905   1.737
  266   1HD   PRO  41          2HD       PRO  41   7.385  -1.630   0.628
  267   2HD   PRO  41          1HD       PRO  41   7.244  -0.149  -0.336
  268    H    THR  42           H        THR  42  10.511  -3.066   0.184
  269    HA   THR  42           HA       THR  42  11.536  -4.762   1.344
  270    HB   THR  42           HB       THR  42  13.316  -2.496   2.430
  271    HG1  THR  42           HG1      THR  42  14.568  -3.859   0.656
  272   1HG2  THR  42          1HG2      THR  42  13.907  -5.504   2.118
  273   2HG2  THR  42          3HG2      THR  42  15.024  -4.302   2.758
  274   3HG2  THR  42          2HG2      THR  42  13.603  -4.753   3.670
  275    H    ILE  43           H        ILE  43  10.285  -2.136   3.163
  276    HA   ILE  43           HA       ILE  43  10.053  -3.884   5.589
  277    HB   ILE  43           HB       ILE  43   9.782  -0.843   5.341
  278   1HG1  ILE  43          2HG1      ILE  43  12.013  -2.611   6.492
  279   2HG1  ILE  43          1HG1      ILE  43  12.111  -1.670   5.023
  280   1HG2  ILE  43          2HG2      ILE  43   9.767  -2.603   7.857
  281   2HG2  ILE  43          1HG2      ILE  43   9.724  -0.849   7.846
  282   3HG2  ILE  43          3HG2      ILE  43   8.377  -1.749   7.204
  283   1HD1  ILE  43          2HD1      ILE  43  11.862   0.437   6.314
  284   2HD1  ILE  43          1HD1      ILE  43  11.790  -0.477   7.815
  285   3HD1  ILE  43          3HD1      ILE  43  13.251  -0.488   6.855
  286    H    GLY  44           H        GLY  44   8.118  -4.459   6.368
  287   1HA   GLY  44          2HA       GLY  44   5.788  -4.957   6.342
  288   2HA   GLY  44          1HA       GLY  44   5.589  -3.225   6.034
  289    H    TRP  45           H        TRP  45   3.822  -3.671   4.493
  290    HA   TRP  45           HA       TRP  45   4.918  -4.590   1.864
  291   1HB   TRP  45          2HB       TRP  45   2.125  -5.187   2.766
  292   2HB   TRP  45          1HB       TRP  45   2.943  -5.824   1.366
  293    HD1  TRP  45           HD1      TRP  45   3.524  -6.104   5.293
  294    HE1  TRP  45           HE1      TRP  45   3.990  -8.536   5.675
  295    HE3  TRP  45           HE3      TRP  45   3.359  -7.792   0.563
  296    HZ2  TRP  45           HZ2      TRP  45   4.269 -11.025   4.186
  297    HZ3  TRP  45           HZ3      TRP  45   3.717 -10.176   0.035
  298    HH2  TRP  45           HH2      TRP  45   4.179 -11.788   1.847
  299    H    CYS  46           H        CYS  46   4.504  -3.129   0.341
  300    HA   CYS  46           HA       CYS  46   2.581  -0.922   0.854
  301   1HB   CYS  46          2HB       CYS  46   5.053  -1.344  -0.733
  302   2HB   CYS  46          1HB       CYS  46   3.912  -0.182  -1.338
  303    H    CYS  47           H        CYS  47   0.657  -1.254   0.058
  304    HA   CYS  47           HA       CYS  47   0.293  -2.452  -2.634
  305   1HB   CYS  47          2HB       CYS  47  -0.098  -4.003  -0.599
  306   2HB   CYS  47          1HB       CYS  47  -1.519  -3.039  -0.288
  307    H    LYS  48           H        LYS  48  -2.468  -2.322  -2.703
  308    HA   LYS  48           HA       LYS  48  -3.323   0.432  -2.054
  309   1HB   LYS  48          2HB       LYS  48  -4.072   0.865  -4.421
  310   2HB   LYS  48          1HB       LYS  48  -2.335   0.793  -4.309
  311   1HG   LYS  48          2HG       LYS  48  -2.142  -1.231  -5.349
  312   2HG   LYS  48          1HG       LYS  48  -3.696  -1.851  -4.884
  313   1HD   LYS  48          2HD       LYS  48  -3.476   0.408  -6.912
  314   2HD   LYS  48          1HD       LYS  48  -3.153  -1.237  -7.377
  315   1HE   LYS  48          2HE       LYS  48  -5.489  -0.892  -7.901
  316   2HE   LYS  48          1HE       LYS  48  -5.473  -1.877  -6.454
  317   1HZ   LYS  48          1HZ       LYS  48  -5.528   0.790  -5.615
  318   2HZ   LYS  48          3HZ       LYS  48  -6.742   0.593  -6.770
  319   3HZ   LYS  48          2HZ       LYS  48  -6.699  -0.388  -5.440
  320    H    GLN  49           H        GLN  49  -5.731   0.617  -2.227
  321    HA   GLN  49           HA       GLN  49  -6.998  -1.914  -2.075
  322   1HB   GLN  49          2HB       GLN  49  -7.026   0.247  -0.409
  323   2HB   GLN  49          1HB       GLN  49  -8.115   0.912  -1.629
  324   1HG   GLN  49          2HG       GLN  49  -9.312  -1.056  -1.621
  325   2HG   GLN  49          1HG       GLN  49  -8.246  -1.726  -0.346
  326   1HE2  GLN  49          2HE2      GLN  49 -10.921  -0.627   1.800
  327   2HE2  GLN  49          1HE2      GLN  49 -10.339  -1.989   0.955
   
  No H/Q in entry =         327
  Start of MODEL          10
 Raw file had  333 H/Q atoms
  Start of MODEL   10
    1   1H    GLY   1          2H        GLY   1  -0.560   5.086  10.639
    2   2H    GLY   1          1H        GLY   1  -2.181   4.576  10.719
    3   3H    GLY   1          3H        GLY   1  -0.963   3.679  11.494
    4   1HA   GLY   1          2HA       GLY   1  -0.623   2.481   9.632
    5   2HA   GLY   1          1HA       GLY   1  -1.869   3.449   8.814
    6    H    VAL   2           H        VAL   2  -0.033   3.028   7.038
    7    HA   VAL   2           HA       VAL   2   1.526   5.516   6.874
    8    HB   VAL   2           HB       VAL   2   2.788   2.818   6.262
    9   1HG1  VAL   2          3HG1      VAL   2   4.035   5.584   6.572
   10   2HG1  VAL   2          2HG1      VAL   2   4.921   4.105   6.256
   11   3HG1  VAL   2          1HG1      VAL   2   3.800   4.717   5.059
   12   1HG2  VAL   2          2HG2      VAL   2   3.208   4.438   8.802
   13   2HG2  VAL   2          1HG2      VAL   2   2.439   2.860   8.700
   14   3HG2  VAL   2          3HG2      VAL   2   4.141   3.020   8.330
   15    H    SER   3           H        SER   3   1.712   6.154   4.773
   16    HA   SER   3           HA       SER   3  -0.008   4.840   2.779
   17   1HB   SER   3          2HB       SER   3   1.490   7.438   2.866
   18   2HB   SER   3          1HB       SER   3   0.784   6.972   1.344
   19    HG   SER   3           HG       SER   3  -0.504   8.009   3.382
   20    H    CYS   4           H        CYS   4   1.011   5.093   0.438
   21    HA   CYS   4           HA       CYS   4   3.840   4.431   0.258
   22   1HB   CYS   4          2HB       CYS   4   2.680   2.251   0.973
   23   2HB   CYS   4          1HB       CYS   4   1.965   2.237  -0.627
   24    H    LEU   5           H        LEU   5   4.640   4.373  -1.816
   25    HA   LEU   5           HA       LEU   5   2.879   5.584  -3.875
   26   1HB   LEU   5          2HB       LEU   5   5.813   5.623  -3.280
   27   2HB   LEU   5          1HB       LEU   5   5.432   5.503  -4.981
   28    HG   LEU   5           HG       LEU   5   4.127   7.610  -3.191
   29   1HD1  LEU   5          2HD1      LEU   5   6.563   7.841  -5.036
   30   2HD1  LEU   5          1HD1      LEU   5   5.800   9.171  -4.185
   31   3HD1  LEU   5          3HD1      LEU   5   6.637   7.920  -3.275
   32   1HD2  LEU   5          2HD2      LEU   5   3.009   7.052  -5.423
   33   2HD2  LEU   5          1HD2      LEU   5   3.648   8.678  -5.380
   34   3HD2  LEU   5          3HD2      LEU   5   4.518   7.416  -6.226
   35    H    CYS   6           H        CYS   6   2.424   4.583  -5.763
   36    HA   CYS   6           HA       CYS   6   2.964   1.689  -5.819
   37   1HB   CYS   6          2HB       CYS   6   1.341   3.436  -7.707
   38   2HB   CYS   6          1HB       CYS   6   1.313   1.694  -7.642
   39    H    ASP   7           H        ASP   7   4.136   0.701  -7.522
   40    HA   ASP   7           HA       ASP   7   6.351   2.179  -8.505
   41   1HB   ASP   7          2HB       ASP   7   5.080  -0.431  -9.506
   42   2HB   ASP   7          1HB       ASP   7   6.614   0.181 -10.108
   43    H    SER   8           H        SER   8   3.303   1.707  -9.802
   44    HA   SER   8           HA       SER   8   3.868   2.871 -12.415
   45   1HB   SER   8          2HB       SER   8   1.212   2.232 -11.052
   46   2HB   SER   8          1HB       SER   8   1.363   2.757 -12.738
   47    HG   SER   8           HG       SER   8   2.271   0.899 -13.243
   48    H    ASP   9           H        ASP   9   3.657   4.463  -9.483
   49    HA   ASP   9           HA       ASP   9   2.137   6.766 -10.551
   50   1HB   ASP   9          2HB       ASP   9   3.493   6.281  -7.844
   51   2HB   ASP   9          1HB       ASP   9   2.697   7.774  -8.253
   52    H    GLY  10           H        GLY  10   4.558   6.049 -11.897
   53   1HA   GLY  10          2HA       GLY  10   6.332   7.280 -12.913
   54   2HA   GLY  10          1HA       GLY  10   5.789   8.667 -11.975
   55    HA   PRO  11           HA       PRO  11   9.848   7.292 -10.363
   56   1HB   PRO  11          2HB       PRO  11  11.120   9.677 -10.227
   57   2HB   PRO  11          1HB       PRO  11  10.800   8.914 -11.792
   58   1HG   PRO  11          2HG       PRO  11   9.102  11.023 -10.352
   59   2HG   PRO  11          1HG       PRO  11   9.721  11.096 -12.004
   60   1HD   PRO  11          2HD       PRO  11   7.184  10.199 -11.466
   61   2HD   PRO  11          1HD       PRO  11   8.123   9.485 -12.799
   62    H    SER  12           H        SER  12  11.092   7.717  -8.366
   63    HA   SER  12           HA       SER  12   9.250   8.287  -6.157
   64   1HB   SER  12          2HB       SER  12  11.422   7.270  -4.929
   65   2HB   SER  12          1HB       SER  12  10.432   6.197  -5.928
   66    HG   SER  12           HG       SER  12  12.968   6.879  -6.344
   67    H    VAL  13           H        VAL  13  10.735   9.180  -4.198
   68    HA   VAL  13           HA       VAL  13  11.549  11.097  -3.206
   69    HB   VAL  13           HB       VAL  13  13.145  11.372  -5.773
   70   1HG1  VAL  13          3HG1      VAL  13  13.933  12.095  -2.912
   71   2HG1  VAL  13          2HG1      VAL  13  15.010  12.208  -4.292
   72   3HG1  VAL  13          1HG1      VAL  13  13.598  13.230  -4.205
   73   1HG2  VAL  13          2HG2      VAL  13  13.795   9.496  -3.434
   74   2HG2  VAL  13          1HG2      VAL  13  13.344   9.007  -5.061
   75   3HG2  VAL  13          3HG2      VAL  13  14.871   9.811  -4.786
   76    H    ARG  14           H        ARG  14   9.313  11.296  -5.036
   77    HA   ARG  14           HA       ARG  14   8.809  14.100  -4.817
   78   1HB   ARG  14          2HB       ARG  14  10.472  13.522  -7.039
   79   2HB   ARG  14          1HB       ARG  14   8.904  13.484  -7.786
   80   1HG   ARG  14          2HG       ARG  14   8.543  15.849  -6.608
   81   2HG   ARG  14          1HG       ARG  14  10.247  15.745  -6.247
   82   1HD   ARG  14          2HD       ARG  14  10.101  17.001  -8.301
   83   2HD   ARG  14          1HD       ARG  14  10.709  15.409  -8.723
   84    HE   ARG  14           HE       ARG  14   8.155  14.901  -9.221
   85   1HH1  ARG  14          2HH1      ARG  14   7.375  17.628  -8.754
   86   2HH1  ARG  14          1HH1      ARG  14   7.401  18.385 -10.304
   87   1HH2  ARG  14          1HH2      ARG  14   9.411  15.732 -11.577
   88   2HH2  ARG  14          2HH2      ARG  14   8.671  17.214 -12.061
   89    H    GLY  15           H        GLY  15   7.218  14.502  -6.995
   90   1HA   GLY  15          2HA       GLY  15   5.072  14.040  -7.865
   91   2HA   GLY  15          1HA       GLY  15   5.129  12.471  -7.069
   92    H    ASN  16           H        ASN  16   5.555  13.090  -4.564
   93    HA   ASN  16           HA       ASN  16   4.608  13.726  -2.519
   94   1HB   ASN  16          2HB       ASN  16   4.496  16.124  -3.320
   95   2HB   ASN  16          1HB       ASN  16   3.028  15.706  -4.206
   96   1HD2  ASN  16          2HD2      ASN  16   1.340  16.831  -1.269
   97   2HD2  ASN  16          1HD2      ASN  16   1.665  17.198  -2.896
   98    H    THR  17           H        THR  17   2.491  13.371  -1.468
   99    HA   THR  17           HA       THR  17   0.430  12.227  -1.209
  100    HB   THR  17           HB       THR  17   0.146  12.451  -4.305
  101    HG1  THR  17           HG1      THR  17   0.641  14.279  -2.609
  102   1HG2  THR  17          1HG2      THR  17  -1.932  12.596  -2.048
  103   2HG2  THR  17          3HG2      THR  17  -2.232  12.645  -3.772
  104   3HG2  THR  17          2HG2      THR  17  -1.705  11.149  -3.030
  105    H    LEU  18           H        LEU  18  -0.595  10.019  -1.861
  106    HA   LEU  18           HA       LEU  18   1.394   8.113  -2.986
  107   1HB   LEU  18          2HB       LEU  18  -0.027   7.805  -0.328
  108   2HB   LEU  18          1HB       LEU  18   1.023   6.605  -1.010
  109    HG   LEU  18           HG       LEU  18   2.584   8.823  -1.065
  110   1HD1  LEU  18          1HD1      LEU  18   1.057   9.160   1.496
  111   2HD1  LEU  18          3HD1      LEU  18   2.568   9.972   1.130
  112   3HD1  LEU  18          2HD1      LEU  18   1.143  10.278   0.163
  113   1HD2  LEU  18          2HD2      LEU  18   3.606   6.839  -0.471
  114   2HD2  LEU  18          1HD2      LEU  18   3.993   8.063   0.703
  115   3HD2  LEU  18          3HD2      LEU  18   2.859   6.818   1.115
  116    H    SER  19           H        SER  19   0.384   6.595  -4.365
  117    HA   SER  19           HA       SER  19  -2.595   6.618  -4.369
  118   1HB   SER  19          2HB       SER  19  -1.213   6.626  -6.611
  119   2HB   SER  19          1HB       SER  19  -0.772   4.971  -6.214
  120    HG   SER  19           HG       SER  19  -3.172   6.035  -6.999
  121    H    GLY  20           H        GLY  20  -0.190   4.965  -2.767
  122   1HA   GLY  20          2HA       GLY  20  -1.906   2.669  -2.376
  123   2HA   GLY  20          1HA       GLY  20  -0.166   2.477  -2.481
  124    H    THR  21           H        THR  21  -0.788   1.416  -0.313
  125    HA   THR  21           HA       THR  21  -0.145   3.181   1.808
  126    HB   THR  21           HB       THR  21  -2.601   1.371   1.812
  127    HG1  THR  21           HG1      THR  21  -2.259   3.963   1.098
  128   1HG2  THR  21          3HG2      THR  21  -1.588   1.580   4.129
  129   2HG2  THR  21          2HG2      THR  21  -1.754   3.325   3.987
  130   3HG2  THR  21          1HG2      THR  21  -3.175   2.299   3.993
  131    H    LEU  22           H        LEU  22   0.560   2.045   3.407
  132    HA   LEU  22           HA       LEU  22   1.714  -0.598   2.717
  133   1HB   LEU  22          2HB       LEU  22   3.318   0.980   3.054
  134   2HB   LEU  22          1HB       LEU  22   2.651   1.627   4.535
  135    HG   LEU  22           HG       LEU  22   3.279  -1.237   4.883
  136   1HD1  LEU  22          3HD1      LEU  22   4.799  -0.897   2.916
  137   2HD1  LEU  22          2HD1      LEU  22   5.569   0.425   3.771
  138   3HD1  LEU  22          1HD1      LEU  22   5.708  -1.214   4.387
  139   1HD2  LEU  22          1HD2      LEU  22   3.282   0.502   6.678
  140   2HD2  LEU  22          3HD2      LEU  22   4.796  -0.390   6.627
  141   3HD2  LEU  22          2HD2      LEU  22   4.709   1.230   5.957
  142    H    TRP  23           H        TRP  23   1.425  -2.170   3.771
  143    HA   TRP  23           HA       TRP  23  -0.391  -2.293   6.113
  144   1HB   TRP  23          2HB       TRP  23   0.028  -4.088   3.678
  145   2HB   TRP  23          1HB       TRP  23  -0.783  -4.726   5.114
  146    HD1  TRP  23           HD1      TRP  23  -1.491  -2.362   2.102
  147    HE1  TRP  23           HE1      TRP  23  -3.784  -1.434   2.503
  148    HE3  TRP  23           HE3      TRP  23  -2.270  -4.024   6.788
  149    HZ2  TRP  23           HZ2      TRP  23  -5.799  -1.321   4.592
  150    HZ3  TRP  23           HZ3      TRP  23  -4.368  -3.450   7.983
  151    HH2  TRP  23           HH2      TRP  23  -6.118  -2.125   6.881
  152    H    LEU  24           H        LEU  24   0.377  -3.034   7.859
  153    HA   LEU  24           HA       LEU  24   3.166  -3.904   8.056
  154   1HB   LEU  24          2HB       LEU  24   1.329  -3.752  10.448
  155   2HB   LEU  24          1HB       LEU  24   3.028  -3.375  10.331
  156    HG   LEU  24           HG       LEU  24   0.805  -1.739   9.094
  157   1HD1  LEU  24          3HD1      LEU  24   0.824  -1.552  11.581
  158   2HD1  LEU  24          2HD1      LEU  24   2.536  -1.164  11.553
  159   3HD1  LEU  24          1HD1      LEU  24   1.370  -0.044  10.877
  160   1HD2  LEU  24          1HD2      LEU  24   3.786  -1.157   9.321
  161   2HD2  LEU  24          3HD2      LEU  24   2.932  -1.521   7.830
  162   3HD2  LEU  24          2HD2      LEU  24   2.592  -0.036   8.691
  163    H    TYR  25           H        TYR  25   0.199  -5.104   7.802
  164    HA   TYR  25           HA       TYR  25   0.108  -7.472   9.345
  165   1HB   TYR  25          2HB       TYR  25  -1.066  -6.823   6.607
  166   2HB   TYR  25          1HB       TYR  25  -1.564  -8.201   7.479
  167    HD1  TYR  25           HD1      TYR  25  -0.941  -5.574   9.893
  168    HD2  TYR  25           HD2      TYR  25  -3.811  -7.085   7.112
  169    HE1  TYR  25           HE1      TYR  25  -2.707  -4.397  11.063
  170    HE2  TYR  25           HE2      TYR  25  -5.577  -5.893   8.306
  171    HH   TYR  25           HH       TYR  25  -5.283  -4.722  11.345
  172    HA   PRO  26           HA       PRO  26   3.275  -9.706   8.019
  173   1HB   PRO  26          2HB       PRO  26   2.545 -12.366   8.204
  174   2HB   PRO  26          1HB       PRO  26   2.663 -11.324   9.623
  175   1HG   PRO  26          2HG       PRO  26   0.156 -11.943   7.948
  176   2HG   PRO  26          1HG       PRO  26   0.341 -12.083   9.697
  177   1HD   PRO  26          2HD       PRO  26  -0.763  -9.843   8.642
  178   2HD   PRO  26          1HD       PRO  26   0.369  -9.692  10.005
  179    H    SER  27           H        SER  27   0.644  -9.953   6.121
  180    HA   SER  27           HA       SER  27   2.270 -10.986   3.807
  181   1HB   SER  27          2HB       SER  27   0.132 -11.810   2.877
  182   2HB   SER  27          1HB       SER  27   0.514 -12.599   4.419
  183    HG   SER  27           HG       SER  27  -1.520 -10.832   3.859
  184    H    GLY  28           H        GLY  28   1.284  -8.270   5.002
  185   1HA   GLY  28          2HA       GLY  28   1.059  -6.164   4.052
  186   2HA   GLY  28          1HA       GLY  28   1.320  -6.935   2.496
  187    H    CYS  29           H        CYS  29  -0.098  -6.701   1.227
  188    HA   CYS  29           HA       CYS  29  -2.378  -5.348   1.334
  189   1HB   CYS  29          2HB       CYS  29  -1.106  -6.581  -0.655
  190   2HB   CYS  29          1HB       CYS  29  -2.451  -7.686  -0.496
  191    HA   PRO  30           HA       PRO  30  -5.007  -8.247   3.668
  192   1HB   PRO  30          2HB       PRO  30  -6.835  -6.414   4.520
  193   2HB   PRO  30          1HB       PRO  30  -5.268  -6.679   5.290
  194   1HG   PRO  30          2HG       PRO  30  -6.082  -4.392   3.510
  195   2HG   PRO  30          1HG       PRO  30  -4.912  -4.477   4.805
  196   1HD   PRO  30          2HD       PRO  30  -4.338  -4.642   2.021
  197   2HD   PRO  30          1HD       PRO  30  -3.201  -4.973   3.351
  198    H    SER  31           H        SER  31  -6.350  -9.394   2.691
  199    HA   SER  31           HA       SER  31  -7.349  -9.270   0.171
  200   1HB   SER  31          2HB       SER  31  -8.839 -10.636   2.513
  201   2HB   SER  31          1HB       SER  31  -8.659 -11.277   0.866
  202    HG   SER  31           HG       SER  31  -6.805 -12.077   1.555
  203    H    GLY  32           H        GLY  32  -8.193  -7.705  -0.551
  204   1HA   GLY  32          2HA       GLY  32 -10.660  -6.899  -0.978
  205   2HA   GLY  32          1HA       GLY  32 -10.408  -6.172   0.629
  206    H    TRP  33           H        TRP  33  -7.358  -6.337  -0.414
  207    HA   TRP  33           HA       TRP  33  -7.393  -3.651  -1.570
  208   1HB   TRP  33          2HB       TRP  33  -5.438  -5.385   0.069
  209   2HB   TRP  33          1HB       TRP  33  -4.803  -4.005  -0.779
  210    HD1  TRP  33           HD1      TRP  33  -7.849  -4.634   1.636
  211    HE1  TRP  33           HE1      TRP  33  -7.996  -2.475   2.943
  212    HE3  TRP  33           HE3      TRP  33  -4.088  -2.132  -0.416
  213    HZ2  TRP  33           HZ2      TRP  33  -6.652   0.141   3.131
  214    HZ3  TRP  33           HZ3      TRP  33  -3.459   0.154   0.274
  215    HH2  TRP  33           HH2      TRP  33  -4.737   1.299   2.031
  216    H    HIS  34           H        HIS  34  -4.742  -4.221  -2.680
  217    HA   HIS  34           HA       HIS  34  -5.198  -6.195  -4.723
  218   1HB   HIS  34          2HB       HIS  34  -6.435  -4.102  -5.438
  219   2HB   HIS  34          1HB       HIS  34  -4.931  -3.229  -5.461
  220    HD1  HIS  34           HD1      HIS  34  -6.304  -3.283  -8.011
  221    HD2  HIS  34           HD2      HIS  34  -3.833  -6.387  -7.065
  222    HE1  HIS  34           HE1      HIS  34  -5.667  -4.365 -10.158
  223    H    ASN  35           H        ASN  35  -3.126  -3.763  -5.681
  224    HA   ASN  35           HA       ASN  35  -0.728  -4.606  -4.299
  225   1HB   ASN  35          2HB       ASN  35   0.461  -5.585  -6.333
  226   2HB   ASN  35          1HB       ASN  35  -0.818  -6.583  -5.672
  227   1HD2  ASN  35          2HD2      ASN  35  -1.757  -4.838  -9.214
  228   2HD2  ASN  35          1HD2      ASN  35  -0.971  -3.846  -8.081
  229    H    CYS  36           H        CYS  36   0.947  -3.195  -4.564
  230    HA   CYS  36           HA       CYS  36   0.916  -1.280  -6.835
  231   1HB   CYS  36          2HB       CYS  36   0.076  -0.563  -4.104
  232   2HB   CYS  36          1HB       CYS  36   1.341   0.469  -4.686
  233    H    LYS  37           H        LYS  37   2.773  -2.895  -4.437
  234    HA   LYS  37           HA       LYS  37   5.191  -1.677  -5.527
  235   1HB   LYS  37          2HB       LYS  37   4.458  -2.361  -2.670
  236   2HB   LYS  37          1HB       LYS  37   6.119  -2.355  -3.074
  237   1HG   LYS  37          2HG       LYS  37   4.326   0.117  -3.131
  238   2HG   LYS  37          1HG       LYS  37   5.577  -0.261  -1.968
  239   1HD   LYS  37          2HD       LYS  37   6.593   1.296  -3.164
  240   2HD   LYS  37          1HD       LYS  37   7.291  -0.207  -3.749
  241   1HE   LYS  37          2HE       LYS  37   6.227  -0.121  -5.737
  242   2HE   LYS  37          1HE       LYS  37   4.898   0.878  -5.219
  243   1HZ   LYS  37          3HZ       LYS  37   7.436   2.223  -4.979
  244   2HZ   LYS  37          2HZ       LYS  37   7.172   1.600  -6.540
  245   3HZ   LYS  37          1HZ       LYS  37   6.020   2.651  -5.817
  246    H    ALA  38           H        ALA  38   5.805  -3.175  -6.794
  247    HA   ALA  38           HA       ALA  38   5.346  -6.028  -6.159
  248   1HB   ALA  38          1HB       ALA  38   5.013  -5.185  -8.524
  249   2HB   ALA  38          3HB       ALA  38   6.705  -4.715  -8.565
  250   3HB   ALA  38          2HB       ALA  38   6.278  -6.414  -8.467
  251    H    HIS  39           H        HIS  39   7.520  -3.867  -5.242
  252    HA   HIS  39           HA       HIS  39   9.654  -5.954  -5.046
  253   1HB   HIS  39          2HB       HIS  39  10.201  -3.015  -5.655
  254   2HB   HIS  39          1HB       HIS  39  11.360  -4.331  -5.650
  255    HD1  HIS  39           HD1      HIS  39   9.487  -6.302  -7.335
  256    HD2  HIS  39           HD2      HIS  39  10.343  -2.452  -8.388
  257    HE1  HIS  39           HE1      HIS  39   9.156  -6.146  -9.771
  258    H    GLY  40           H        GLY  40   9.116  -2.682  -3.676
  259   1HA   GLY  40          2HA       GLY  40  10.159  -3.786  -1.116
  260   2HA   GLY  40          1HA       GLY  40  10.289  -2.106  -1.600
  261    HA   PRO  41           HA       PRO  41  10.442  -1.177   0.217
  262   1HB   PRO  41          2HB       PRO  41   9.970  -0.384   2.748
  263   2HB   PRO  41          1HB       PRO  41   9.245   0.476   1.386
  264   1HG   PRO  41          2HG       PRO  41   7.972  -1.773   3.038
  265   2HG   PRO  41          1HG       PRO  41   7.350  -0.150   2.737
  266   1HD   PRO  41          2HD       PRO  41   6.596  -2.284   1.173
  267   2HD   PRO  41          1HD       PRO  41   6.832  -0.684   0.436
  268    H    THR  42           H        THR  42  11.825  -1.616   2.375
  269    HA   THR  42           HA       THR  42  12.072  -4.548   2.470
  270    HB   THR  42           HB       THR  42  14.140  -3.189   2.096
  271    HG1  THR  42           HG1      THR  42  13.770  -4.727   4.395
  272   1HG2  THR  42          2HG2      THR  42  13.468  -1.114   3.470
  273   2HG2  THR  42          1HG2      THR  42  13.665  -2.081   4.921
  274   3HG2  THR  42          3HG2      THR  42  15.043  -1.756   3.892
  275    H    ILE  43           H        ILE  43  10.161  -2.539   4.093
  276    HA   ILE  43           HA       ILE  43  10.070  -4.270   6.477
  277    HB   ILE  43           HB       ILE  43   9.740  -2.109   7.897
  278   1HG1  ILE  43          2HG1      ILE  43  11.110  -0.814   5.489
  279   2HG1  ILE  43          1HG1      ILE  43   9.445  -0.543   5.950
  280   1HG2  ILE  43          2HG2      ILE  43  11.771  -3.513   8.055
  281   2HG2  ILE  43          1HG2      ILE  43  12.501  -2.663   6.710
  282   3HG2  ILE  43          3HG2      ILE  43  12.210  -1.831   8.226
  283   1HD1  ILE  43          3HD1      ILE  43  10.195   0.405   8.132
  284   2HD1  ILE  43          2HD1      ILE  43  11.874   0.173   7.667
  285   3HD1  ILE  43          1HD1      ILE  43  10.862   1.291   6.775
  286    H    GLY  44           H        GLY  44   8.028  -4.905   6.718
  287   1HA   GLY  44          2HA       GLY  44   5.654  -4.848   6.722
  288   2HA   GLY  44          1HA       GLY  44   5.750  -3.107   6.373
  289    H    TRP  45           H        TRP  45   3.915  -3.863   4.764
  290    HA   TRP  45           HA       TRP  45   5.243  -4.590   2.184
  291   1HB   TRP  45          2HB       TRP  45   2.435  -5.235   2.952
  292   2HB   TRP  45          1HB       TRP  45   3.225  -5.751   1.486
  293    HD1  TRP  45           HD1      TRP  45   3.541  -6.463   5.369
  294    HE1  TRP  45           HE1      TRP  45   4.140  -8.913   5.475
  295    HE3  TRP  45           HE3      TRP  45   3.997  -7.533   0.469
  296    HZ2  TRP  45           HZ2      TRP  45   4.738 -11.122   3.779
  297    HZ3  TRP  45           HZ3      TRP  45   4.583  -9.816  -0.292
  298    HH2  TRP  45           HH2      TRP  45   4.965 -11.604   1.367
  299    H    CYS  46           H        CYS  46   4.217  -3.671   0.399
  300    HA   CYS  46           HA       CYS  46   2.518  -1.296   1.006
  301   1HB   CYS  46          2HB       CYS  46   4.969  -1.698  -0.518
  302   2HB   CYS  46          1HB       CYS  46   3.760  -0.713  -1.258
  303    H    CYS  47           H        CYS  47   0.694  -1.191  -0.035
  304    HA   CYS  47           HA       CYS  47   0.282  -2.378  -2.673
  305   1HB   CYS  47          2HB       CYS  47  -0.173  -4.103  -0.749
  306   2HB   CYS  47          1HB       CYS  47  -1.545  -3.111  -0.348
  307    H    LYS  48           H        LYS  48  -2.472  -2.110  -2.704
  308    HA   LYS  48           HA       LYS  48  -3.229   0.552  -1.704
  309   1HB   LYS  48          2HB       LYS  48  -3.748   1.507  -3.821
  310   2HB   LYS  48          1HB       LYS  48  -2.095   0.962  -3.998
  311   1HG   LYS  48          2HG       LYS  48  -2.652  -0.520  -5.699
  312   2HG   LYS  48          1HG       LYS  48  -4.043  -1.128  -4.860
  313   1HD   LYS  48          2HD       LYS  48  -4.978  -0.127  -6.737
  314   2HD   LYS  48          1HD       LYS  48  -5.278   1.039  -5.499
  315   1HE   LYS  48          2HE       LYS  48  -3.046   1.163  -7.598
  316   2HE   LYS  48          1HE       LYS  48  -4.514   2.126  -7.612
  317   1HZ   LYS  48          1HZ       LYS  48  -3.156   2.589  -5.163
  318   2HZ   LYS  48          3HZ       LYS  48  -2.058   2.761  -6.418
  319   3HZ   LYS  48          2HZ       LYS  48  -3.441   3.698  -6.357
  320    H    GLN  49           H        GLN  49  -5.755   0.757  -2.235
  321    HA   GLN  49           HA       GLN  49  -6.812  -1.817  -1.882
  322   1HB   GLN  49          2HB       GLN  49  -7.239   0.762  -0.829
  323   2HB   GLN  49          1HB       GLN  49  -8.476   0.697  -2.085
  324   1HG   GLN  49          2HG       GLN  49  -9.096  -1.394  -1.388
  325   2HG   GLN  49          1HG       GLN  49  -7.889  -1.421  -0.096
  326   1HE2  GLN  49          2HE2      GLN  49 -10.730  -0.502   1.884
  327   2HE2  GLN  49          1HE2      GLN  49  -9.915  -1.869   1.273
   
  No H/Q in entry =         327
  Start of MODEL          11
 Raw file had  333 H/Q atoms
  Start of MODEL   11
    1   1H    GLY   1          3H        GLY   1  -3.566   4.566   6.967
    2   2H    GLY   1          2H        GLY   1  -4.496   3.188   6.603
    3   3H    GLY   1          1H        GLY   1  -4.158   3.586   8.221
    4   1HA   GLY   1          2HA       GLY   1  -2.266   2.380   8.148
    5   2HA   GLY   1          1HA       GLY   1  -2.597   2.012   6.437
    6    H    VAL   2           H        VAL   2   0.040   2.440   6.684
    7    HA   VAL   2           HA       VAL   2   0.587   5.342   6.524
    8    HB   VAL   2           HB       VAL   2   2.330   4.390   7.710
    9   1HG1  VAL   2          3HG1      VAL   2   2.087   1.832   6.030
   10   2HG1  VAL   2          2HG1      VAL   2   3.281   2.048   7.302
   11   3HG1  VAL   2          1HG1      VAL   2   1.583   2.014   7.704
   12   1HG2  VAL   2          2HG2      VAL   2   3.475   5.401   5.814
   13   2HG2  VAL   2          1HG2      VAL   2   4.363   3.999   6.344
   14   3HG2  VAL   2          3HG2      VAL   2   3.382   3.915   4.897
   15    H    SER   3           H        SER   3   1.105   6.332   4.636
   16    HA   SER   3           HA       SER   3   0.109   5.170   2.211
   17   1HB   SER   3          2HB       SER   3   1.886   7.614   2.503
   18   2HB   SER   3          1HB       SER   3   0.748   7.385   1.207
   19    HG   SER   3           HG       SER   3  -0.688   8.246   2.560
   20    H    CYS   4           H        CYS   4   1.325   5.231   0.140
   21    HA   CYS   4           HA       CYS   4   4.210   4.719   0.312
   22   1HB   CYS   4          2HB       CYS   4   2.901   2.508   0.865
   23   2HB   CYS   4          1HB       CYS   4   2.473   2.501  -0.828
   24    H    LEU   5           H        LEU   5   5.128   5.310  -1.673
   25    HA   LEU   5           HA       LEU   5   3.186   6.133  -3.748
   26   1HB   LEU   5          2HB       LEU   5   5.997   6.902  -3.047
   27   2HB   LEU   5          1HB       LEU   5   5.716   6.734  -4.762
   28    HG   LEU   5           HG       LEU   5   3.892   8.358  -2.954
   29   1HD1  LEU   5          1HD1      LEU   5   6.118   9.252  -4.866
   30   2HD1  LEU   5          3HD1      LEU   5   5.061  10.346  -3.985
   31   3HD1  LEU   5          2HD1      LEU   5   6.232   9.364  -3.110
   32   1HD2  LEU   5          2HD2      LEU   5   4.140   8.282  -5.979
   33   2HD2  LEU   5          1HD2      LEU   5   2.812   7.627  -5.042
   34   3HD2  LEU   5          3HD2      LEU   5   3.084   9.346  -5.071
   35    H    CYS   6           H        CYS   6   2.699   4.798  -5.184
   36    HA   CYS   6           HA       CYS   6   4.319   2.369  -5.620
   37   1HB   CYS   6          2HB       CYS   6   1.763   3.104  -7.010
   38   2HB   CYS   6          1HB       CYS   6   2.410   1.517  -6.746
   39    H    ASP   7           H        ASP   7   5.023   1.732  -7.635
   40    HA   ASP   7           HA       ASP   7   6.364   3.701  -9.152
   41   1HB   ASP   7          2HB       ASP   7   5.726   0.755  -9.610
   42   2HB   ASP   7          1HB       ASP   7   6.819   1.710 -10.590
   43    H    SER   8           H        SER   8   3.212   2.895  -9.239
   44    HA   SER   8           HA       SER   8   2.673   3.640 -12.050
   45   1HB   SER   8          2HB       SER   8   0.262   3.038 -11.247
   46   2HB   SER   8          1HB       SER   8   1.433   1.700 -11.293
   47    HG   SER   8           HG       SER   8   0.663   3.290  -9.023
   48    H    ASP   9           H        ASP   9   2.990   5.108  -9.120
   49    HA   ASP   9           HA       ASP   9   0.913   7.154  -9.451
   50   1HB   ASP   9          2HB       ASP   9   3.090   6.898  -7.295
   51   2HB   ASP   9          1HB       ASP   9   1.683   7.935  -7.227
   52    H    GLY  10           H        GLY  10   1.429   9.414  -9.504
   53   1HA   GLY  10          2HA       GLY  10   4.011   9.990 -10.873
   54   2HA   GLY  10          1HA       GLY  10   2.499  10.794 -11.238
   55    HA   PRO  11           HA       PRO  11   4.322  12.659  -7.224
   56   1HB   PRO  11          2HB       PRO  11   6.950  13.381  -7.452
   57   2HB   PRO  11          1HB       PRO  11   6.477  11.754  -6.938
   58   1HG   PRO  11          2HG       PRO  11   7.205  12.697  -9.770
   59   2HG   PRO  11          1HG       PRO  11   7.862  11.312  -8.888
   60   1HD   PRO  11          2HD       PRO  11   5.818  10.997 -10.663
   61   2HD   PRO  11          1HD       PRO  11   5.862  10.008  -9.185
   62    H    SER  12           H        SER  12   4.792  14.946  -6.797
   63    HA   SER  12           HA       SER  12   4.607  16.716  -9.167
   64   1HB   SER  12          2HB       SER  12   2.877  18.043  -7.756
   65   2HB   SER  12          1HB       SER  12   2.305  16.438  -8.251
   66    HG   SER  12           HG       SER  12   3.026  17.343  -5.726
   67    H    VAL  13           H        VAL  13   4.995  19.075  -8.391
   68    HA   VAL  13           HA       VAL  13   7.467  19.041  -6.834
   69    HB   VAL  13           HB       VAL  13   7.333  21.515  -7.146
   70   1HG1  VAL  13          2HG1      VAL  13   7.185  19.754  -9.659
   71   2HG1  VAL  13          1HG1      VAL  13   7.879  21.366  -9.653
   72   3HG1  VAL  13          3HG1      VAL  13   8.628  20.086  -8.720
   73   1HG2  VAL  13          3HG2      VAL  13   4.855  21.801  -7.532
   74   2HG2  VAL  13          2HG2      VAL  13   5.750  22.423  -8.899
   75   3HG2  VAL  13          1HG2      VAL  13   4.960  20.870  -9.015
   76    H    ARG  14           H        ARG  14   6.668  18.260  -5.036
   77    HA   ARG  14           HA       ARG  14   6.206  18.243  -2.759
   78   1HB   ARG  14          2HB       ARG  14   5.399  21.169  -3.220
   79   2HB   ARG  14          1HB       ARG  14   5.662  20.425  -1.656
   80   1HG   ARG  14          2HG       ARG  14   8.019  20.189  -3.441
   81   2HG   ARG  14          1HG       ARG  14   7.584  21.849  -3.132
   82   1HD   ARG  14          2HD       ARG  14   8.038  19.764  -0.936
   83   2HD   ARG  14          1HD       ARG  14   9.236  20.941  -1.463
   84    HE   ARG  14           HE       ARG  14   6.581  21.875  -0.398
   85   1HH1  ARG  14          1HH2      ARG  14   7.803  24.169  -0.780
   86   2HH1  ARG  14          2HH2      ARG  14   8.892  24.479   0.510
   87   1HH2  ARG  14          2HH1      ARG  14   8.896  21.042   1.400
   88   2HH2  ARG  14          1HH1      ARG  14   9.577  22.560   1.851
   89    H    GLY  15           H        GLY  15   4.125  19.279  -1.335
   90   1HA   GLY  15          2HA       GLY  15   1.747  19.302  -1.168
   91   2HA   GLY  15          1HA       GLY  15   1.639  18.804  -2.851
   92    H    ASN  16           H        ASN  16   3.260  16.560  -2.736
   93    HA   ASN  16           HA       ASN  16   3.210  14.253  -2.288
   94   1HB   ASN  16          2HB       ASN  16   3.666  14.647   0.063
   95   2HB   ASN  16          1HB       ASN  16   2.011  15.186   0.354
   96   1HD2  ASN  16          2HD2      ASN  16   1.193  11.899   1.353
   97   2HD2  ASN  16          1HD2      ASN  16   1.128  13.554   1.715
   98    H    THR  17           H        THR  17   1.985  12.526  -2.440
   99    HA   THR  17           HA       THR  17  -0.860  12.273  -2.210
  100    HB   THR  17           HB       THR  17  -1.166  11.827  -4.821
  101    HG1  THR  17           HG1      THR  17   1.368  12.211  -4.660
  102   1HG2  THR  17          2HG2      THR  17  -1.982  14.085  -3.823
  103   2HG2  THR  17          1HG2      THR  17  -0.418  14.741  -4.276
  104   3HG2  THR  17          3HG2      THR  17  -1.487  14.125  -5.511
  105    H    LEU  18           H        LEU  18  -1.162   9.983  -2.167
  106    HA   LEU  18           HA       LEU  18   1.002   8.238  -3.231
  107   1HB   LEU  18          2HB       LEU  18  -0.184   7.904  -0.460
  108   2HB   LEU  18          1HB       LEU  18   1.017   6.863  -1.191
  109    HG   LEU  18           HG       LEU  18   2.137   9.320  -1.380
  110   1HD1  LEU  18          1HD1      LEU  18   0.790   9.394   1.326
  111   2HD1  LEU  18          3HD1      LEU  18   2.158  10.365   0.850
  112   3HD1  LEU  18          2HD1      LEU  18   0.637  10.483  -0.029
  113   1HD2  LEU  18          1HD2      LEU  18   2.887   7.286   0.698
  114   2HD2  LEU  18          3HD2      LEU  18   3.509   7.481  -0.919
  115   3HD2  LEU  18          2HD2      LEU  18   3.816   8.699   0.288
  116    H    SER  19           H        SER  19   0.026   6.696  -4.463
  117    HA   SER  19           HA       SER  19  -2.873   6.281  -4.103
  118   1HB   SER  19          2HB       SER  19  -1.032   4.652  -5.914
  119   2HB   SER  19          1HB       SER  19  -2.759   4.956  -6.135
  120    HG   SER  19           HG       SER  19  -0.806   6.309  -7.082
  121    H    GLY  20           H        GLY  20   0.172   4.816  -3.283
  122   1HA   GLY  20          2HA       GLY  20  -0.968   2.328  -2.510
  123   2HA   GLY  20          1HA       GLY  20   0.717   2.758  -2.486
  124    H    THR  21           H        THR  21  -0.334   1.380  -0.581
  125    HA   THR  21           HA       THR  21   0.181   2.992   1.729
  126    HB   THR  21           HB       THR  21  -2.213   1.192   1.601
  127    HG1  THR  21           HG1      THR  21  -1.843   3.822   0.784
  128   1HG2  THR  21          2HG2      THR  21  -1.406   1.731   3.937
  129   2HG2  THR  21          1HG2      THR  21  -1.621   3.438   3.560
  130   3HG2  THR  21          3HG2      THR  21  -3.009   2.370   3.598
  131    H    LEU  22           H        LEU  22   1.077   1.976   3.045
  132    HA   LEU  22           HA       LEU  22   2.102  -0.785   2.661
  133   1HB   LEU  22          2HB       LEU  22   3.897   0.628   3.000
  134   2HB   LEU  22          1HB       LEU  22   3.126   1.606   4.217
  135    HG   LEU  22           HG       LEU  22   3.419  -0.451   5.733
  136   1HD1  LEU  22          2HD1      LEU  22   5.113  -1.509   3.415
  137   2HD1  LEU  22          1HD1      LEU  22   5.065  -2.197   5.028
  138   3HD1  LEU  22          3HD1      LEU  22   3.636  -2.221   4.035
  139   1HD2  LEU  22          2HD2      LEU  22   5.947   0.707   4.505
  140   2HD2  LEU  22          1HD2      LEU  22   5.056   1.386   5.851
  141   3HD2  LEU  22          3HD2      LEU  22   5.892  -0.144   6.044
  142    H    TRP  23           H        TRP  23   1.787  -2.296   3.892
  143    HA   TRP  23           HA       TRP  23   0.003  -2.068   6.257
  144   1HB   TRP  23          2HB       TRP  23   0.172  -4.048   3.961
  145   2HB   TRP  23          1HB       TRP  23  -0.714  -4.435   5.454
  146    HD1  TRP  23           HD1      TRP  23  -0.952  -2.106   2.312
  147    HE1  TRP  23           HE1      TRP  23  -3.234  -1.051   2.466
  148    HE3  TRP  23           HE3      TRP  23  -2.373  -3.803   6.848
  149    HZ2  TRP  23           HZ2      TRP  23  -5.467  -0.866   4.296
  150    HZ3  TRP  23           HZ3      TRP  23  -4.585  -3.144   7.777
  151    HH2  TRP  23           HH2      TRP  23  -6.113  -1.712   6.512
  152    H    LEU  24           H        LEU  24   0.817  -2.817   8.019
  153    HA   LEU  24           HA       LEU  24   3.524  -3.941   8.123
  154   1HB   LEU  24          2HB       LEU  24   1.835  -3.447  10.572
  155   2HB   LEU  24          1HB       LEU  24   3.557  -3.229  10.362
  156    HG   LEU  24           HG       LEU  24   1.399  -1.543   9.103
  157   1HD1  LEU  24          2HD1      LEU  24   3.382  -0.916  11.345
  158   2HD1  LEU  24          1HD1      LEU  24   2.271   0.255  10.654
  159   3HD1  LEU  24          3HD1      LEU  24   1.649  -1.128  11.536
  160   1HD2  LEU  24          3HD2      LEU  24   3.453  -1.666   7.662
  161   2HD2  LEU  24          2HD2      LEU  24   3.287  -0.065   8.349
  162   3HD2  LEU  24          1HD2      LEU  24   4.440  -1.199   9.028
  163    H    TYR  25           H        TYR  25   0.502  -4.918   7.919
  164    HA   TYR  25           HA       TYR  25   0.246  -7.183   9.640
  165   1HB   TYR  25          2HB       TYR  25  -0.826  -6.658   6.822
  166   2HB   TYR  25          1HB       TYR  25  -1.449  -7.921   7.765
  167    HD1  TYR  25           HD2      TYR  25  -0.752  -5.053   9.923
  168    HD2  TYR  25           HD1      TYR  25  -3.608  -6.869   7.313
  169    HE1  TYR  25           HE2      TYR  25  -2.537  -3.727  10.924
  170    HE2  TYR  25           HE1      TYR  25  -5.371  -5.546   8.325
  171    HH   TYR  25           HH       TYR  25  -5.868  -4.288  10.221
  172    HA   PRO  26           HA       PRO  26   3.397  -9.637   8.335
  173   1HB   PRO  26          2HB       PRO  26   2.520 -12.272   8.365
  174   2HB   PRO  26          1HB       PRO  26   2.662 -11.315   9.841
  175   1HG   PRO  26          2HG       PRO  26   0.176 -11.720   8.092
  176   2HG   PRO  26          1HG       PRO  26   0.312 -11.944   9.838
  177   1HD   PRO  26          2HD       PRO  26  -0.661  -9.603   8.844
  178   2HD   PRO  26          1HD       PRO  26   0.431  -9.555  10.245
  179    H    SER  27           H        SER  27   0.715  -9.906   6.500
  180    HA   SER  27           HA       SER  27   2.242 -10.701   4.027
  181   1HB   SER  27          2HB       SER  27  -0.036 -11.429   3.173
  182   2HB   SER  27          1HB       SER  27   0.513 -12.378   4.567
  183    HG   SER  27           HG       SER  27  -1.508 -10.504   4.410
  184    H    GLY  28           H        GLY  28   1.339  -8.257   5.632
  185   1HA   GLY  28          2HA       GLY  28   0.696  -6.067   5.364
  186   2HA   GLY  28          1HA       GLY  28   1.491  -6.171   3.852
  187    H    CYS  29           H        CYS  29   0.456  -6.843   2.293
  188    HA   CYS  29           HA       CYS  29  -1.633  -5.602   1.244
  189   1HB   CYS  29          2HB       CYS  29   0.193  -7.419   0.403
  190   2HB   CYS  29          1HB       CYS  29  -1.244  -8.381   0.287
  191    HA   PRO  30           HA       PRO  30  -4.623  -7.951   3.716
  192   1HB   PRO  30          2HB       PRO  30  -6.253  -6.011   4.513
  193   2HB   PRO  30          1HB       PRO  30  -4.597  -6.136   5.120
  194   1HG   PRO  30          2HG       PRO  30  -5.661  -4.256   2.998
  195   2HG   PRO  30          1HG       PRO  30  -4.520  -3.990   4.281
  196   1HD   PRO  30          2HD       PRO  30  -3.874  -4.663   1.566
  197   2HD   PRO  30          1HD       PRO  30  -2.725  -4.680   2.927
  198    H    SER  31           H        SER  31  -6.061  -9.086   2.876
  199    HA   SER  31           HA       SER  31  -7.132  -9.173   0.397
  200   1HB   SER  31          2HB       SER  31  -8.635 -10.181   2.894
  201   2HB   SER  31          1HB       SER  31  -8.490 -11.003   1.328
  202    HG   SER  31           HG       SER  31  -6.741 -11.865   2.222
  203    H    GLY  32           H        GLY  32  -8.183  -7.847  -0.526
  204   1HA   GLY  32          2HA       GLY  32 -10.549  -6.870  -0.791
  205   2HA   GLY  32          1HA       GLY  32 -10.196  -6.088   0.768
  206    H    TRP  33           H        TRP  33  -7.251  -6.371  -0.509
  207    HA   TRP  33           HA       TRP  33  -7.287  -3.805  -1.851
  208   1HB   TRP  33          2HB       TRP  33  -5.233  -5.331  -0.102
  209   2HB   TRP  33          1HB       TRP  33  -4.686  -4.024  -1.102
  210    HD1  TRP  33           HD1      TRP  33  -7.697  -4.465   1.395
  211    HE1  TRP  33           HE1      TRP  33  -7.796  -2.243   2.586
  212    HE3  TRP  33           HE3      TRP  33  -3.815  -2.157  -0.738
  213    HZ2  TRP  33           HZ2      TRP  33  -6.349   0.323   2.686
  214    HZ3  TRP  33           HZ3      TRP  33  -3.134   0.121  -0.141
  215    HH2  TRP  33           HH2      TRP  33  -4.397   1.377   1.561
  216    H    HIS  34           H        HIS  34  -5.018  -4.018  -3.001
  217    HA   HIS  34           HA       HIS  34  -5.071  -6.318  -4.748
  218   1HB   HIS  34          2HB       HIS  34  -4.978  -3.335  -5.443
  219   2HB   HIS  34          1HB       HIS  34  -4.586  -4.558  -6.659
  220    HD1  HIS  34           HD1      HIS  34  -7.156  -6.162  -4.993
  221    HD2  HIS  34           HD2      HIS  34  -7.128  -2.870  -7.382
  222    HE1  HIS  34           HE1      HIS  34  -9.455  -5.928  -5.879
  223    H    ASN  35           H        ASN  35  -2.844  -4.200  -5.827
  224    HA   ASN  35           HA       ASN  35  -0.831  -4.479  -3.744
  225   1HB   ASN  35          2HB       ASN  35   0.692  -5.925  -5.117
  226   2HB   ASN  35          1HB       ASN  35  -0.773  -6.790  -4.704
  227   1HD2  ASN  35          2HD2      ASN  35  -1.940  -6.858  -8.073
  228   2HD2  ASN  35          1HD2      ASN  35  -2.406  -7.029  -6.440
  229    H    CYS  36           H        CYS  36   1.142  -3.282  -4.491
  230    HA   CYS  36           HA       CYS  36   0.889  -1.834  -7.085
  231   1HB   CYS  36          2HB       CYS  36   0.493   0.237  -6.281
  232   2HB   CYS  36          1HB       CYS  36  -0.389  -0.638  -5.073
  233    H    LYS  37           H        LYS  37   2.743  -1.955  -4.003
  234    HA   LYS  37           HA       LYS  37   5.108  -1.271  -5.565
  235   1HB   LYS  37          2HB       LYS  37   4.561  -1.669  -2.692
  236   2HB   LYS  37          1HB       LYS  37   6.192  -1.588  -3.221
  237   1HG   LYS  37          2HG       LYS  37   4.156   0.556  -3.829
  238   2HG   LYS  37          1HG       LYS  37   5.311   0.593  -2.504
  239   1HD   LYS  37          2HD       LYS  37   6.899  -0.122  -4.759
  240   2HD   LYS  37          1HD       LYS  37   5.764   1.045  -5.387
  241   1HE   LYS  37          2HE       LYS  37   6.415   2.391  -3.206
  242   2HE   LYS  37          1HE       LYS  37   7.768   1.277  -3.183
  243   1HZ   LYS  37          1HZ       LYS  37   7.578   2.140  -5.824
  244   2HZ   LYS  37          3HZ       LYS  37   7.299   3.507  -4.863
  245   3HZ   LYS  37          2HZ       LYS  37   8.771   2.597  -4.696
  246    H    ALA  38           H        ALA  38   5.015  -3.164  -6.800
  247    HA   ALA  38           HA       ALA  38   5.567  -5.783  -5.818
  248   1HB   ALA  38          2HB       ALA  38   6.453  -4.481  -8.410
  249   2HB   ALA  38          1HB       ALA  38   6.433  -6.217  -8.139
  250   3HB   ALA  38          3HB       ALA  38   4.914  -5.320  -8.202
  251    H    HIS  39           H        HIS  39   7.430  -3.176  -5.525
  252    HA   HIS  39           HA       HIS  39  10.021  -4.641  -5.550
  253   1HB   HIS  39          2HB       HIS  39   9.438  -1.668  -5.488
  254   2HB   HIS  39          1HB       HIS  39  11.037  -2.397  -5.495
  255    HD1  HIS  39           HD1      HIS  39  10.973  -4.344  -7.703
  256    HD2  HIS  39           HD2      HIS  39   8.762  -0.924  -8.029
  257    HE1  HIS  39           HE1      HIS  39  10.519  -4.033 -10.106
  258    H    GLY  40           H        GLY  40   7.869  -3.196  -3.224
  259   1HA   GLY  40          2HA       GLY  40   8.608  -4.289  -0.963
  260   2HA   GLY  40          1HA       GLY  40  10.019  -3.248  -1.193
  261    HA   PRO  41           HA       PRO  41  10.599  -1.980   0.666
  262   1HB   PRO  41          2HB       PRO  41  10.221  -1.519   3.307
  263   2HB   PRO  41          1HB       PRO  41  10.088  -0.212   2.135
  264   1HG   PRO  41          2HG       PRO  41   7.814  -1.955   3.247
  265   2HG   PRO  41          1HG       PRO  41   7.939  -0.193   3.290
  266   1HD   PRO  41          2HD       PRO  41   6.569  -1.427   1.253
  267   2HD   PRO  41          1HD       PRO  41   7.551   0.000   0.900
  268    H    THR  42           H        THR  42  11.410  -3.216   2.840
  269    HA   THR  42           HA       THR  42  10.498  -6.008   2.384
  270    HB   THR  42           HB       THR  42  12.947  -5.654   2.173
  271    HG1  THR  42           HG1      THR  42  11.829  -7.155   4.211
  272   1HG2  THR  42          3HG2      THR  42  13.184  -3.624   3.747
  273   2HG2  THR  42          2HG2      THR  42  12.897  -4.713   5.097
  274   3HG2  THR  42          1HG2      THR  42  14.312  -4.914   4.087
  275    H    ILE  43           H        ILE  43   9.897  -3.514   4.467
  276    HA   ILE  43           HA       ILE  43   9.262  -5.331   6.768
  277    HB   ILE  43           HB       ILE  43   8.971  -3.081   8.033
  278   1HG1  ILE  43          2HG1      ILE  43  10.621  -1.897   5.756
  279   2HG1  ILE  43          1HG1      ILE  43   8.897  -1.627   5.900
  280   1HG2  ILE  43          1HG2      ILE  43  10.926  -4.564   8.331
  281   2HG2  ILE  43          3HG2      ILE  43  11.725  -3.827   6.951
  282   3HG2  ILE  43          2HG2      ILE  43  11.442  -2.895   8.412
  283   1HD1  ILE  43          3HD1      ILE  43   9.218  -0.630   8.146
  284   2HD1  ILE  43          2HD1      ILE  43  10.956  -0.852   8.021
  285   3HD1  ILE  43          1HD1      ILE  43  10.128   0.236   6.925
  286    H    GLY  44           H        GLY  44   7.311  -6.134   6.180
  287   1HA   GLY  44          2HA       GLY  44   4.922  -6.026   6.206
  288   2HA   GLY  44          1HA       GLY  44   5.030  -4.257   6.055
  289    H    TRP  45           H        TRP  45   3.506  -4.509   4.233
  290    HA   TRP  45           HA       TRP  45   4.960  -5.042   1.684
  291   1HB   TRP  45          2HB       TRP  45   2.088  -5.993   2.048
  292   2HB   TRP  45          1HB       TRP  45   3.154  -6.313   0.734
  293    HD1  TRP  45           HD1      TRP  45   3.636  -7.202   4.630
  294    HE1  TRP  45           HE1      TRP  45   4.264  -9.634   4.615
  295    HE3  TRP  45           HE3      TRP  45   3.423  -8.149  -0.314
  296    HZ2  TRP  45           HZ2      TRP  45   4.647 -11.802   2.787
  297    HZ3  TRP  45           HZ3      TRP  45   3.919 -10.398  -1.190
  298    HH2  TRP  45           HH2      TRP  45   4.532 -12.222   0.348
  299    H    CYS  46           H        CYS  46   4.307  -3.592   0.050
  300    HA   CYS  46           HA       CYS  46   2.401  -1.432   0.864
  301   1HB   CYS  46          2HB       CYS  46   4.904  -1.549  -0.725
  302   2HB   CYS  46          1HB       CYS  46   3.697  -0.437  -1.286
  303    H    CYS  47           H        CYS  47   0.461  -1.596  -0.022
  304    HA   CYS  47           HA       CYS  47   0.189  -2.470  -2.842
  305   1HB   CYS  47          2HB       CYS  47  -1.393  -3.430  -0.399
  306   2HB   CYS  47          1HB       CYS  47  -1.898  -3.768  -2.021
  307    H    LYS  48           H        LYS  48  -2.448  -2.161  -3.190
  308    HA   LYS  48           HA       LYS  48  -3.235   0.550  -2.275
  309   1HB   LYS  48          2HB       LYS  48  -3.814   1.168  -4.643
  310   2HB   LYS  48          1HB       LYS  48  -2.117   0.783  -4.600
  311   1HG   LYS  48          2HG       LYS  48  -2.656  -1.558  -5.385
  312   2HG   LYS  48          1HG       LYS  48  -4.352  -1.128  -5.435
  313   1HD   LYS  48          2HD       LYS  48  -3.884   0.629  -7.110
  314   2HD   LYS  48          1HD       LYS  48  -2.177   0.163  -7.135
  315   1HE   LYS  48          2HE       LYS  48  -2.962  -2.210  -7.742
  316   2HE   LYS  48          1HE       LYS  48  -4.592  -1.574  -7.886
  317   1HZ   LYS  48          1HZ       LYS  48  -2.855   0.041  -9.414
  318   2HZ   LYS  48          3HZ       LYS  48  -2.537  -1.561  -9.792
  319   3HZ   LYS  48          2HZ       LYS  48  -4.125  -0.949  -9.963
  320    H    GLN  49           H        GLN  49  -5.782   0.538  -2.623
  321    HA   GLN  49           HA       GLN  49  -6.547  -2.024  -1.904
  322   1HB   GLN  49          2HB       GLN  49  -7.569   0.558  -1.502
  323   2HB   GLN  49          1HB       GLN  49  -8.664  -0.061  -2.754
  324   1HG   GLN  49          2HG       GLN  49  -8.517  -2.223  -1.472
  325   2HG   GLN  49          1HG       GLN  49  -7.883  -1.239  -0.168
  326   1HE2  GLN  49          2HE2      GLN  49 -11.613  -1.802   0.050
  327   2HE2  GLN  49          1HE2      GLN  49 -10.379  -2.883  -0.427
   
  No H/Q in entry =         327
  Start of MODEL          12
 Raw file had  333 H/Q atoms
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1  -3.690   4.228   7.921
    2   2H    GLY   1          3H        GLY   1  -4.692   2.936   7.484
    3   3H    GLY   1          2H        GLY   1  -4.054   3.028   9.062
    4   1HA   GLY   1          2HA       GLY   1  -2.229   1.900   8.426
    5   2HA   GLY   1          1HA       GLY   1  -2.884   1.836   6.767
    6    H    VAL   2           H        VAL   2  -0.122   2.299   6.877
    7    HA   VAL   2           HA       VAL   2   0.228   5.250   6.905
    8    HB   VAL   2           HB       VAL   2   2.233   3.133   6.084
    9   1HG1  VAL   2          1HG1      VAL   2   2.681   5.964   7.107
   10   2HG1  VAL   2          3HG1      VAL   2   3.942   4.800   6.741
   11   3HG1  VAL   2          2HG1      VAL   2   2.913   5.392   5.459
   12   1HG2  VAL   2          1HG2      VAL   2   1.771   4.286   8.880
   13   2HG2  VAL   2          3HG2      VAL   2   1.455   2.622   8.419
   14   3HG2  VAL   2          2HG2      VAL   2   3.097   3.223   8.449
   15    H    SER   3           H        SER   3   0.571   6.406   4.974
   16    HA   SER   3           HA       SER   3  -0.505   5.140   2.580
   17   1HB   SER   3          2HB       SER   3   0.847   7.845   2.674
   18   2HB   SER   3          1HB       SER   3  -0.427   7.309   1.583
   19    HG   SER   3           HG       SER   3  -1.661   8.215   3.086
   20    H    CYS   4           H        CYS   4   0.677   5.158   0.593
   21    HA   CYS   4           HA       CYS   4   3.596   5.377   0.568
   22   1HB   CYS   4          2HB       CYS   4   3.297   3.073   1.526
   23   2HB   CYS   4          1HB       CYS   4   2.269   2.641   0.175
   24    H    LEU   5           H        LEU   5   4.305   5.386  -1.741
   25    HA   LEU   5           HA       LEU   5   2.117   6.035  -3.545
   26   1HB   LEU   5          2HB       LEU   5   3.866   6.784  -4.938
   27   2HB   LEU   5          1HB       LEU   5   4.134   7.385  -3.350
   28    HG   LEU   5           HG       LEU   5   5.623   5.135  -3.149
   29   1HD1  LEU   5          2HD1      LEU   5   5.754   5.769  -6.113
   30   2HD1  LEU   5          1HD1      LEU   5   6.822   4.671  -5.256
   31   3HD1  LEU   5          3HD1      LEU   5   5.123   4.292  -5.425
   32   1HD2  LEU   5          3HD2      LEU   5   6.443   7.683  -4.599
   33   2HD2  LEU   5          2HD2      LEU   5   6.371   7.468  -2.857
   34   3HD2  LEU   5          1HD2      LEU   5   7.564   6.580  -3.797
   35    H    CYS   6           H        CYS   6   2.110   5.070  -5.692
   36    HA   CYS   6           HA       CYS   6   2.577   2.109  -5.583
   37   1HB   CYS   6          2HB       CYS   6   0.677   3.816  -7.196
   38   2HB   CYS   6          1HB       CYS   6   1.058   2.189  -7.686
   39    H    ASP   7           H        ASP   7   3.443   1.203  -7.765
   40    HA   ASP   7           HA       ASP   7   5.828   2.516  -8.468
   41   1HB   ASP   7          2HB       ASP   7   5.824   0.992 -10.475
   42   2HB   ASP   7          1HB       ASP   7   5.407   0.147  -8.993
   43    H    SER   8           H        SER   8   2.772   3.047  -9.659
   44    HA   SER   8           HA       SER   8   3.332   4.498 -12.075
   45   1HB   SER   8          2HB       SER   8   0.858   4.801 -10.315
   46   2HB   SER   8          1HB       SER   8   0.957   4.952 -12.071
   47    HG   SER   8           HG       SER   8   2.035   2.573 -11.450
   48    H    ASP   9           H        ASP   9   3.712   5.447  -8.848
   49    HA   ASP   9           HA       ASP   9   3.352   8.339  -9.328
   50   1HB   ASP   9          2HB       ASP   9   4.000   6.568  -6.972
   51   2HB   ASP   9          1HB       ASP   9   4.231   8.293  -6.823
   52    H    GLY  10           H        GLY  10   4.937   7.652 -11.045
   53   1HA   GLY  10          2HA       GLY  10   7.774   7.572 -10.402
   54   2HA   GLY  10          1HA       GLY  10   7.106   7.771 -12.015
   55    HA   PRO  11           HA       PRO  11   7.746  12.214 -11.303
   56   1HB   PRO  11          2HB       PRO  11   5.535  13.511 -12.200
   57   2HB   PRO  11          1HB       PRO  11   6.554  12.593 -13.318
   58   1HG   PRO  11          2HG       PRO  11   3.982  11.680 -11.911
   59   2HG   PRO  11          1HG       PRO  11   4.368  11.555 -13.626
   60   1HD   PRO  11          2HD       PRO  11   4.750   9.474 -11.869
   61   2HD   PRO  11          1HD       PRO  11   5.803   9.672 -13.285
   62    H    SER  12           H        SER  12   6.711  14.261 -10.123
   63    HA   SER  12           HA       SER  12   4.895  13.496  -7.947
   64   1HB   SER  12          2HB       SER  12   6.524  14.218  -6.158
   65   2HB   SER  12          1HB       SER  12   7.214  12.891  -7.093
   66    HG   SER  12           HG       SER  12   7.604  15.437  -8.185
   67    H    VAL  13           H        VAL  13   3.785  15.238  -7.079
   68    HA   VAL  13           HA       VAL  13   4.576  17.922  -8.047
   69    HB   VAL  13           HB       VAL  13   2.047  18.302  -8.335
   70   1HG1  VAL  13          3HG1      VAL  13   3.566  17.930 -10.316
   71   2HG1  VAL  13          2HG1      VAL  13   3.354  16.198 -10.144
   72   3HG1  VAL  13          1HG1      VAL  13   1.994  17.211 -10.603
   73   1HG2  VAL  13          3HG2      VAL  13   1.244  16.336  -7.040
   74   2HG2  VAL  13          2HG2      VAL  13   0.613  16.317  -8.673
   75   3HG2  VAL  13          1HG2      VAL  13   1.938  15.261  -8.239
   76    H    ARG  14           H        ARG  14   3.352  19.608  -6.805
   77    HA   ARG  14           HA       ARG  14   3.956  19.653  -4.119
   78   1HB   ARG  14          2HB       ARG  14   1.573  20.919  -5.504
   79   2HB   ARG  14          1HB       ARG  14   2.135  21.402  -3.917
   80   1HG   ARG  14          2HG       ARG  14   4.220  22.230  -4.735
   81   2HG   ARG  14          1HG       ARG  14   4.075  21.437  -6.285
   82   1HD   ARG  14          2HD       ARG  14   2.270  23.691  -5.270
   83   2HD   ARG  14          1HD       ARG  14   3.562  23.885  -6.451
   84    HE   ARG  14           HE       ARG  14   2.098  21.932  -7.654
   85   1HH1  ARG  14          2HH1      ARG  14  -0.279  22.297  -6.271
   86   2HH1  ARG  14          1HH1      ARG  14  -1.132  23.582  -7.035
   87   1HH2  ARG  14          1HH2      ARG  14   1.892  24.690  -8.578
   88   2HH2  ARG  14          2HH2      ARG  14   0.218  25.072  -8.457
   89    H    GLY  15           H        GLY  15   3.310  18.628  -2.368
   90   1HA   GLY  15          2HA       GLY  15   1.531  17.884  -0.832
   91   2HA   GLY  15          1HA       GLY  15   0.593  17.358  -2.251
   92    H    ASN  16           H        ASN  16   2.820  16.549  -3.633
   93    HA   ASN  16           HA       ASN  16   4.439  14.967  -4.052
   94   1HB   ASN  16          2HB       ASN  16   5.035  14.860  -1.620
   95   2HB   ASN  16          1HB       ASN  16   3.659  13.777  -1.407
   96   1HD2  ASN  16          2HD2      ASN  16   5.850  11.114  -2.045
   97   2HD2  ASN  16          1HD2      ASN  16   4.708  11.795  -0.983
   98    H    THR  17           H        THR  17   4.402  12.740  -4.808
   99    HA   THR  17           HA       THR  17   1.664  11.925  -5.447
  100    HB   THR  17           HB       THR  17   3.348  10.241  -6.881
  101    HG1  THR  17           HG1      THR  17   5.141  11.322  -7.336
  102   1HG2  THR  17          2HG2      THR  17   2.670  13.141  -7.639
  103   2HG2  THR  17          1HG2      THR  17   3.107  11.848  -8.754
  104   3HG2  THR  17          3HG2      THR  17   1.596  11.766  -7.874
  105    H    LEU  18           H        LEU  18   0.930  10.940  -3.674
  106    HA   LEU  18           HA       LEU  18   1.820   8.168  -3.307
  107   1HB   LEU  18          2HB       LEU  18   2.231   8.291  -0.985
  108   2HB   LEU  18          1HB       LEU  18   3.157   9.585  -1.689
  109    HG   LEU  18           HG       LEU  18   0.519   9.849  -0.217
  110   1HD1  LEU  18          2HD1      LEU  18   2.470   9.293   1.188
  111   2HD1  LEU  18          1HD1      LEU  18   3.378  10.627   0.503
  112   3HD1  LEU  18          3HD1      LEU  18   1.961  10.942   1.498
  113   1HD2  LEU  18          2HD2      LEU  18   2.328  12.052  -1.337
  114   2HD2  LEU  18          1HD2      LEU  18   0.727  11.664  -1.925
  115   3HD2  LEU  18          3HD2      LEU  18   0.923  12.328  -0.325
  116    H    SER  19           H        SER  19  -0.018   7.064  -3.493
  117    HA   SER  19           HA       SER  19  -2.461   8.035  -2.093
  118   1HB   SER  19          2HB       SER  19  -2.353   7.319  -5.072
  119   2HB   SER  19          1HB       SER  19  -3.837   7.630  -4.156
  120    HG   SER  19           HG       SER  19  -1.980   9.573  -3.672
  121    H    GLY  20           H        GLY  20  -0.381   5.670  -2.146
  122   1HA   GLY  20          2HA       GLY  20  -2.291   3.509  -2.200
  123   2HA   GLY  20          1HA       GLY  20  -0.542   3.317  -2.329
  124    H    THR  21           H        THR  21  -1.062   1.766  -0.325
  125    HA   THR  21           HA       THR  21  -0.456   3.258   2.027
  126    HB   THR  21           HB       THR  21  -2.743   1.224   1.983
  127    HG1  THR  21           HG1      THR  21  -2.712   3.873   1.311
  128   1HG2  THR  21          1HG2      THR  21  -1.685   1.665   4.266
  129   2HG2  THR  21          3HG2      THR  21  -2.122   3.358   4.068
  130   3HG2  THR  21          2HG2      THR  21  -3.372   2.133   4.161
  131    H    LEU  22           H        LEU  22   0.451   1.967   3.393
  132    HA   LEU  22           HA       LEU  22   1.445  -0.629   2.349
  133   1HB   LEU  22          2HB       LEU  22   3.241   0.799   2.447
  134   2HB   LEU  22          1HB       LEU  22   2.757   1.616   3.919
  135    HG   LEU  22           HG       LEU  22   3.530  -1.331   4.130
  136   1HD1  LEU  22          3HD1      LEU  22   5.550   0.944   3.793
  137   2HD1  LEU  22          2HD1      LEU  22   5.940  -0.721   4.189
  138   3HD1  LEU  22          1HD1      LEU  22   5.277  -0.328   2.617
  139   1HD2  LEU  22          3HD2      LEU  22   4.166   1.168   5.769
  140   2HD2  LEU  22          2HD2      LEU  22   2.847   0.062   6.114
  141   3HD2  LEU  22          1HD2      LEU  22   4.521  -0.479   6.222
  142    H    TRP  23           H        TRP  23   1.489  -2.292   3.540
  143    HA   TRP  23           HA       TRP  23  -0.064  -2.298   6.071
  144   1HB   TRP  23          2HB       TRP  23   0.043  -4.232   3.708
  145   2HB   TRP  23          1HB       TRP  23  -0.648  -4.729   5.246
  146    HD1  TRP  23           HD1      TRP  23  -1.383  -2.294   2.232
  147    HE1  TRP  23           HE1      TRP  23  -3.700  -1.433   2.642
  148    HE3  TRP  23           HE3      TRP  23  -2.300  -4.205   6.853
  149    HZ2  TRP  23           HZ2      TRP  23  -5.749  -1.439   4.578
  150    HZ3  TRP  23           HZ3      TRP  23  -4.479  -3.681   7.956
  151    HH2  TRP  23           HH2      TRP  23  -6.181  -2.347   6.835
  152    H    LEU  24           H        LEU  24   0.861  -3.063   7.735
  153    HA   LEU  24           HA       LEU  24   3.652  -3.981   7.712
  154   1HB   LEU  24          2HB       LEU  24   1.944  -3.732  10.215
  155   2HB   LEU  24          1HB       LEU  24   3.656  -3.443  10.024
  156    HG   LEU  24           HG       LEU  24   1.475  -1.719   8.826
  157   1HD1  LEU  24          2HD1      LEU  24   3.278  -1.221  11.247
  158   2HD1  LEU  24          1HD1      LEU  24   2.173  -0.041  10.566
  159   3HD1  LEU  24          3HD1      LEU  24   1.544  -1.508  11.292
  160   1HD2  LEU  24          2HD2      LEU  24   3.611  -1.696   7.557
  161   2HD2  LEU  24          1HD2      LEU  24   3.362  -0.142   8.344
  162   3HD2  LEU  24          3HD2      LEU  24   4.508  -1.295   9.008
  163    H    TYR  25           H        TYR  25   0.667  -5.112   7.631
  164    HA   TYR  25           HA       TYR  25   0.630  -7.487   9.186
  165   1HB   TYR  25          2HB       TYR  25  -0.640  -6.932   6.456
  166   2HB   TYR  25          1HB       TYR  25  -1.073  -8.285   7.397
  167    HD1  TYR  25           HD2      TYR  25  -0.548  -5.489   9.657
  168    HD2  TYR  25           HD1      TYR  25  -3.334  -7.376   7.037
  169    HE1  TYR  25           HE2      TYR  25  -2.398  -4.383  10.800
  170    HE2  TYR  25           HE1      TYR  25  -5.169  -6.277   8.183
  171    HH   TYR  25           HH       TYR  25  -5.710  -5.141  10.163
  172    HA   PRO  26           HA       PRO  26   3.859  -9.599   7.627
  173   1HB   PRO  26          2HB       PRO  26   3.306 -12.259   8.055
  174   2HB   PRO  26          1HB       PRO  26   3.490 -11.127   9.397
  175   1HG   PRO  26          2HG       PRO  26   0.890 -12.002   8.012
  176   2HG   PRO  26          1HG       PRO  26   1.239 -11.999   9.741
  177   1HD   PRO  26          2HD       PRO  26  -0.099  -9.907   8.615
  178   2HD   PRO  26          1HD       PRO  26   1.104  -9.602   9.889
  179    H    SER  27           H        SER  27   1.042 -10.091   6.068
  180    HA   SER  27           HA       SER  27   2.397 -11.338   3.688
  181   1HB   SER  27          2HB       SER  27   0.078 -11.924   2.981
  182   2HB   SER  27          1HB       SER  27   0.538 -12.728   4.493
  183    HG   SER  27           HG       SER  27  -1.362 -10.771   4.097
  184    H    GLY  28           H        GLY  28   1.687  -8.473   4.834
  185   1HA   GLY  28          2HA       GLY  28   1.647  -6.399   3.776
  186   2HA   GLY  28          1HA       GLY  28   1.698  -7.259   2.250
  187    H    CYS  29           H        CYS  29   0.230  -6.919   1.076
  188    HA   CYS  29           HA       CYS  29  -1.956  -5.423   1.493
  189   1HB   CYS  29          2HB       CYS  29  -0.862  -6.407  -0.730
  190   2HB   CYS  29          1HB       CYS  29  -2.256  -7.452  -0.644
  191    HA   PRO  30           HA       PRO  30  -4.631  -8.433   3.489
  192   1HB   PRO  30          2HB       PRO  30  -6.622  -6.716   4.242
  193   2HB   PRO  30          1HB       PRO  30  -5.062  -6.836   5.060
  194   1HG   PRO  30          2HG       PRO  30  -5.950  -4.706   3.081
  195   2HG   PRO  30          1HG       PRO  30  -4.959  -4.585   4.517
  196   1HD   PRO  30          2HD       PRO  30  -4.040  -4.795   1.885
  197   2HD   PRO  30          1HD       PRO  30  -3.057  -5.098   3.351
  198    H    SER  31           H        SER  31  -6.742  -9.130   3.288
  199    HA   SER  31           HA       SER  31  -7.506  -9.452   0.602
  200   1HB   SER  31          2HB       SER  31  -9.306 -11.059   2.044
  201   2HB   SER  31          1HB       SER  31  -7.617 -11.563   1.865
  202    HG   SER  31           HG       SER  31  -8.919 -10.489   4.039
  203    H    GLY  32           H        GLY  32  -8.025  -7.673   0.180
  204   1HA   GLY  32          2HA       GLY  32 -10.547  -6.904  -0.542
  205   2HA   GLY  32          1HA       GLY  32 -10.341  -6.119   1.034
  206    H    TRP  33           H        TRP  33  -7.272  -6.633  -0.510
  207    HA   TRP  33           HA       TRP  33  -7.293  -3.978  -1.691
  208   1HB   TRP  33          2HB       TRP  33  -5.381  -5.388   0.280
  209   2HB   TRP  33          1HB       TRP  33  -4.841  -4.046  -0.699
  210    HD1  TRP  33           HD1      TRP  33  -8.056  -4.530   1.605
  211    HE1  TRP  33           HE1      TRP  33  -8.260  -2.323   2.768
  212    HE3  TRP  33           HE3      TRP  33  -4.055  -2.221  -0.287
  213    HZ2  TRP  33           HZ2      TRP  33  -6.833   0.262   2.954
  214    HZ3  TRP  33           HZ3      TRP  33  -3.458   0.046   0.318
  215    HH2  TRP  33           HH2      TRP  33  -4.811   1.312   1.933
  216    H    HIS  34           H        HIS  34  -4.819  -4.224  -2.761
  217    HA   HIS  34           HA       HIS  34  -4.888  -6.637  -4.359
  218   1HB   HIS  34          2HB       HIS  34  -4.852  -3.796  -5.419
  219   2HB   HIS  34          1HB       HIS  34  -4.587  -5.193  -6.462
  220    HD1  HIS  34           HD1      HIS  34  -7.091  -6.586  -4.618
  221    HD2  HIS  34           HD2      HIS  34  -7.151  -3.314  -7.056
  222    HE1  HIS  34           HE1      HIS  34  -9.435  -6.267  -5.314
  223    H    ASN  35           H        ASN  35  -2.918  -4.298  -5.633
  224    HA   ASN  35           HA       ASN  35  -0.504  -4.597  -4.219
  225   1HB   ASN  35          2HB       ASN  35   0.655  -6.134  -6.024
  226   2HB   ASN  35          1HB       ASN  35  -0.313  -6.903  -4.772
  227   1HD2  ASN  35          2HD2      ASN  35  -2.753  -8.076  -7.044
  228   2HD2  ASN  35          1HD2      ASN  35  -2.417  -7.735  -5.404
  229    H    CYS  36           H        CYS  36   0.891  -3.060  -4.842
  230    HA   CYS  36           HA       CYS  36   0.979  -2.269  -7.718
  231   1HB   CYS  36          2HB       CYS  36   0.303  -0.056  -7.445
  232   2HB   CYS  36          1HB       CYS  36  -0.872  -1.013  -6.585
  233    H    LYS  37           H        LYS  37   2.777  -3.030  -5.279
  234    HA   LYS  37           HA       LYS  37   5.075  -1.558  -6.271
  235   1HB   LYS  37          2HB       LYS  37   4.236  -1.544  -3.332
  236   2HB   LYS  37          1HB       LYS  37   5.816  -1.050  -3.826
  237   1HG   LYS  37          2HG       LYS  37   3.194   0.285  -4.612
  238   2HG   LYS  37          1HG       LYS  37   4.258   0.872  -3.375
  239   1HD   LYS  37          2HD       LYS  37   4.875   0.787  -6.343
  240   2HD   LYS  37          1HD       LYS  37   4.640   2.186  -5.324
  241   1HE   LYS  37          2HE       LYS  37   6.857   2.282  -5.288
  242   2HE   LYS  37          1HE       LYS  37   6.628   1.174  -3.943
  243   1HZ   LYS  37          2HZ       LYS  37   6.596  -0.287  -6.350
  244   2HZ   LYS  37          1HZ       LYS  37   7.971   0.692  -6.363
  245   3HZ   LYS  37          3HZ       LYS  37   7.700  -0.392  -5.068
  246    H    ALA  38           H        ALA  38   5.039  -3.869  -6.980
  247    HA   ALA  38           HA       ALA  38   5.500  -6.011  -5.128
  248   1HB   ALA  38          1HB       ALA  38   4.710  -6.412  -7.443
  249   2HB   ALA  38          3HB       ALA  38   6.240  -5.815  -8.080
  250   3HB   ALA  38          2HB       ALA  38   6.200  -7.288  -7.140
  251    H    HIS  39           H        HIS  39   7.331  -3.766  -4.697
  252    HA   HIS  39           HA       HIS  39   9.986  -5.095  -5.032
  253   1HB   HIS  39          2HB       HIS  39   9.235  -2.174  -4.640
  254   2HB   HIS  39          1HB       HIS  39  10.864  -2.788  -4.487
  255    HD1  HIS  39           HD1      HIS  39  10.981  -1.010  -6.636
  256    HD2  HIS  39           HD2      HIS  39   9.299  -4.652  -7.423
  257    HE1  HIS  39           HE1      HIS  39  11.025  -1.296  -9.094
  258    H    GLY  40           H        GLY  40   7.622  -4.389  -2.754
  259   1HA   GLY  40          2HA       GLY  40   8.133  -5.555  -0.536
  260   2HA   GLY  40          1HA       GLY  40   9.560  -4.541  -0.515
  261    HA   PRO  41           HA       PRO  41  10.284  -2.987   0.451
  262   1HB   PRO  41          2HB       PRO  41  10.548  -1.431   2.664
  263   2HB   PRO  41          1HB       PRO  41  10.230  -0.732   1.072
  264   1HG   PRO  41          2HG       PRO  41   8.180  -1.459   3.221
  265   2HG   PRO  41          1HG       PRO  41   8.394   0.104   2.430
  266   1HD   PRO  41          2HD       PRO  41   6.538  -1.703   1.461
  267   2HD   PRO  41          1HD       PRO  41   7.475  -0.712   0.336
  268    H    THR  42           H        THR  42  11.661  -4.127   1.733
  269    HA   THR  42           HA       THR  42  10.962  -6.473   2.853
  270    HB   THR  42           HB       THR  42  13.366  -5.094   4.093
  271    HG1  THR  42           HG1      THR  42  14.084  -4.499   2.169
  272   1HG2  THR  42          3HG2      THR  42  13.044  -7.659   3.963
  273   2HG2  THR  42          2HG2      THR  42  13.056  -7.507   2.211
  274   3HG2  THR  42          1HG2      THR  42  14.491  -7.101   3.139
  275    H    ILE  43           H        ILE  43  10.151  -3.642   4.516
  276    HA   ILE  43           HA       ILE  43   9.913  -5.204   7.067
  277    HB   ILE  43           HB       ILE  43  10.191  -3.066   8.310
  278   1HG1  ILE  43          2HG1      ILE  43  10.888  -1.804   5.609
  279   2HG1  ILE  43          1HG1      ILE  43   9.371  -1.537   6.446
  280   1HG2  ILE  43          1HG2      ILE  43  12.183  -4.499   7.866
  281   2HG2  ILE  43          3HG2      ILE  43  12.477  -3.655   6.354
  282   3HG2  ILE  43          2HG2      ILE  43  12.667  -2.818   7.887
  283   1HD1  ILE  43          2HD1      ILE  43  10.611  -0.578   8.390
  284   2HD1  ILE  43          1HD1      ILE  43  12.135  -0.809   7.548
  285   3HD1  ILE  43          3HD1      ILE  43  10.941   0.306   6.914
  286    H    GLY  44           H        GLY  44   8.072  -3.921   4.664
  287   1HA   GLY  44          2HA       GLY  44   5.575  -4.231   6.029
  288   2HA   GLY  44          1HA       GLY  44   5.935  -2.502   5.832
  289    H    TRP  45           H        TRP  45   4.020  -4.316   4.272
  290    HA   TRP  45           HA       TRP  45   5.346  -4.236   1.600
  291   1HB   TRP  45          2HB       TRP  45   2.557  -5.150   2.163
  292   2HB   TRP  45          1HB       TRP  45   3.560  -5.558   0.797
  293    HD1  TRP  45           HD1      TRP  45   4.291  -6.140   4.720
  294    HE1  TRP  45           HE1      TRP  45   4.685  -8.589   4.889
  295    HE3  TRP  45           HE3      TRP  45   3.619  -7.490  -0.074
  296    HZ2  TRP  45           HZ2      TRP  45   4.719 -10.975   3.251
  297    HZ3  TRP  45           HZ3      TRP  45   3.834  -9.843  -0.778
  298    HH2  TRP  45           HH2      TRP  45   4.385 -11.580   0.881
  299    H    CYS  46           H        CYS  46   4.735  -2.819  -0.067
  300    HA   CYS  46           HA       CYS  46   2.764  -0.725   0.730
  301   1HB   CYS  46          2HB       CYS  46   5.025  -0.912  -1.255
  302   2HB   CYS  46          1HB       CYS  46   3.767   0.263  -1.523
  303    H    CYS  47           H        CYS  47   0.796  -0.721  -0.113
  304    HA   CYS  47           HA       CYS  47   0.345  -1.907  -2.746
  305   1HB   CYS  47          2HB       CYS  47   0.208  -3.678  -0.833
  306   2HB   CYS  47          1HB       CYS  47  -1.234  -2.848  -0.312
  307    H    LYS  48           H        LYS  48  -2.391  -2.123  -2.691
  308    HA   LYS  48           HA       LYS  48  -3.452   0.486  -1.842
  309   1HB   LYS  48          2HB       LYS  48  -4.097   1.165  -4.132
  310   2HB   LYS  48          1HB       LYS  48  -2.361   0.973  -4.092
  311   1HG   LYS  48          2HG       LYS  48  -2.652  -1.330  -5.113
  312   2HG   LYS  48          1HG       LYS  48  -4.385  -1.033  -5.223
  313   1HD   LYS  48          2HD       LYS  48  -3.918   1.025  -6.583
  314   2HD   LYS  48          1HD       LYS  48  -2.196   0.668  -6.515
  315   1HE   LYS  48          2HE       LYS  48  -2.689  -1.550  -7.677
  316   2HE   LYS  48          1HE       LYS  48  -4.368  -1.052  -7.808
  317   1HZ   LYS  48          2HZ       LYS  48  -2.761   1.068  -8.761
  318   2HZ   LYS  48          1HZ       LYS  48  -2.241  -0.357  -9.517
  319   3HZ   LYS  48          3HZ       LYS  48  -3.859   0.105  -9.627
  320    H    GLN  49           H        GLN  49  -5.898   0.413  -2.326
  321    HA   GLN  49           HA       GLN  49  -6.827  -2.069  -1.537
  322   1HB   GLN  49          2HB       GLN  49  -7.521   0.621  -1.269
  323   2HB   GLN  49          1HB       GLN  49  -8.636   0.099  -2.533
  324   1HG   GLN  49          2HG       GLN  49  -9.133  -1.804  -1.264
  325   2HG   GLN  49          1HG       GLN  49  -8.061  -1.293   0.028
  326   1HE2  GLN  49          2HE2      GLN  49 -11.687  -0.131   0.610
  327   2HE2  GLN  49          1HE2      GLN  49 -11.174  -1.583  -0.120
   
  No H/Q in entry =         327
  Start of MODEL          13
 Raw file had  333 H/Q atoms
  Start of MODEL   13
    1   1H    GLY   1          3H        GLY   1  -2.007   6.652   9.547
    2   2H    GLY   1          2H        GLY   1  -3.687   6.456   9.387
    3   3H    GLY   1          1H        GLY   1  -2.850   5.664  10.642
    4   1HA   GLY   1          2HA       GLY   1  -2.439   3.911   9.307
    5   2HA   GLY   1          1HA       GLY   1  -3.311   4.746   7.998
    6    H    VAL   2           H        VAL   2  -1.191   3.465   6.946
    7    HA   VAL   2           HA       VAL   2   0.849   5.620   6.677
    8    HB   VAL   2           HB       VAL   2   1.576   2.682   6.478
    9   1HG1  VAL   2          2HG1      VAL   2   3.228   5.201   6.994
   10   2HG1  VAL   2          1HG1      VAL   2   3.883   3.581   6.880
   11   3HG1  VAL   2          3HG1      VAL   2   3.152   4.320   5.477
   12   1HG2  VAL   2          1HG2      VAL   2   1.802   4.405   8.984
   13   2HG2  VAL   2          3HG2      VAL   2   0.738   3.019   8.805
   14   3HG2  VAL   2          2HG2      VAL   2   2.473   2.794   8.792
   15    H    SER   3           H        SER   3   1.373   6.061   4.719
   16    HA   SER   3           HA       SER   3   0.247   4.530   2.443
   17   1HB   SER   3          2HB       SER   3   0.858   7.490   2.775
   18   2HB   SER   3          1HB       SER   3   0.234   6.775   1.299
   19    HG   SER   3           HG       SER   3  -1.649   6.577   2.223
   20    H    CYS   4           H        CYS   4   1.524   5.140   0.460
   21    HA   CYS   4           HA       CYS   4   4.276   5.765   0.520
   22   1HB   CYS   4          2HB       CYS   4   4.942   3.358  -0.290
   23   2HB   CYS   4          1HB       CYS   4   4.888   3.676   1.417
   24    H    LEU   5           H        LEU   5   5.044   5.441  -1.774
   25    HA   LEU   5           HA       LEU   5   2.825   5.910  -3.584
   26   1HB   LEU   5          2HB       LEU   5   4.529   6.556  -5.060
   27   2HB   LEU   5          1HB       LEU   5   4.834   7.284  -3.529
   28    HG   LEU   5           HG       LEU   5   6.270   4.874  -3.335
   29   1HD1  LEU   5          2HD1      LEU   5   6.525   5.905  -6.194
   30   2HD1  LEU   5          1HD1      LEU   5   7.542   4.676  -5.462
   31   3HD1  LEU   5          3HD1      LEU   5   5.833   4.373  -5.705
   32   1HD2  LEU   5          3HD2      LEU   5   7.018   7.135  -2.649
   33   2HD2  LEU   5          2HD2      LEU   5   8.259   6.332  -3.605
   34   3HD2  LEU   5          1HD2      LEU   5   7.241   7.562  -4.342
   35    H    CYS   6           H        CYS   6   2.495   4.676  -5.439
   36    HA   CYS   6           HA       CYS   6   3.265   1.828  -5.123
   37   1HB   CYS   6          2HB       CYS   6   1.018   3.285  -6.490
   38   2HB   CYS   6          1HB       CYS   6   1.464   1.736  -7.111
   39    H    ASP   7           H        ASP   7   4.006   0.812  -7.293
   40    HA   ASP   7           HA       ASP   7   6.074   2.405  -8.411
   41   1HB   ASP   7          2HB       ASP   7   4.670  -0.096  -9.520
   42   2HB   ASP   7          1HB       ASP   7   6.130   0.580 -10.217
   43    H    SER   8           H        SER   8   2.800   2.245  -9.060
   44    HA   SER   8           HA       SER   8   2.570   3.290 -11.690
   45   1HB   SER   8          2HB       SER   8   0.288   4.203 -10.582
   46   2HB   SER   8          1HB       SER   8   0.526   2.451 -10.722
   47    HG   SER   8           HG       SER   8   1.076   4.130  -8.450
   48    H    ASP   9           H        ASP   9   3.482   4.689  -8.772
   49    HA   ASP   9           HA       ASP   9   3.076   7.451  -9.622
   50   1HB   ASP   9          2HB       ASP   9   4.319   6.256  -7.097
   51   2HB   ASP   9          1HB       ASP   9   3.943   7.954  -7.276
   52    H    GLY  10           H        GLY  10   5.144   5.325 -10.341
   53   1HA   GLY  10          2HA       GLY  10   7.354   5.192 -11.140
   54   2HA   GLY  10          1HA       GLY  10   7.031   6.805 -11.720
   55    HA   PRO  11           HA       PRO  11  10.840   6.880  -9.555
   56   1HB   PRO  11          2HB       PRO  11  12.019   9.057 -10.598
   57   2HB   PRO  11          1HB       PRO  11  11.526   7.715 -11.640
   58   1HG   PRO  11          2HG       PRO  11   9.902  10.252 -10.998
   59   2HG   PRO  11          1HG       PRO  11  10.356   9.655 -12.596
   60   1HD   PRO  11          2HD       PRO  11   7.914   9.011 -11.450
   61   2HD   PRO  11          1HD       PRO  11   8.777   7.847 -12.482
   62    H    SER  12           H        SER  12  11.906   7.607  -7.737
   63    HA   SER  12           HA       SER  12  10.400   9.508  -6.099
   64   1HB   SER  12          2HB       SER  12  12.157   8.766  -4.439
   65   2HB   SER  12          1HB       SER  12  10.979   7.574  -5.081
   66    HG   SER  12           HG       SER  12  13.734   7.911  -5.682
   67    H    VAL  13           H        VAL  13  10.868  11.064  -7.381
   68    HA   VAL  13           HA       VAL  13  13.581  12.379  -7.324
   69    HB   VAL  13           HB       VAL  13  11.090  13.416  -8.688
   70   1HG1  VAL  13          1HG1      VAL  13  14.052  13.854  -9.325
   71   2HG1  VAL  13          3HG1      VAL  13  12.719  14.527 -10.251
   72   3HG1  VAL  13          2HG1      VAL  13  12.984  15.043  -8.602
   73   1HG2  VAL  13          3HG2      VAL  13  13.149  11.482  -9.880
   74   2HG2  VAL  13          2HG2      VAL  13  11.461  11.118  -9.559
   75   3HG2  VAL  13          1HG2      VAL  13  11.887  12.272 -10.808
   76    H    ARG  14           H        ARG  14  11.819  12.039  -5.105
   77    HA   ARG  14           HA       ARG  14  11.195  13.065  -3.150
   78   1HB   ARG  14          2HB       ARG  14  13.384  14.198  -3.438
   79   2HB   ARG  14          1HB       ARG  14  12.688  15.407  -4.476
   80   1HG   ARG  14          2HG       ARG  14  11.606  15.086  -1.710
   81   2HG   ARG  14          1HG       ARG  14  13.162  15.862  -1.959
   82   1HD   ARG  14          2HD       ARG  14  12.030  17.421  -3.670
   83   2HD   ARG  14          1HD       ARG  14  10.477  16.776  -3.188
   84    HE   ARG  14           HE       ARG  14  11.711  17.586  -0.788
   85   1HH1  ARG  14          2HH1      ARG  14  12.891  19.612  -2.461
   86   2HH1  ARG  14          1HH1      ARG  14  11.771  20.924  -2.469
   87   1HH2  ARG  14          1HH2      ARG  14   9.214  18.700  -1.311
   88   2HH2  ARG  14          2HH2      ARG  14   9.476  20.350  -1.733
   89    H    GLY  15           H        GLY  15   9.576  14.556  -2.292
   90   1HA   GLY  15          2HA       GLY  15   7.500  15.714  -2.431
   91   2HA   GLY  15          1HA       GLY  15   8.023  16.289  -4.024
   92    H    ASN  16           H        ASN  16   7.935  12.975  -3.148
   93    HA   ASN  16           HA       ASN  16   6.275  12.255  -5.394
   94   1HB   ASN  16          2HB       ASN  16   6.509   9.905  -4.381
   95   2HB   ASN  16          1HB       ASN  16   8.043  10.725  -4.638
   96   1HD2  ASN  16          2HD2      ASN  16   7.025   9.808  -0.898
   97   2HD2  ASN  16          1HD2      ASN  16   6.090   9.260  -2.214
   98    H    THR  17           H        THR  17   4.504  10.718  -5.163
   99    HA   THR  17           HA       THR  17   2.390  11.826  -3.523
  100    HB   THR  17           HB       THR  17   1.102  10.319  -5.343
  101    HG1  THR  17           HG1      THR  17   2.536   9.237  -6.438
  102   1HG2  THR  17          2HG2      THR  17   1.516  12.921  -5.570
  103   2HG2  THR  17          1HG2      THR  17   3.043  12.510  -6.332
  104   3HG2  THR  17          3HG2      THR  17   1.529  12.042  -7.087
  105    H    LEU  18           H        LEU  18   1.608  10.832  -1.731
  106    HA   LEU  18           HA       LEU  18   2.288   8.010  -1.204
  107   1HB   LEU  18          2HB       LEU  18   1.235  10.388   0.378
  108   2HB   LEU  18          1HB       LEU  18   0.877   8.798   0.983
  109    HG   LEU  18           HG       LEU  18   3.252   8.228   0.698
  110   1HD1  LEU  18          1HD1      LEU  18   3.657  11.216   0.253
  111   2HD1  LEU  18          3HD1      LEU  18   4.962  10.088   0.576
  112   3HD1  LEU  18          2HD1      LEU  18   4.026   9.935  -0.888
  113   1HD2  LEU  18          3HD2      LEU  18   2.692  10.541   2.626
  114   2HD2  LEU  18          2HD2      LEU  18   2.455   8.836   2.972
  115   3HD2  LEU  18          1HD2      LEU  18   4.072   9.471   2.769
  116    H    SER  19           H        SER  19   0.979   7.757  -3.225
  117    HA   SER  19           HA       SER  19  -1.920   7.844  -2.893
  118   1HB   SER  19          2HB       SER  19  -0.838   8.116  -5.177
  119   2HB   SER  19          1HB       SER  19  -0.384   6.411  -5.133
  120    HG   SER  19           HG       SER  19  -2.866   6.369  -4.371
  121    H    GLY  20           H        GLY  20   0.413   5.226  -2.288
  122   1HA   GLY  20          2HA       GLY  20  -1.737   3.321  -2.292
  123   2HA   GLY  20          1HA       GLY  20  -0.041   2.947  -2.090
  124    H    THR  21           H        THR  21  -0.921   1.539  -0.287
  125    HA   THR  21           HA       THR  21  -0.900   3.004   2.193
  126    HB   THR  21           HB       THR  21  -2.629   0.573   1.889
  127    HG1  THR  21           HG1      THR  21  -2.986   3.072   0.740
  128   1HG2  THR  21          3HG2      THR  21  -2.223   1.645   4.168
  129   2HG2  THR  21          2HG2      THR  21  -2.952   3.120   3.562
  130   3HG2  THR  21          1HG2      THR  21  -3.917   1.659   3.718
  131    H    LEU  22           H        LEU  22   0.256   1.961   3.521
  132    HA   LEU  22           HA       LEU  22   1.637  -0.512   2.591
  133   1HB   LEU  22          2HB       LEU  22   3.141   1.080   3.030
  134   2HB   LEU  22          1HB       LEU  22   2.443   1.671   4.524
  135    HG   LEU  22           HG       LEU  22   3.200  -1.153   4.859
  136   1HD1  LEU  22          2HD1      LEU  22   4.620  -0.856   2.835
  137   2HD1  LEU  22          1HD1      LEU  22   5.422   0.499   3.600
  138   3HD1  LEU  22          3HD1      LEU  22   5.593  -1.110   4.273
  139   1HD2  LEU  22          2HD2      LEU  22   3.240   0.643   6.597
  140   2HD2  LEU  22          1HD2      LEU  22   4.767  -0.226   6.522
  141   3HD2  LEU  22          3HD2      LEU  22   4.625   1.366   5.796
  142    H    TRP  23           H        TRP  23   1.392  -2.220   3.559
  143    HA   TRP  23           HA       TRP  23  -0.379  -2.424   5.947
  144   1HB   TRP  23          2HB       TRP  23   0.003  -4.150   3.492
  145   2HB   TRP  23          1HB       TRP  23  -0.664  -4.884   4.960
  146    HD1  TRP  23           HD1      TRP  23  -1.702  -2.532   2.072
  147    HE1  TRP  23           HE1      TRP  23  -4.040  -1.781   2.597
  148    HE3  TRP  23           HE3      TRP  23  -2.151  -4.341   6.749
  149    HZ2  TRP  23           HZ2      TRP  23  -5.959  -1.875   4.748
  150    HZ3  TRP  23           HZ3      TRP  23  -4.224  -3.990   8.034
  151    HH2  TRP  23           HH2      TRP  23  -6.129  -2.774   7.037
  152    H    LEU  24           H        LEU  24   0.372  -3.104   7.675
  153    HA   LEU  24           HA       LEU  24   3.136  -4.039   7.970
  154   1HB   LEU  24          2HB       LEU  24   1.246  -3.782  10.318
  155   2HB   LEU  24          1HB       LEU  24   2.949  -3.412  10.223
  156    HG   LEU  24           HG       LEU  24   0.781  -1.818   8.842
  157   1HD1  LEU  24          3HD1      LEU  24   0.663  -1.556  11.316
  158   2HD1  LEU  24          2HD1      LEU  24   2.372  -1.174  11.372
  159   3HD1  LEU  24          1HD1      LEU  24   1.253  -0.072  10.594
  160   1HD2  LEU  24          2HD2      LEU  24   3.762  -1.237   9.216
  161   2HD2  LEU  24          1HD2      LEU  24   2.990  -1.654   7.696
  162   3HD2  LEU  24          3HD2      LEU  24   2.608  -0.137   8.486
  163    H    TYR  25           H        TYR  25   0.182  -5.228   7.596
  164    HA   TYR  25           HA       TYR  25   0.180  -7.603   9.244
  165   1HB   TYR  25          2HB       TYR  25  -1.125  -7.017   6.537
  166   2HB   TYR  25          1HB       TYR  25  -1.409  -8.492   7.343
  167    HD1  TYR  25           HD2      TYR  25  -1.176  -6.096   9.989
  168    HD2  TYR  25           HD1      TYR  25  -3.784  -7.532   6.942
  169    HE1  TYR  25           HE2      TYR  25  -3.087  -5.293  11.243
  170    HE2  TYR  25           HE1      TYR  25  -5.710  -6.716   8.208
  171    HH   TYR  25           HH       TYR  25  -5.323  -4.961  11.275
  172    HA   PRO  26           HA       PRO  26   3.486  -9.561   7.865
  173   1HB   PRO  26          2HB       PRO  26   2.971 -12.283   7.875
  174   2HB   PRO  26          1HB       PRO  26   3.012 -11.321   9.354
  175   1HG   PRO  26          2HG       PRO  26   0.562 -12.046   7.638
  176   2HG   PRO  26          1HG       PRO  26   0.753 -12.254   9.379
  177   1HD   PRO  26          2HD       PRO  26  -0.532 -10.068   8.415
  178   2HD   PRO  26          1HD       PRO  26   0.580  -9.875   9.790
  179    H    SER  27           H        SER  27   0.958  -9.890   5.849
  180    HA   SER  27           HA       SER  27   2.755 -10.691   3.569
  181   1HB   SER  27          2HB       SER  27   0.580 -11.562   2.543
  182   2HB   SER  27          1HB       SER  27   1.281 -12.524   3.853
  183    HG   SER  27           HG       SER  27  -0.579 -12.173   4.804
  184    H    GLY  28           H        GLY  28   1.316  -8.198   4.847
  185   1HA   GLY  28          2HA       GLY  28   1.072  -6.052   3.981
  186   2HA   GLY  28          1HA       GLY  28   1.330  -6.741   2.383
  187    H    CYS  29           H        CYS  29  -0.089  -6.441   1.171
  188    HA   CYS  29           HA       CYS  29  -2.473  -5.327   1.318
  189   1HB   CYS  29          2HB       CYS  29  -1.058  -6.379  -0.700
  190   2HB   CYS  29          1HB       CYS  29  -2.383  -7.513  -0.663
  191    HA   PRO  30           HA       PRO  30  -4.809  -8.594   3.436
  192   1HB   PRO  30          2HB       PRO  30  -6.714  -6.965   4.520
  193   2HB   PRO  30          1HB       PRO  30  -5.088  -7.150   5.186
  194   1HG   PRO  30          2HG       PRO  30  -6.154  -4.803   3.595
  195   2HG   PRO  30          1HG       PRO  30  -4.922  -4.900   4.833
  196   1HD   PRO  30          2HD       PRO  30  -4.521  -4.868   2.014
  197   2HD   PRO  30          1HD       PRO  30  -3.282  -5.143   3.260
  198    H    SER  31           H        SER  31  -6.211  -9.752   2.506
  199    HA   SER  31           HA       SER  31  -7.312  -9.573   0.032
  200   1HB   SER  31          2HB       SER  31  -8.729 -10.969   2.398
  201   2HB   SER  31          1HB       SER  31  -8.652 -11.551   0.721
  202    HG   SER  31           HG       SER  31  -6.802 -12.455   1.348
  203    H    GLY  32           H        GLY  32  -8.285  -8.049  -0.669
  204   1HA   GLY  32          2HA       GLY  32 -10.723  -7.171  -0.876
  205   2HA   GLY  32          1HA       GLY  32 -10.386  -6.545   0.759
  206    H    TRP  33           H        TRP  33  -7.403  -6.666  -0.560
  207    HA   TRP  33           HA       TRP  33  -7.492  -3.979  -1.662
  208   1HB   TRP  33          2HB       TRP  33  -5.429  -5.594   0.017
  209   2HB   TRP  33          1HB       TRP  33  -4.952  -4.146  -0.818
  210    HD1  TRP  33           HD1      TRP  33  -7.875  -5.012   1.677
  211    HE1  TRP  33           HE1      TRP  33  -8.076  -2.890   3.018
  212    HE3  TRP  33           HE3      TRP  33  -4.244  -2.262  -0.449
  213    HZ2  TRP  33           HZ2      TRP  33  -6.835  -0.213   3.215
  214    HZ3  TRP  33           HZ3      TRP  33  -3.765  -0.001   0.254
  215    HH2  TRP  33           HH2      TRP  33  -5.024   1.035   2.030
  216    H    HIS  34           H        HIS  34  -4.939  -4.295  -2.818
  217    HA   HIS  34           HA       HIS  34  -5.246  -6.497  -4.657
  218   1HB   HIS  34          2HB       HIS  34  -5.212  -3.538  -5.379
  219   2HB   HIS  34          1HB       HIS  34  -4.892  -4.780  -6.603
  220    HD1  HIS  34           HD1      HIS  34  -7.719  -3.164  -5.026
  221    HD2  HIS  34           HD2      HIS  34  -6.967  -6.812  -6.674
  222    HE1  HIS  34           HE1      HIS  34  -9.912  -4.155  -5.515
  223    H    ASN  35           H        ASN  35  -3.106  -4.366  -5.976
  224    HA   ASN  35           HA       ASN  35  -0.809  -4.810  -4.384
  225   1HB   ASN  35          2HB       ASN  35   0.363  -6.572  -5.772
  226   2HB   ASN  35          1HB       ASN  35  -1.085  -7.205  -5.023
  227   1HD2  ASN  35          2HD2      ASN  35  -1.055  -6.852  -9.091
  228   2HD2  ASN  35          1HD2      ASN  35   0.044  -5.891  -8.230
  229    H    CYS  36           H        CYS  36   0.818  -3.528  -4.973
  230    HA   CYS  36           HA       CYS  36   0.991  -2.706  -7.847
  231   1HB   CYS  36          2HB       CYS  36   1.104  -0.377  -7.263
  232   2HB   CYS  36          1HB       CYS  36  -0.396  -1.027  -6.671
  233    H    LYS  37           H        LYS  37   2.428  -2.204  -4.661
  234    HA   LYS  37           HA       LYS  37   5.084  -1.994  -5.826
  235   1HB   LYS  37          2HB       LYS  37   4.034  -1.890  -3.016
  236   2HB   LYS  37          1HB       LYS  37   5.696  -1.761  -3.314
  237   1HG   LYS  37          2HG       LYS  37   3.555   0.106  -4.324
  238   2HG   LYS  37          1HG       LYS  37   4.671   0.511  -3.036
  239   1HD   LYS  37          2HD       LYS  37   5.421   0.089  -5.948
  240   2HD   LYS  37          1HD       LYS  37   5.496   1.585  -5.044
  241   1HE   LYS  37          2HE       LYS  37   7.278   0.750  -3.606
  242   2HE   LYS  37          1HE       LYS  37   7.186  -0.854  -4.315
  243   1HZ   LYS  37          3HZ       LYS  37   7.465   0.979  -6.402
  244   2HZ   LYS  37          2HZ       LYS  37   8.677   1.324  -5.270
  245   3HZ   LYS  37          1HZ       LYS  37   8.480  -0.214  -6.004
  246    H    ALA  38           H        ALA  38   4.638  -4.187  -6.664
  247    HA   ALA  38           HA       ALA  38   4.762  -6.450  -4.864
  248   1HB   ALA  38          2HB       ALA  38   5.602  -6.256  -7.797
  249   2HB   ALA  38          1HB       ALA  38   5.342  -7.752  -6.918
  250   3HB   ALA  38          3HB       ALA  38   3.989  -6.683  -7.246
  251    H    HIS  39           H        HIS  39   6.943  -4.144  -5.240
  252    HA   HIS  39           HA       HIS  39   9.321  -5.908  -4.865
  253   1HB   HIS  39          2HB       HIS  39   9.042  -3.148  -6.071
  254   2HB   HIS  39          1HB       HIS  39  10.569  -3.735  -5.449
  255    HD1  HIS  39           HD1      HIS  39  11.600  -4.037  -7.777
  256    HD2  HIS  39           HD2      HIS  39   8.100  -6.121  -7.484
  257    HE1  HIS  39           HE1      HIS  39  11.457  -5.470  -9.786
  258    H    GLY  40           H        GLY  40   7.404  -3.765  -3.016
  259   1HA   GLY  40          2HA       GLY  40   8.267  -3.948  -0.578
  260   2HA   GLY  40          1HA       GLY  40   9.716  -3.222  -1.237
  261    HA   PRO  41           HA       PRO  41  10.489  -1.294  -0.152
  262   1HB   PRO  41          2HB       PRO  41  10.514  -0.123   2.299
  263   2HB   PRO  41          1HB       PRO  41  10.054   0.805   0.862
  264   1HG   PRO  41          2HG       PRO  41   8.171  -0.666   2.808
  265   2HG   PRO  41          1HG       PRO  41   8.116   1.029   2.341
  266   1HD   PRO  41          2HD       PRO  41   6.607  -0.888   1.018
  267   2HD   PRO  41          1HD       PRO  41   7.252   0.506   0.132
  268    H    THR  42           H        THR  42  11.932  -1.953   1.716
  269    HA   THR  42           HA       THR  42  11.346  -4.730   2.319
  270    HB   THR  42           HB       THR  42  13.792  -3.161   3.306
  271    HG1  THR  42           HG1      THR  42  14.210  -4.097   0.873
  272   1HG2  THR  42          2HG2      THR  42  13.458  -5.924   1.970
  273   2HG2  THR  42          1HG2      THR  42  14.946  -5.285   2.667
  274   3HG2  THR  42          3HG2      THR  42  13.590  -5.685   3.702
  275    H    ILE  43           H        ILE  43   9.758  -2.610   3.689
  276    HA   ILE  43           HA       ILE  43   9.972  -3.693   6.433
  277    HB   ILE  43           HB       ILE  43   9.869  -0.655   5.938
  278   1HG1  ILE  43          2HG1      ILE  43  12.222  -2.341   6.980
  279   2HG1  ILE  43          1HG1      ILE  43  12.173  -1.586   5.403
  280   1HG2  ILE  43          2HG2      ILE  43   8.723  -1.459   8.022
  281   2HG2  ILE  43          1HG2      ILE  43  10.193  -2.277   8.523
  282   3HG2  ILE  43          3HG2      ILE  43  10.135  -0.527   8.438
  283   1HD1  ILE  43          2HD1      ILE  43  12.024   0.665   6.471
  284   2HD1  ILE  43          1HD1      ILE  43  12.145  -0.087   8.055
  285   3HD1  ILE  43          3HD1      ILE  43  13.482  -0.196   6.935
  286    H    GLY  44           H        GLY  44   7.983  -4.628   6.208
  287   1HA   GLY  44          2HA       GLY  44   5.580  -4.621   6.386
  288   2HA   GLY  44          1HA       GLY  44   5.599  -2.863   6.114
  289    H    TRP  45           H        TRP  45   3.772  -3.761   4.432
  290    HA   TRP  45           HA       TRP  45   5.241  -4.320   1.850
  291   1HB   TRP  45          2HB       TRP  45   2.451  -5.122   2.535
  292   2HB   TRP  45          1HB       TRP  45   3.290  -5.556   1.064
  293    HD1  TRP  45           HD1      TRP  45   3.594  -6.318   4.943
  294    HE1  TRP  45           HE1      TRP  45   4.394  -8.714   5.029
  295    HE3  TRP  45           HE3      TRP  45   4.222  -7.271   0.030
  296    HZ2  TRP  45           HZ2      TRP  45   5.196 -10.834   3.312
  297    HZ3  TRP  45           HZ3      TRP  45   5.017  -9.490  -0.745
  298    HH2  TRP  45           HH2      TRP  45   5.507 -11.264   0.896
  299    H    CYS  46           H        CYS  46   4.408  -3.135  -0.027
  300    HA   CYS  46           HA       CYS  46   2.494  -0.976   0.779
  301   1HB   CYS  46          2HB       CYS  46   4.899  -1.049  -1.021
  302   2HB   CYS  46          1HB       CYS  46   3.607   0.072  -1.397
  303    H    CYS  47           H        CYS  47   0.632  -0.957  -0.136
  304    HA   CYS  47           HA       CYS  47   0.196  -2.165  -2.765
  305   1HB   CYS  47          2HB       CYS  47  -0.011  -3.944  -0.887
  306   2HB   CYS  47          1HB       CYS  47  -1.457  -3.102  -0.383
  307    H    LYS  48           H        LYS  48  -2.511  -2.240  -2.759
  308    HA   LYS  48           HA       LYS  48  -3.495   0.357  -1.747
  309   1HB   LYS  48          2HB       LYS  48  -4.147   1.046  -4.118
  310   2HB   LYS  48          1HB       LYS  48  -2.416   1.007  -3.875
  311   1HG   LYS  48          2HG       LYS  48  -2.061  -0.944  -5.094
  312   2HG   LYS  48          1HG       LYS  48  -3.692  -1.548  -4.898
  313   1HD   LYS  48          2HD       LYS  48  -3.009   0.936  -6.507
  314   2HD   LYS  48          1HD       LYS  48  -3.083  -0.662  -7.216
  315   1HE   LYS  48          2HE       LYS  48  -5.442  -0.916  -6.758
  316   2HE   LYS  48          1HE       LYS  48  -5.475   0.396  -5.603
  317   1HZ   LYS  48          3HZ       LYS  48  -4.552   1.386  -8.072
  318   2HZ   LYS  48          2HZ       LYS  48  -6.003   0.520  -8.330
  319   3HZ   LYS  48          1HZ       LYS  48  -5.955   1.786  -7.188
  320    H    GLN  49           H        GLN  49  -5.949   0.388  -2.057
  321    HA   GLN  49           HA       GLN  49  -6.804  -2.218  -1.709
  322   1HB   GLN  49          2HB       GLN  49  -7.693   0.309  -0.861
  323   2HB   GLN  49          1HB       GLN  49  -8.835  -0.037  -2.175
  324   1HG   GLN  49          2HG       GLN  49  -8.807  -2.378  -1.284
  325   2HG   GLN  49          1HG       GLN  49  -8.078  -1.685   0.151
  326   1HE2  GLN  49          2HE2      GLN  49 -11.790  -2.133   0.436
  327   2HE2  GLN  49          1HE2      GLN  49 -10.585  -3.147  -0.235
   
  No H/Q in entry =         327
  Start of MODEL          14
 Raw file had  333 H/Q atoms
  Start of MODEL   14
    1   1H    GLY   1          1H        GLY   1  -2.534   6.537   9.720
    2   2H    GLY   1          3H        GLY   1  -4.190   6.333   9.396
    3   3H    GLY   1          2H        GLY   1  -3.451   5.453  10.651
    4   1HA   GLY   1          2HA       GLY   1  -2.889   3.817   9.241
    5   2HA   GLY   1          1HA       GLY   1  -3.664   4.730   7.924
    6    H    VAL   2           H        VAL   2  -1.499   3.587   6.930
    7    HA   VAL   2           HA       VAL   2   0.477   5.774   6.760
    8    HB   VAL   2           HB       VAL   2   1.373   2.867   6.982
    9   1HG1  VAL   2          3HG1      VAL   2   2.882   5.512   7.204
   10   2HG1  VAL   2          2HG1      VAL   2   3.610   3.924   7.350
   11   3HG1  VAL   2          1HG1      VAL   2   2.918   4.424   5.826
   12   1HG2  VAL   2          3HG2      VAL   2   1.387   4.928   9.229
   13   2HG2  VAL   2          2HG2      VAL   2   0.404   3.474   9.205
   14   3HG2  VAL   2          1HG2      VAL   2   2.145   3.344   9.314
   15    H    SER   3           H        SER   3   1.307   5.905   4.671
   16    HA   SER   3           HA       SER   3   0.603   3.805   2.763
   17   1HB   SER   3          2HB       SER   3   0.013   6.807   2.571
   18   2HB   SER   3          1HB       SER   3  -0.141   5.701   1.237
   19    HG   SER   3           HG       SER   3  -1.951   5.115   2.043
   20    H    CYS   4           H        CYS   4   1.513   4.547   0.553
   21    HA   CYS   4           HA       CYS   4   4.094   5.848   0.605
   22   1HB   CYS   4          2HB       CYS   4   5.112   3.503  -0.218
   23   2HB   CYS   4          1HB       CYS   4   5.085   3.964   1.463
   24    H    LEU   5           H        LEU   5   5.134   5.671  -1.598
   25    HA   LEU   5           HA       LEU   5   3.281   6.151  -3.679
   26   1HB   LEU   5          2HB       LEU   5   5.814   6.927  -3.067
   27   2HB   LEU   5          1HB       LEU   5   6.202   5.573  -4.118
   28    HG   LEU   5           HG       LEU   5   4.339   7.782  -4.807
   29   1HD1  LEU   5          1HD1      LEU   5   7.307   7.464  -5.460
   30   2HD1  LEU   5          3HD1      LEU   5   6.330   8.723  -6.170
   31   3HD1  LEU   5          2HD1      LEU   5   6.637   8.719  -4.435
   32   1HD2  LEU   5          1HD2      LEU   5   5.918   5.803  -6.567
   33   2HD2  LEU   5          3HD2      LEU   5   4.187   5.747  -6.308
   34   3HD2  LEU   5          2HD2      LEU   5   4.898   7.057  -7.222
   35    H    CYS   6           H        CYS   6   2.467   4.813  -5.168
   36    HA   CYS   6           HA       CYS   6   3.282   1.960  -5.108
   37   1HB   CYS   6          2HB       CYS   6   0.836   3.432  -5.812
   38   2HB   CYS   6          1HB       CYS   6   1.113   1.997  -6.753
   39    H    ASP   7           H        ASP   7   3.603   0.822  -7.092
   40    HA   ASP   7           HA       ASP   7   5.312   2.056  -9.028
   41   1HB   ASP   7          2HB       ASP   7   4.198  -0.696  -8.588
   42   2HB   ASP   7          1HB       ASP   7   4.479  -0.311 -10.264
   43    H    SER   8           H        SER   8   2.024   2.275  -8.853
   44    HA   SER   8           HA       SER   8   1.714   2.623 -11.808
   45   1HB   SER   8          2HB       SER   8  -0.804   2.569 -11.178
   46   2HB   SER   8          1HB       SER   8   0.063   1.045 -11.017
   47    HG   SER   8           HG       SER   8  -0.096   2.865  -8.828
   48    H    ASP   9           H        ASP   9   2.685   4.434  -9.470
   49    HA   ASP   9           HA       ASP   9   0.965   6.742 -10.079
   50   1HB   ASP   9          2HB       ASP   9   2.985   6.417  -7.850
   51   2HB   ASP   9          1HB       ASP   9   1.729   7.633  -7.917
   52    H    GLY  10           H        GLY  10   3.553   5.598 -11.222
   53   1HA   GLY  10          2HA       GLY  10   4.638   7.035 -12.976
   54   2HA   GLY  10          1HA       GLY  10   4.847   8.236 -11.705
   55    HA   PRO  11           HA       PRO  11   8.764   5.929 -11.866
   56   1HB   PRO  11          2HB       PRO  11  10.504   7.945 -11.428
   57   2HB   PRO  11          1HB       PRO  11   9.602   7.882 -12.947
   58   1HG   PRO  11          2HG       PRO  11   8.924   9.492 -10.419
   59   2HG   PRO  11          1HG       PRO  11   8.997  10.059 -12.086
   60   1HD   PRO  11          2HD       PRO  11   6.614   9.268 -10.885
   61   2HD   PRO  11          1HD       PRO  11   6.874   9.121 -12.638
   62    H    SER  12           H        SER  12  10.702   5.676 -10.188
   63    HA   SER  12           HA       SER  12   9.414   5.456  -7.558
   64   1HB   SER  12          2HB       SER  12  11.943   4.409  -7.269
   65   2HB   SER  12          1HB       SER  12  10.578   3.478  -7.920
   66    HG   SER  12           HG       SER  12  11.924   3.394  -9.608
   67    H    VAL  13           H        VAL  13   9.563   7.122  -6.214
   68    HA   VAL  13           HA       VAL  13  12.042   8.366  -5.473
   69    HB   VAL  13           HB       VAL  13  11.783   9.541  -7.646
   70   1HG1  VAL  13          2HG1      VAL  13   9.354   9.153  -7.986
   71   2HG1  VAL  13          1HG1      VAL  13   8.974  10.305  -6.717
   72   3HG1  VAL  13          3HG1      VAL  13   9.739  10.848  -8.200
   73   1HG2  VAL  13          2HG2      VAL  13  12.548  11.052  -5.793
   74   2HG2  VAL  13          1HG2      VAL  13  11.651  11.889  -7.038
   75   3HG2  VAL  13          3HG2      VAL  13  10.877  11.551  -5.519
   76    H    ARG  14           H        ARG  14  11.271  10.479  -4.071
   77    HA   ARG  14           HA       ARG  14   8.730   9.804  -2.682
   78   1HB   ARG  14          2HB       ARG  14   9.973  10.373  -0.518
   79   2HB   ARG  14          1HB       ARG  14  10.506   8.884  -1.272
   80   1HG   ARG  14          2HG       ARG  14  12.429  10.126  -2.316
   81   2HG   ARG  14          1HG       ARG  14  11.889  11.600  -1.528
   82   1HD   ARG  14          2HD       ARG  14  12.263  10.610   0.692
   83   2HD   ARG  14          1HD       ARG  14  12.661   9.052  -0.021
   84    HE   ARG  14           HE       ARG  14  14.302  11.519  -0.567
   85   1HH1  ARG  14          1HH2      ARG  14  14.885   9.055  -2.022
   86   2HH1  ARG  14          2HH2      ARG  14  16.136   8.297  -1.113
   87   1HH2  ARG  14          2HH1      ARG  14  15.365  10.330   1.711
   88   2HH2  ARG  14          1HH1      ARG  14  16.425   9.080   1.188
   89    H    GLY  15           H        GLY  15   7.561  11.627  -2.310
   90   1HA   GLY  15          2HA       GLY  15   7.746  14.139  -1.730
   91   2HA   GLY  15          1HA       GLY  15   8.768  14.247  -3.169
   92    H    ASN  16           H        ASN  16   7.217  12.165  -4.451
   93    HA   ASN  16           HA       ASN  16   5.352  13.712  -5.973
   94   1HB   ASN  16          2HB       ASN  16   6.382  11.773  -7.010
   95   2HB   ASN  16          1HB       ASN  16   5.911  10.721  -5.686
   96   1HD2  ASN  16          2HD2      ASN  16   3.119   9.785  -7.588
   97   2HD2  ASN  16          1HD2      ASN  16   4.437   9.246  -6.667
   98    H    THR  17           H        THR  17   4.529  10.861  -4.192
   99    HA   THR  17           HA       THR  17   2.748  11.944  -2.304
  100    HB   THR  17           HB       THR  17   1.307  12.621  -4.311
  101    HG1  THR  17           HG1      THR  17  -0.412  10.916  -3.474
  102   1HG2  THR  17          2HG2      THR  17   1.057   9.587  -4.749
  103   2HG2  THR  17          1HG2      THR  17   0.222  10.835  -5.653
  104   3HG2  THR  17          3HG2      THR  17   1.953  10.659  -5.803
  105    H    LEU  18           H        LEU  18   0.994   9.970  -1.919
  106    HA   LEU  18           HA       LEU  18   2.375   7.363  -2.214
  107   1HB   LEU  18          2HB       LEU  18   2.100   6.959   0.242
  108   2HB   LEU  18          1HB       LEU  18   3.403   8.028  -0.216
  109    HG   LEU  18           HG       LEU  18   0.687   8.927   0.766
  110   1HD1  LEU  18          3HD1      LEU  18   1.950   7.576   2.505
  111   2HD1  LEU  18          2HD1      LEU  18   3.356   8.583   2.266
  112   3HD1  LEU  18          1HD1      LEU  18   1.903   9.261   2.984
  113   1HD2  LEU  18          3HD2      LEU  18   3.384  10.416   0.626
  114   2HD2  LEU  18          2HD2      LEU  18   1.991  10.778  -0.375
  115   3HD2  LEU  18          1HD2      LEU  18   1.917  11.059   1.332
  116    H    SER  19           H        SER  19   0.358   7.789  -3.593
  117    HA   SER  19           HA       SER  19  -2.246   7.661  -2.873
  118   1HB   SER  19          2HB       SER  19  -1.266   5.884  -5.116
  119   2HB   SER  19          1HB       SER  19  -2.591   7.054  -5.128
  120    HG   SER  19           HG       SER  19  -0.072   7.395  -5.772
  121    H    GLY  20           H        GLY  20  -0.043   4.855  -2.697
  122   1HA   GLY  20          2HA       GLY  20  -2.245   3.077  -2.317
  123   2HA   GLY  20          1HA       GLY  20  -0.560   2.635  -2.136
  124    H    THR  21           H        THR  21  -0.997   1.459  -0.127
  125    HA   THR  21           HA       THR  21  -1.049   3.120   2.193
  126    HB   THR  21           HB       THR  21  -2.806   0.677   1.963
  127    HG1  THR  21           HG1      THR  21  -3.191   3.260   1.080
  128   1HG2  THR  21          3HG2      THR  21  -2.768   2.999   3.937
  129   2HG2  THR  21          2HG2      THR  21  -3.838   1.601   4.012
  130   3HG2  THR  21          1HG2      THR  21  -2.114   1.405   4.276
  131    H    LEU  22           H        LEU  22   0.063   1.976   3.684
  132    HA   LEU  22           HA       LEU  22   1.609  -0.354   2.633
  133   1HB   LEU  22          2HB       LEU  22   3.039   1.287   3.154
  134   2HB   LEU  22          1HB       LEU  22   2.264   1.817   4.624
  135    HG   LEU  22           HG       LEU  22   3.225  -0.984   4.880
  136   1HD1  LEU  22          2HD1      LEU  22   5.337   1.001   3.958
  137   2HD1  LEU  22          1HD1      LEU  22   5.642  -0.630   4.532
  138   3HD1  LEU  22          3HD1      LEU  22   4.788  -0.372   3.017
  139   1HD2  LEU  22          1HD2      LEU  22   2.914   0.668   6.722
  140   2HD2  LEU  22          3HD2      LEU  22   4.537  -0.010   6.726
  141   3HD2  LEU  22          2HD2      LEU  22   4.257   1.608   6.101
  142    H    TRP  23           H        TRP  23   1.582  -2.147   3.604
  143    HA   TRP  23           HA       TRP  23  -0.255  -2.446   5.951
  144   1HB   TRP  23          2HB       TRP  23   0.188  -4.140   3.476
  145   2HB   TRP  23          1HB       TRP  23  -0.433  -4.913   4.940
  146    HD1  TRP  23           HD1      TRP  23  -1.637  -2.592   2.056
  147    HE1  TRP  23           HE1      TRP  23  -4.004  -1.975   2.604
  148    HE3  TRP  23           HE3      TRP  23  -1.965  -4.423   6.740
  149    HZ2  TRP  23           HZ2      TRP  23  -5.892  -2.161   4.732
  150    HZ3  TRP  23           HZ3      TRP  23  -4.045  -4.169   8.037
  151    HH2  TRP  23           HH2      TRP  23  -6.019  -3.057   7.037
  152    H    LEU  24           H        LEU  24   0.482  -3.140   7.669
  153    HA   LEU  24           HA       LEU  24   3.293  -3.903   8.021
  154   1HB   LEU  24          2HB       LEU  24   1.252  -3.763  10.273
  155   2HB   LEU  24          1HB       LEU  24   2.958  -3.405  10.323
  156    HG   LEU  24           HG       LEU  24   0.905  -1.753   8.835
  157   1HD1  LEU  24          1HD1      LEU  24   2.362  -1.183  11.467
  158   2HD1  LEU  24          3HD1      LEU  24   1.311  -0.050  10.642
  159   3HD1  LEU  24          2HD1      LEU  24   0.651  -1.534  11.308
  160   1HD2  LEU  24          1HD2      LEU  24   3.884  -1.264   9.416
  161   2HD2  LEU  24          3HD2      LEU  24   3.198  -1.602   7.840
  162   3HD2  LEU  24          2HD2      LEU  24   2.819  -0.100   8.664
  163    H    TYR  25           H        TYR  25   0.383  -5.204   7.635
  164    HA   TYR  25           HA       TYR  25   0.446  -7.624   9.172
  165   1HB   TYR  25          2HB       TYR  25  -0.795  -7.030   6.431
  166   2HB   TYR  25          1HB       TYR  25  -1.021  -8.549   7.186
  167    HD1  TYR  25           HD1      TYR  25  -1.065  -6.215   9.899
  168    HD2  TYR  25           HD2      TYR  25  -3.396  -7.701   6.649
  169    HE1  TYR  25           HE1      TYR  25  -3.118  -5.521  11.036
  170    HE2  TYR  25           HE2      TYR  25  -5.437  -7.003   7.795
  171    HH   TYR  25           HH       TYR  25  -6.193  -5.540   9.498
  172    HA   PRO  26           HA       PRO  26   3.880  -9.507   7.760
  173   1HB   PRO  26          2HB       PRO  26   3.416 -12.227   7.908
  174   2HB   PRO  26          1HB       PRO  26   3.474 -11.196   9.341
  175   1HG   PRO  26          2HG       PRO  26   0.995 -12.041   7.736
  176   2HG   PRO  26          1HG       PRO  26   1.247 -12.177   9.476
  177   1HD   PRO  26          2HD       PRO  26  -0.107 -10.046   8.486
  178   2HD   PRO  26          1HD       PRO  26   1.050  -9.797   9.812
  179    H    SER  27           H        SER  27   1.301  -9.867   5.827
  180    HA   SER  27           HA       SER  27   3.016 -10.755   3.522
  181   1HB   SER  27          2HB       SER  27   0.917 -11.727   2.555
  182   2HB   SER  27          1HB       SER  27   1.399 -12.535   4.055
  183    HG   SER  27           HG       SER  27  -0.795 -10.948   3.589
  184    H    GLY  28           H        GLY  28   1.876  -8.122   4.728
  185   1HA   GLY  28          2HA       GLY  28   1.507  -6.032   3.797
  186   2HA   GLY  28          1HA       GLY  28   1.774  -6.780   2.228
  187    H    CYS  29           H        CYS  29   0.306  -6.532   1.005
  188    HA   CYS  29           HA       CYS  29  -2.093  -5.436   1.354
  189   1HB   CYS  29          2HB       CYS  29  -0.822  -6.308  -0.831
  190   2HB   CYS  29          1HB       CYS  29  -2.102  -7.497  -0.765
  191    HA   PRO  30           HA       PRO  30  -4.535  -8.827   3.127
  192   1HB   PRO  30          2HB       PRO  30  -6.623  -7.275   3.992
  193   2HB   PRO  30          1HB       PRO  30  -5.066  -7.291   4.829
  194   1HG   PRO  30          2HG       PRO  30  -6.125  -5.156   2.904
  195   2HG   PRO  30          1HG       PRO  30  -5.168  -5.002   4.363
  196   1HD   PRO  30          2HD       PRO  30  -4.228  -5.041   1.721
  197   2HD   PRO  30          1HD       PRO  30  -3.220  -5.231   3.181
  198    H    SER  31           H        SER  31  -7.019  -9.193   2.781
  199    HA   SER  31           HA       SER  31  -7.361  -9.343  -0.031
  200   1HB   SER  31          2HB       SER  31  -7.832 -11.356   1.684
  201   2HB   SER  31          1HB       SER  31  -9.292 -10.444   2.114
  202    HG   SER  31           HG       SER  31  -8.936 -11.996   0.003
  203    H    GLY  32           H        GLY  32  -8.801  -8.345  -0.986
  204   1HA   GLY  32          2HA       GLY  32 -10.774  -6.946  -1.365
  205   2HA   GLY  32          1HA       GLY  32 -10.685  -6.478   0.340
  206    H    TRP  33           H        TRP  33  -7.616  -6.619  -1.174
  207    HA   TRP  33           HA       TRP  33  -7.640  -3.752  -1.695
  208   1HB   TRP  33          2HB       TRP  33  -5.810  -5.618  -0.096
  209   2HB   TRP  33          1HB       TRP  33  -5.060  -4.242  -0.871
  210    HD1  TRP  33           HD1      TRP  33  -8.306  -4.781   1.393
  211    HE1  TRP  33           HE1      TRP  33  -8.444  -2.649   2.701
  212    HE3  TRP  33           HE3      TRP  33  -4.284  -2.375  -0.429
  213    HZ2  TRP  33           HZ2      TRP  33  -7.036  -0.119   2.989
  214    HZ3  TRP  33           HZ3      TRP  33  -3.692  -0.141   0.311
  215    HH2  TRP  33           HH2      TRP  33  -5.051   0.998   2.002
  216    H    HIS  34           H        HIS  34  -5.014  -3.986  -2.904
  217    HA   HIS  34           HA       HIS  34  -5.580  -5.836  -5.058
  218   1HB   HIS  34          2HB       HIS  34  -6.450  -3.577  -5.593
  219   2HB   HIS  34          1HB       HIS  34  -4.885  -2.872  -5.299
  220    HD1  HIS  34           HD1      HIS  34  -5.678  -2.149  -7.813
  221    HD2  HIS  34           HD2      HIS  34  -4.223  -5.932  -7.431
  222    HE1  HIS  34           HE1      HIS  34  -4.997  -2.892 -10.122
  223    H    ASN  35           H        ASN  35  -3.097  -4.050  -6.133
  224    HA   ASN  35           HA       ASN  35  -0.981  -4.807  -4.406
  225   1HB   ASN  35          2HB       ASN  35   0.044  -6.623  -5.956
  226   2HB   ASN  35          1HB       ASN  35  -1.423  -7.139  -5.154
  227   1HD2  ASN  35          2HD2      ASN  35  -1.671  -6.496  -9.183
  228   2HD2  ASN  35          1HD2      ASN  35  -0.554  -5.531  -8.338
  229    H    CYS  36           H        CYS  36   0.756  -3.628  -4.905
  230    HA   CYS  36           HA       CYS  36   1.038  -2.631  -7.713
  231   1HB   CYS  36          2HB       CYS  36   1.117  -0.332  -7.074
  232   2HB   CYS  36          1HB       CYS  36  -0.315  -0.993  -6.336
  233    H    LYS  37           H        LYS  37   2.404  -2.143  -4.521
  234    HA   LYS  37           HA       LYS  37   5.099  -2.124  -5.623
  235   1HB   LYS  37          2HB       LYS  37   4.023  -1.799  -2.821
  236   2HB   LYS  37          1HB       LYS  37   5.693  -1.673  -3.130
  237   1HG   LYS  37          2HG       LYS  37   3.473   0.138  -4.117
  238   2HG   LYS  37          1HG       LYS  37   4.745   0.577  -3.014
  239   1HD   LYS  37          2HD       LYS  37   5.075   0.000  -5.975
  240   2HD   LYS  37          1HD       LYS  37   5.292   1.523  -5.136
  241   1HE   LYS  37          2HE       LYS  37   7.201   0.634  -3.874
  242   2HE   LYS  37          1HE       LYS  37   7.037  -0.906  -4.720
  243   1HZ   LYS  37          3HZ       LYS  37   6.943   1.112  -6.642
  244   2HZ   LYS  37          2HZ       LYS  37   8.351   1.372  -5.697
  245   3HZ   LYS  37          1HZ       LYS  37   7.975  -0.091  -6.537
  246    H    ALA  38           H        ALA  38   4.375  -4.295  -6.275
  247    HA   ALA  38           HA       ALA  38   4.572  -6.499  -4.397
  248   1HB   ALA  38          1HB       ALA  38   3.390  -6.684  -6.607
  249   2HB   ALA  38          3HB       ALA  38   4.923  -6.424  -7.435
  250   3HB   ALA  38          2HB       ALA  38   4.677  -7.873  -6.479
  251    H    HIS  39           H        HIS  39   6.768  -4.479  -4.473
  252    HA   HIS  39           HA       HIS  39   9.112  -6.282  -4.755
  253   1HB   HIS  39          2HB       HIS  39   8.862  -3.311  -5.476
  254   2HB   HIS  39          1HB       HIS  39  10.410  -4.118  -5.323
  255    HD1  HIS  39           HD1      HIS  39  10.678  -6.175  -7.072
  256    HD2  HIS  39           HD2      HIS  39   7.621  -3.596  -7.928
  257    HE1  HIS  39           HE1      HIS  39  10.060  -6.570  -9.427
  258    H    GLY  40           H        GLY  40   8.343  -3.045  -3.435
  259   1HA   GLY  40          2HA       GLY  40   8.604  -3.855  -0.749
  260   2HA   GLY  40          1HA       GLY  40  10.103  -3.082  -1.306
  261    HA   PRO  41           HA       PRO  41  10.662  -1.241   0.169
  262   1HB   PRO  41          2HB       PRO  41  10.165  -0.237   2.622
  263   2HB   PRO  41          1HB       PRO  41  10.033   0.794   1.191
  264   1HG   PRO  41          2HG       PRO  41   7.774  -0.760   2.579
  265   2HG   PRO  41          1HG       PRO  41   7.819   0.969   2.230
  266   1HD   PRO  41          2HD       PRO  41   6.626  -0.823   0.528
  267   2HD   PRO  41          1HD       PRO  41   7.448   0.609  -0.142
  268    H    THR  42           H        THR  42  11.553  -2.240   2.338
  269    HA   THR  42           HA       THR  42  10.263  -4.923   2.543
  270    HB   THR  42           HB       THR  42  12.665  -4.954   1.932
  271    HG1  THR  42           HG1      THR  42  11.613  -5.973   4.246
  272   1HG2  THR  42          1HG2      THR  42  13.373  -2.776   3.127
  273   2HG2  THR  42          3HG2      THR  42  13.179  -3.630   4.653
  274   3HG2  THR  42          2HG2      THR  42  14.382  -4.154   3.498
  275    H    ILE  43           H        ILE  43  10.378  -2.065   4.210
  276    HA   ILE  43           HA       ILE  43  10.003  -3.323   6.893
  277    HB   ILE  43           HB       ILE  43  10.105  -0.354   6.091
  278   1HG1  ILE  43          2HG1      ILE  43  12.319  -2.124   7.302
  279   2HG1  ILE  43          1HG1      ILE  43  12.274  -1.640   5.619
  280   1HG2  ILE  43          1HG2      ILE  43   8.945  -0.861   8.249
  281   2HG2  ILE  43          3HG2      ILE  43  10.358  -1.742   8.809
  282   3HG2  ILE  43          2HG2      ILE  43  10.439  -0.008   8.553
  283   1HD1  ILE  43          1HD1      ILE  43  12.409   0.752   6.283
  284   2HD1  ILE  43          3HD1      ILE  43  12.462   0.280   7.974
  285   3HD1  ILE  43          2HD1      ILE  43  13.773  -0.161   6.902
  286    H    GLY  44           H        GLY  44   8.139  -4.328   6.058
  287   1HA   GLY  44          2HA       GLY  44   5.724  -4.394   6.382
  288   2HA   GLY  44          1HA       GLY  44   5.678  -2.625   6.174
  289    H    TRP  45           H        TRP  45   3.991  -3.681   4.444
  290    HA   TRP  45           HA       TRP  45   5.525  -3.984   1.868
  291   1HB   TRP  45          2HB       TRP  45   2.715  -4.923   2.353
  292   2HB   TRP  45          1HB       TRP  45   3.721  -5.296   0.979
  293    HD1  TRP  45           HD1      TRP  45   3.903  -5.997   4.878
  294    HE1  TRP  45           HE1      TRP  45   4.662  -8.377   5.013
  295    HE3  TRP  45           HE3      TRP  45   4.514  -7.045  -0.002
  296    HZ2  TRP  45           HZ2      TRP  45   5.441 -10.574   3.324
  297    HZ3  TRP  45           HZ3      TRP  45   5.269  -9.276  -0.751
  298    HH2  TRP  45           HH2      TRP  45   5.738 -11.043   0.914
  299    H    CYS  46           H        CYS  46   4.350  -3.044   0.001
  300    HA   CYS  46           HA       CYS  46   2.522  -0.830   0.870
  301   1HB   CYS  46          2HB       CYS  46   4.848  -0.919  -1.047
  302   2HB   CYS  46          1HB       CYS  46   3.604   0.267  -1.302
  303    H    CYS  47           H        CYS  47   0.632  -0.804  -0.100
  304    HA   CYS  47           HA       CYS  47   0.293  -2.077  -2.723
  305   1HB   CYS  47          2HB       CYS  47   0.041  -3.844  -0.866
  306   2HB   CYS  47          1HB       CYS  47  -1.378  -2.965  -0.341
  307    H    LYS  48           H        LYS  48  -2.448  -2.069  -2.828
  308    HA   LYS  48           HA       LYS  48  -3.398   0.494  -1.739
  309   1HB   LYS  48          2HB       LYS  48  -3.957   1.395  -4.025
  310   2HB   LYS  48          1HB       LYS  48  -2.223   1.206  -3.867
  311   1HG   LYS  48          2HG       LYS  48  -2.313  -0.910  -5.163
  312   2HG   LYS  48          1HG       LYS  48  -4.064  -0.756  -5.289
  313   1HD   LYS  48          2HD       LYS  48  -3.898   1.340  -6.487
  314   2HD   LYS  48          1HD       LYS  48  -2.153   1.420  -6.234
  315   1HE   LYS  48          2HE       LYS  48  -1.823  -0.552  -7.688
  316   2HE   LYS  48          1HE       LYS  48  -3.560  -0.742  -7.854
  317   1HZ   LYS  48          3HZ       LYS  48  -2.947   1.896  -8.524
  318   2HZ   LYS  48          2HZ       LYS  48  -1.789   0.988  -9.275
  319   3HZ   LYS  48          1HZ       LYS  48  -3.451   0.679  -9.603
  320    H    GLN  49           H        GLN  49  -5.868   0.546  -2.374
  321    HA   GLN  49           HA       GLN  49  -6.730  -2.059  -1.947
  322   1HB   GLN  49          2HB       GLN  49  -7.615   0.533  -1.333
  323   2HB   GLN  49          1HB       GLN  49  -8.649   0.119  -2.710
  324   1HG   GLN  49          2HG       GLN  49  -8.915  -2.057  -1.735
  325   2HG   GLN  49          1HG       GLN  49  -8.091  -1.500  -0.281
  326   1HE2  GLN  49          2HE2      GLN  49 -11.856  -1.195  -0.018
  327   2HE2  GLN  49          1HE2      GLN  49 -10.898  -2.446  -0.681
   
  No H/Q in entry =         327
  Start of MODEL          15
 Raw file had  333 H/Q atoms
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1  -3.596   4.719   7.806
    2   2H    GLY   1          3H        GLY   1  -4.660   3.480   7.363
    3   3H    GLY   1          2H        GLY   1  -4.077   3.576   8.962
    4   1HA   GLY   1          2HA       GLY   1  -2.275   2.328   8.414
    5   2HA   GLY   1          1HA       GLY   1  -2.901   2.233   6.750
    6    H    VAL   2           H        VAL   2  -0.166   2.535   6.803
    7    HA   VAL   2           HA       VAL   2   0.356   5.466   6.778
    8    HB   VAL   2           HB       VAL   2   2.201   3.255   5.842
    9   1HG1  VAL   2          3HG1      VAL   2   2.848   6.049   6.869
   10   2HG1  VAL   2          2HG1      VAL   2   4.030   4.845   6.388
   11   3HG1  VAL   2          1HG1      VAL   2   2.918   5.491   5.207
   12   1HG2  VAL   2          3HG2      VAL   2   2.014   4.409   8.689
   13   2HG2  VAL   2          2HG2      VAL   2   1.570   2.763   8.270
   14   3HG2  VAL   2          1HG2      VAL   2   3.240   3.266   8.173
   15    H    SER   3           H        SER   3   0.321   6.481   4.833
   16    HA   SER   3           HA       SER   3  -0.831   5.038   2.554
   17   1HB   SER   3          2HB       SER   3   0.308   7.762   2.318
   18   2HB   SER   3          1HB       SER   3  -1.189   7.142   1.593
   19    HG   SER   3           HG       SER   3  -1.183   8.581   3.700
   20    H    CYS   4           H        CYS   4   0.297   4.899   0.501
   21    HA   CYS   4           HA       CYS   4   3.154   5.503   0.363
   22   1HB   CYS   4          2HB       CYS   4   3.112   3.335   1.637
   23   2HB   CYS   4          1HB       CYS   4   2.250   2.602   0.300
   24    H    LEU   5           H        LEU   5   3.684   5.855  -1.745
   25    HA   LEU   5           HA       LEU   5   1.733   5.804  -3.789
   26   1HB   LEU   5          2HB       LEU   5   3.699   6.284  -5.216
   27   2HB   LEU   5          1HB       LEU   5   3.398   7.403  -3.955
   28    HG   LEU   5           HG       LEU   5   5.206   5.825  -2.720
   29   1HD1  LEU   5          1HD1      LEU   5   5.826   5.350  -5.643
   30   2HD1  LEU   5          3HD1      LEU   5   6.841   4.924  -4.276
   31   3HD1  LEU   5          2HD1      LEU   5   5.291   4.135  -4.493
   32   1HD2  LEU   5          1HD2      LEU   5   5.862   7.847  -4.901
   33   2HD2  LEU   5          3HD2      LEU   5   5.505   8.213  -3.224
   34   3HD2  LEU   5          2HD2      LEU   5   6.968   7.341  -3.643
   35    H    CYS   6           H        CYS   6   2.408   4.927  -5.931
   36    HA   CYS   6           HA       CYS   6   2.628   1.953  -5.719
   37   1HB   CYS   6          2HB       CYS   6   1.370   3.787  -7.734
   38   2HB   CYS   6          1HB       CYS   6   1.694   2.123  -8.139
   39    H    ASP   7           H        ASP   7   3.463   0.981  -8.047
   40    HA   ASP   7           HA       ASP   7   6.269   1.561  -8.047
   41   1HB   ASP   7          2HB       ASP   7   6.415  -0.013  -9.894
   42   2HB   ASP   7          1HB       ASP   7   5.263  -0.667  -8.735
   43    H    SER   8           H        SER   8   3.757   2.205 -10.194
   44    HA   SER   8           HA       SER   8   5.229   3.694 -12.190
   45   1HB   SER   8          2HB       SER   8   2.233   3.743 -11.633
   46   2HB   SER   8          1HB       SER   8   3.024   4.212 -13.139
   47    HG   SER   8           HG       SER   8   3.772   1.649 -12.275
   48    H    ASP   9           H        ASP   9   4.610   4.572  -9.127
   49    HA   ASP   9           HA       ASP   9   3.955   7.394  -9.681
   50   1HB   ASP   9          2HB       ASP   9   4.376   5.796  -7.143
   51   2HB   ASP   9          1HB       ASP   9   4.174   7.527  -7.110
   52    H    GLY  10           H        GLY  10   5.333   8.693  -7.793
   53   1HA   GLY  10          2HA       GLY  10   8.007   8.848  -9.006
   54   2HA   GLY  10          1HA       GLY  10   7.306   9.999  -7.869
   55    HA   PRO  11           HA       PRO  11  10.580   7.201  -6.084
   56   1HB   PRO  11          2HB       PRO  11  12.125   9.128  -4.865
   57   2HB   PRO  11          1HB       PRO  11  12.275   8.743  -6.583
   58   1HG   PRO  11          2HG       PRO  11  10.525  10.920  -5.295
   59   2HG   PRO  11          1HG       PRO  11  11.729  11.152  -6.567
   60   1HD   PRO  11          2HD       PRO  11   9.141  10.877  -7.206
   61   2HD   PRO  11          1HD       PRO  11  10.321   9.986  -8.196
   62    H    SER  12           H        SER  12  10.918   6.501  -3.838
   63    HA   SER  12           HA       SER  12   8.630   7.250  -2.194
   64   1HB   SER  12          2HB       SER  12   9.781   5.364  -0.757
   65   2HB   SER  12          1HB       SER  12   8.868   4.992  -2.232
   66    HG   SER  12           HG       SER  12  11.650   5.030  -1.802
   67    H    VAL  13           H        VAL  13   8.986   9.074  -1.483
   68    HA   VAL  13           HA       VAL  13  10.502   9.506   0.959
   69    HB   VAL  13           HB       VAL  13  12.180  10.317  -0.612
   70   1HG1  VAL  13          1HG1      VAL  13  10.715  10.440  -2.670
   71   2HG1  VAL  13          3HG1      VAL  13   9.937  11.874  -2.021
   72   3HG1  VAL  13          2HG1      VAL  13  11.634  11.922  -2.473
   73   1HG2  VAL  13          3HG2      VAL  13  11.805  11.884   1.245
   74   2HG2  VAL  13          2HG2      VAL  13  12.271  12.751  -0.201
   75   3HG2  VAL  13          1HG2      VAL  13  10.598  12.755   0.306
   76    H    ARG  14           H        ARG  14   9.474  11.483   1.965
   77    HA   ARG  14           HA       ARG  14   6.621  11.440   1.293
   78   1HB   ARG  14          2HB       ARG  14   7.882  12.114   3.663
   79   2HB   ARG  14          1HB       ARG  14   7.626  13.723   3.009
   80   1HG   ARG  14          2HG       ARG  14   5.146  12.871   2.517
   81   2HG   ARG  14          1HG       ARG  14   5.567  11.554   3.568
   82   1HD   ARG  14          2HD       ARG  14   5.884  13.062   5.462
   83   2HD   ARG  14          1HD       ARG  14   5.683  14.476   4.433
   84    HE   ARG  14           HE       ARG  14   3.513  12.514   5.105
   85   1HH1  ARG  14          1HH2      ARG  14   3.084  13.724   2.469
   86   2HH1  ARG  14          2HH2      ARG  14   2.196  15.160   2.814
   87   1HH2  ARG  14          2HH1      ARG  14   3.142  15.043   6.232
   88   2HH2  ARG  14          1HH1      ARG  14   2.219  15.969   5.118
   89    H    GLY  15           H        GLY  15   5.673  13.995   1.261
   90   1HA   GLY  15          2HA       GLY  15   5.626  16.034   0.024
   91   2HA   GLY  15          1HA       GLY  15   7.255  15.673  -0.553
   92    H    ASN  16           H        ASN  16   6.773  13.112  -1.572
   93    HA   ASN  16           HA       ASN  16   5.553  13.809  -4.111
   94   1HB   ASN  16          2HB       ASN  16   7.719  12.516  -3.770
   95   2HB   ASN  16          1HB       ASN  16   6.757  11.154  -3.208
   96   1HD2  ASN  16          2HD2      ASN  16   5.642  11.707  -6.964
   97   2HD2  ASN  16          1HD2      ASN  16   5.064  12.784  -5.782
   98    H    THR  17           H        THR  17   4.569  10.999  -4.758
   99    HA   THR  17           HA       THR  17   1.879  11.370  -3.801
  100    HB   THR  17           HB       THR  17   1.515   9.322  -5.391
  101    HG1  THR  17           HG1      THR  17   3.290   8.363  -5.793
  102   1HG2  THR  17          1HG2      THR  17   3.133  11.654  -6.598
  103   2HG2  THR  17          3HG2      THR  17   2.072  10.554  -7.452
  104   3HG2  THR  17          2HG2      THR  17   1.399  11.712  -6.324
  105    H    LEU  18           H        LEU  18   0.583   9.750  -2.936
  106    HA   LEU  18           HA       LEU  18   1.776   7.437  -1.607
  107   1HB   LEU  18          2HB       LEU  18   1.017   8.129   0.573
  108   2HB   LEU  18          1HB       LEU  18   2.291   9.133  -0.035
  109    HG   LEU  18           HG       LEU  18  -0.643   9.933  -0.183
  110   1HD1  LEU  18          2HD1      LEU  18   1.512  10.647   1.865
  111   2HD1  LEU  18          1HD1      LEU  18  -0.096  11.375   1.831
  112   3HD1  LEU  18          3HD1      LEU  18   0.086   9.678   2.189
  113   1HD2  LEU  18          3HD2      LEU  18   1.926  11.620  -0.384
  114   2HD2  LEU  18          2HD2      LEU  18   0.851  11.295  -1.718
  115   3HD2  LEU  18          1HD2      LEU  18   0.297  12.280  -0.403
  116    H    SER  19           H        SER  19  -0.036   7.470  -3.707
  117    HA   SER  19           HA       SER  19  -2.771   7.417  -2.952
  118   1HB   SER  19          2HB       SER  19  -1.327   6.039  -5.250
  119   2HB   SER  19          1HB       SER  19  -3.086   6.296  -5.129
  120    HG   SER  19           HG       SER  19  -2.662   8.235  -5.797
  121    H    GLY  20           H        GLY  20  -0.416   4.884  -2.659
  122   1HA   GLY  20          2HA       GLY  20  -2.461   2.914  -2.235
  123   2HA   GLY  20          1HA       GLY  20  -0.724   2.608  -2.314
  124    H    THR  21           H        THR  21  -1.117   1.399  -0.199
  125    HA   THR  21           HA       THR  21  -0.559   3.144   1.970
  126    HB   THR  21           HB       THR  21  -2.767   1.041   2.199
  127    HG1  THR  21           HG1      THR  21  -2.883   3.593   1.121
  128   1HG2  THR  21          3HG2      THR  21  -1.764   1.910   4.347
  129   2HG2  THR  21          2HG2      THR  21  -2.260   3.534   3.873
  130   3HG2  THR  21          1HG2      THR  21  -3.471   2.296   4.174
  131    H    LEU  22           H        LEU  22   0.484   2.024   3.406
  132    HA   LEU  22           HA       LEU  22   1.631  -0.550   2.531
  133   1HB   LEU  22          2HB       LEU  22   3.216   1.081   2.847
  134   2HB   LEU  22          1HB       LEU  22   2.658   1.603   4.435
  135    HG   LEU  22           HG       LEU  22   3.385  -1.247   4.542
  136   1HD1  LEU  22          2HD1      LEU  22   4.690  -0.751   2.451
  137   2HD1  LEU  22          1HD1      LEU  22   5.524   0.528   3.294
  138   3HD1  LEU  22          3HD1      LEU  22   5.751  -1.135   3.794
  139   1HD2  LEU  22          1HD2      LEU  22   3.538   0.465   6.390
  140   2HD2  LEU  22          3HD2      LEU  22   5.035  -0.430   6.192
  141   3HD2  LEU  22          2HD2      LEU  22   4.896   1.206   5.569
  142    H    TRP  23           H        TRP  23   1.485  -2.183   3.622
  143    HA   TRP  23           HA       TRP  23  -0.197  -2.244   6.095
  144   1HB   TRP  23          2HB       TRP  23  -0.011  -4.093   3.668
  145   2HB   TRP  23          1HB       TRP  23  -0.765  -4.649   5.167
  146    HD1  TRP  23           HD1      TRP  23  -1.438  -2.113   2.204
  147    HE1  TRP  23           HE1      TRP  23  -3.702  -1.185   2.626
  148    HE3  TRP  23           HE3      TRP  23  -2.407  -4.065   6.804
  149    HZ2  TRP  23           HZ2      TRP  23  -5.752  -1.159   4.549
  150    HZ3  TRP  23           HZ3      TRP  23  -4.568  -3.507   7.907
  151    HH2  TRP  23           HH2      TRP  23  -6.226  -2.089   6.794
  152    H    LEU  24           H        LEU  24   0.734  -2.942   7.787
  153    HA   LEU  24           HA       LEU  24   3.521  -3.850   7.761
  154   1HB   LEU  24          2HB       LEU  24   1.907  -3.617  10.313
  155   2HB   LEU  24          1HB       LEU  24   3.579  -3.209  10.029
  156    HG   LEU  24           HG       LEU  24   1.247  -1.640   8.899
  157   1HD1  LEU  24          3HD1      LEU  24   3.005  -1.010  11.320
  158   2HD1  LEU  24          2HD1      LEU  24   1.802   0.072  10.646
  159   3HD1  LEU  24          1HD1      LEU  24   1.304  -1.441  11.376
  160   1HD2  LEU  24          1HD2      LEU  24   4.211  -0.978   9.033
  161   2HD2  LEU  24          3HD2      LEU  24   3.318  -1.404   7.586
  162   3HD2  LEU  24          2HD2      LEU  24   2.959   0.090   8.429
  163    H    TYR  25           H        TYR  25   0.535  -5.018   7.719
  164    HA   TYR  25           HA       TYR  25   0.471  -7.333   9.345
  165   1HB   TYR  25          2HB       TYR  25  -0.818  -6.742   6.633
  166   2HB   TYR  25          1HB       TYR  25  -1.273  -8.123   7.548
  167    HD1  TYR  25           HD1      TYR  25  -0.618  -5.343   9.804
  168    HD2  TYR  25           HD2      TYR  25  -3.530  -7.121   7.237
  169    HE1  TYR  25           HE1      TYR  25  -2.384  -4.148  10.963
  170    HE2  TYR  25           HE2      TYR  25  -5.295  -5.923   8.412
  171    HH   TYR  25           HH       TYR  25  -4.893  -4.491  11.387
  172    HA   PRO  26           HA       PRO  26   3.648  -9.582   7.848
  173   1HB   PRO  26          2HB       PRO  26   3.007 -12.218   8.298
  174   2HB   PRO  26          1HB       PRO  26   3.233 -11.072   9.621
  175   1HG   PRO  26          2HG       PRO  26   0.594 -11.881   8.269
  176   2HG   PRO  26          1HG       PRO  26   0.964 -11.869   9.995
  177   1HD   PRO  26          2HD       PRO  26  -0.316  -9.744   8.863
  178   2HD   PRO  26          1HD       PRO  26   0.919  -9.463  10.109
  179    H    SER  27           H        SER  27   0.902  -9.824   6.168
  180    HA   SER  27           HA       SER  27   2.266 -11.076   3.807
  181   1HB   SER  27          2HB       SER  27  -0.001 -11.861   3.148
  182   2HB   SER  27          1HB       SER  27   0.557 -12.618   4.653
  183    HG   SER  27           HG       SER  27  -1.402 -10.651   4.291
  184    H    GLY  28           H        GLY  28   1.640  -8.293   4.912
  185   1HA   GLY  28          2HA       GLY  28   1.295  -6.209   4.005
  186   2HA   GLY  28          1HA       GLY  28   1.441  -6.997   2.449
  187    H    CYS  29           H        CYS  29  -0.001  -6.707   1.256
  188    HA   CYS  29           HA       CYS  29  -2.242  -5.307   1.488
  189   1HB   CYS  29          2HB       CYS  29  -0.982  -6.443  -0.575
  190   2HB   CYS  29          1HB       CYS  29  -2.391  -7.465  -0.517
  191    HA   PRO  30           HA       PRO  30  -4.895  -8.219   3.732
  192   1HB   PRO  30          2HB       PRO  30  -6.724  -6.397   4.581
  193   2HB   PRO  30          1HB       PRO  30  -5.126  -6.582   5.306
  194   1HG   PRO  30          2HG       PRO  30  -6.022  -4.402   3.352
  195   2HG   PRO  30          1HG       PRO  30  -4.917  -4.357   4.701
  196   1HD   PRO  30          2HD       PRO  30  -4.265  -4.666   1.985
  197   2HD   PRO  30          1HD       PRO  30  -3.156  -4.955   3.368
  198    H    SER  31           H        SER  31  -6.516  -9.314   3.007
  199    HA   SER  31           HA       SER  31  -7.517  -9.267   0.438
  200   1HB   SER  31          2HB       SER  31  -7.900 -11.318   1.991
  201   2HB   SER  31          1HB       SER  31  -9.119 -10.371   2.863
  202    HG   SER  31           HG       SER  31 -10.467 -10.847   1.302
  203    H    GLY  32           H        GLY  32  -8.356  -7.812  -0.424
  204   1HA   GLY  32          2HA       GLY  32 -10.656  -6.712  -0.843
  205   2HA   GLY  32          1HA       GLY  32 -10.369  -5.997   0.760
  206    H    TRP  33           H        TRP  33  -7.364  -6.458  -0.593
  207    HA   TRP  33           HA       TRP  33  -7.228  -3.772  -1.762
  208   1HB   TRP  33          2HB       TRP  33  -5.411  -5.415   0.094
  209   2HB   TRP  33          1HB       TRP  33  -4.788  -4.037  -0.779
  210    HD1  TRP  33           HD1      TRP  33  -7.890  -4.662   1.576
  211    HE1  TRP  33           HE1      TRP  33  -8.147  -2.445   2.728
  212    HE3  TRP  33           HE3      TRP  33  -4.168  -2.166  -0.606
  213    HZ2  TRP  33           HZ2      TRP  33  -6.880   0.225   2.730
  214    HZ3  TRP  33           HZ3      TRP  33  -3.631   0.170  -0.060
  215    HH2  TRP  33           HH2      TRP  33  -4.953   1.369   1.573
  216    H    HIS  34           H        HIS  34  -4.548  -4.346  -2.694
  217    HA   HIS  34           HA       HIS  34  -4.795  -6.636  -4.396
  218   1HB   HIS  34          2HB       HIS  34  -6.092  -4.813  -5.580
  219   2HB   HIS  34          1HB       HIS  34  -4.629  -3.839  -5.656
  220    HD1  HIS  34           HD1      HIS  34  -4.012  -4.180  -8.174
  221    HD2  HIS  34           HD2      HIS  34  -4.955  -7.717  -6.374
  222    HE1  HIS  34           HE1      HIS  34  -3.540  -5.937  -9.828
  223    H    ASN  35           H        ASN  35  -2.823  -4.351  -5.790
  224    HA   ASN  35           HA       ASN  35  -0.458  -4.715  -4.165
  225   1HB   ASN  35          2HB       ASN  35   0.775  -6.360  -5.352
  226   2HB   ASN  35          1HB       ASN  35  -0.818  -7.062  -5.416
  227   1HD2  ASN  35          2HD2      ASN  35  -1.077  -6.518  -8.947
  228   2HD2  ASN  35          1HD2      ASN  35  -2.052  -6.702  -7.560
  229    H    CYS  36           H        CYS  36   1.263  -3.473  -4.881
  230    HA   CYS  36           HA       CYS  36   1.068  -2.097  -7.500
  231   1HB   CYS  36          2HB       CYS  36   0.044  -0.871  -5.085
  232   2HB   CYS  36          1HB       CYS  36   1.497  -0.007  -5.513
  233    H    LYS  37           H        LYS  37   2.758  -1.677  -4.381
  234    HA   LYS  37           HA       LYS  37   5.272  -1.380  -5.843
  235   1HB   LYS  37          2HB       LYS  37   4.733  -1.404  -2.852
  236   2HB   LYS  37          1HB       LYS  37   6.235  -0.949  -3.545
  237   1HG   LYS  37          2HG       LYS  37   3.580   0.534  -3.878
  238   2HG   LYS  37          1HG       LYS  37   4.933   1.067  -2.913
  239   1HD   LYS  37          2HD       LYS  37   5.068   0.735  -5.893
  240   2HD   LYS  37          1HD       LYS  37   4.776   2.220  -4.985
  241   1HE   LYS  37          2HE       LYS  37   6.947   2.007  -3.872
  242   2HE   LYS  37          1HE       LYS  37   7.277   0.581  -4.832
  243   1HZ   LYS  37          3HZ       LYS  37   6.413   2.724  -6.524
  244   2HZ   LYS  37          2HZ       LYS  37   7.637   3.270  -5.559
  245   3HZ   LYS  37          1HZ       LYS  37   7.904   1.903  -6.537
  246    H    ALA  38           H        ALA  38   4.547  -3.684  -6.446
  247    HA   ALA  38           HA       ALA  38   4.882  -5.902  -4.666
  248   1HB   ALA  38          1HB       ALA  38   5.215  -5.754  -7.685
  249   2HB   ALA  38          3HB       ALA  38   5.037  -7.247  -6.773
  250   3HB   ALA  38          2HB       ALA  38   3.721  -6.079  -6.810
  251    H    HIS  39           H        HIS  39   7.215  -3.938  -4.883
  252    HA   HIS  39           HA       HIS  39   9.391  -5.965  -4.909
  253   1HB   HIS  39          2HB       HIS  39  10.863  -4.247  -5.931
  254   2HB   HIS  39          1HB       HIS  39   9.470  -4.611  -6.938
  255    HD1  HIS  39           HD1      HIS  39  10.941  -1.836  -5.053
  256    HD2  HIS  39           HD2      HIS  39   7.481  -2.540  -7.097
  257    HE1  HIS  39           HE1      HIS  39   9.876   0.351  -5.363
  258    H    GLY  40           H        GLY  40   8.287  -2.880  -3.542
  259   1HA   GLY  40          2HA       GLY  40   9.772  -3.543  -1.110
  260   2HA   GLY  40          1HA       GLY  40  10.290  -2.064  -1.936
  261    HA   PRO  41           HA       PRO  41  10.686  -1.366   0.360
  262   1HB   PRO  41          2HB       PRO  41  10.272  -0.952   2.986
  263   2HB   PRO  41          1HB       PRO  41   9.984   0.324   1.801
  264   1HG   PRO  41          2HG       PRO  41   7.934  -1.587   3.012
  265   2HG   PRO  41          1HG       PRO  41   7.847   0.172   2.892
  266   1HD   PRO  41          2HD       PRO  41   6.644  -1.457   1.022
  267   2HD   PRO  41          1HD       PRO  41   7.325   0.113   0.567
  268    H    THR  42           H        THR  42  11.930  -2.517   2.160
  269    HA   THR  42           HA       THR  42  11.217  -5.383   1.963
  270    HB   THR  42           HB       THR  42  13.504  -4.654   1.214
  271    HG1  THR  42           HG1      THR  42  13.236  -6.270   3.516
  272   1HG2  THR  42          1HG2      THR  42  13.978  -3.950   4.165
  273   2HG2  THR  42          3HG2      THR  42  15.171  -3.905   2.883
  274   3HG2  THR  42          2HG2      THR  42  13.862  -2.740   2.897
  275    H    ILE  43           H        ILE  43  10.035  -3.382   3.940
  276    HA   ILE  43           HA       ILE  43  10.468  -5.143   6.347
  277    HB   ILE  43           HB       ILE  43  10.270  -3.100   7.821
  278   1HG1  ILE  43          2HG1      ILE  43  10.554  -1.561   5.194
  279   2HG1  ILE  43          1HG1      ILE  43   9.133  -1.553   6.224
  280   1HG2  ILE  43          3HG2      ILE  43  12.466  -4.112   7.245
  281   2HG2  ILE  43          2HG2      ILE  43  12.594  -3.098   5.823
  282   3HG2  ILE  43          1HG2      ILE  43  12.649  -2.387   7.425
  283   1HD1  ILE  43          2HD1      ILE  43  10.500  -0.530   8.067
  284   2HD1  ILE  43          1HD1      ILE  43  11.891  -0.483   6.994
  285   3HD1  ILE  43          3HD1      ILE  43  10.469   0.467   6.625
  286    H    GLY  44           H        GLY  44   8.236  -2.927   4.791
  287   1HA   GLY  44          2HA       GLY  44   5.915  -4.340   6.052
  288   2HA   GLY  44          1HA       GLY  44   5.917  -2.569   5.867
  289    H    TRP  45           H        TRP  45   3.989  -4.076   4.370
  290    HA   TRP  45           HA       TRP  45   5.242  -4.320   1.657
  291   1HB   TRP  45          2HB       TRP  45   2.424  -5.034   2.404
  292   2HB   TRP  45          1HB       TRP  45   3.324  -5.577   1.018
  293    HD1  TRP  45           HD1      TRP  45   3.873  -6.006   4.963
  294    HE1  TRP  45           HE1      TRP  45   4.347  -8.434   5.249
  295    HE3  TRP  45           HE3      TRP  45   3.688  -7.529   0.163
  296    HZ2  TRP  45           HZ2      TRP  45   4.612 -10.873   3.686
  297    HZ3  TRP  45           HZ3      TRP  45   4.051  -9.898  -0.436
  298    HH2  TRP  45           HH2      TRP  45   4.519 -11.561   1.328
  299    H    CYS  46           H        CYS  46   4.764  -2.734   0.039
  300    HA   CYS  46           HA       CYS  46   2.770  -0.646   0.819
  301   1HB   CYS  46          2HB       CYS  46   5.223  -0.754  -0.902
  302   2HB   CYS  46          1HB       CYS  46   3.968   0.344  -1.384
  303    H    CYS  47           H        CYS  47   0.792  -1.062   0.113
  304    HA   CYS  47           HA       CYS  47   0.429  -2.158  -2.628
  305   1HB   CYS  47          2HB       CYS  47   0.074  -3.738  -0.614
  306   2HB   CYS  47          1HB       CYS  47  -1.352  -2.783  -0.279
  307    H    LYS  48           H        LYS  48  -2.253  -2.120  -2.802
  308    HA   LYS  48           HA       LYS  48  -3.270   0.555  -2.096
  309   1HB   LYS  48          2HB       LYS  48  -3.655   1.237  -4.463
  310   2HB   LYS  48          1HB       LYS  48  -1.957   0.942  -4.240
  311   1HG   LYS  48          2HG       LYS  48  -2.392  -0.122  -6.301
  312   2HG   LYS  48          1HG       LYS  48  -2.338  -1.445  -5.180
  313   1HD   LYS  48          2HD       LYS  48  -4.165  -1.837  -6.681
  314   2HD   LYS  48          1HD       LYS  48  -4.915  -1.450  -5.171
  315   1HE   LYS  48          2HE       LYS  48  -5.147   0.955  -6.005
  316   2HE   LYS  48          1HE       LYS  48  -4.545   0.419  -7.562
  317   1HZ   LYS  48          2HZ       LYS  48  -6.688  -1.254  -6.612
  318   2HZ   LYS  48          1HZ       LYS  48  -7.126   0.301  -6.523
  319   3HZ   LYS  48          3HZ       LYS  48  -6.660  -0.319  -8.051
  320    H    GLN  49           H        GLN  49  -5.689   0.653  -2.794
  321    HA   GLN  49           HA       GLN  49  -6.758  -1.979  -2.621
  322   1HB   GLN  49          2HB       GLN  49  -7.166   0.451  -1.197
  323   2HB   GLN  49          1HB       GLN  49  -8.436   0.524  -2.427
  324   1HG   GLN  49          2HG       GLN  49  -8.714  -1.902  -1.949
  325   2HG   GLN  49          1HG       GLN  49  -7.750  -1.571  -0.512
  326   1HE2  GLN  49          2HE2      GLN  49 -11.260  -1.511   0.513
  327   2HE2  GLN  49          1HE2      GLN  49 -10.224  -2.661  -0.214
   
  No H/Q in entry =         327
  Start of MODEL          16
 Raw file had  333 H/Q atoms
  Start of MODEL   16
    1   1H    GLY   1          3H        GLY   1  -1.301   4.412  10.591
    2   2H    GLY   1          2H        GLY   1  -2.845   3.693  10.572
    3   3H    GLY   1          1H        GLY   1  -1.515   2.842  11.201
    4   1HA   GLY   1          2HA       GLY   1  -1.045   2.007   9.189
    5   2HA   GLY   1          1HA       GLY   1  -2.426   2.903   8.518
    6    H    VAL   2           H        VAL   2  -0.454   2.933   6.735
    7    HA   VAL   2           HA       VAL   2   0.632   5.661   6.893
    8    HB   VAL   2           HB       VAL   2   2.427   3.326   6.133
    9   1HG1  VAL   2          1HG1      VAL   2   3.136   5.488   5.205
   10   2HG1  VAL   2          3HG1      VAL   2   3.132   6.212   6.810
   11   3HG1  VAL   2          2HG1      VAL   2   4.275   4.944   6.410
   12   1HG2  VAL   2          1HG2      VAL   2   2.346   4.692   8.854
   13   2HG2  VAL   2          3HG2      VAL   2   1.964   3.007   8.530
   14   3HG2  VAL   2          2HG2      VAL   2   3.597   3.584   8.320
   15    H    SER   3           H        SER   3   0.867   6.530   4.808
   16    HA   SER   3           HA       SER   3  -0.479   5.104   2.641
   17   1HB   SER   3          2HB       SER   3   0.834   7.861   2.539
   18   2HB   SER   3          1HB       SER   3  -0.364   7.196   1.421
   19    HG   SER   3           HG       SER   3  -0.833   8.386   3.739
   20    H    CYS   4           H        CYS   4   0.702   5.287   0.406
   21    HA   CYS   4           HA       CYS   4   3.637   5.213   0.469
   22   1HB   CYS   4          2HB       CYS   4   2.828   2.821   1.092
   23   2HB   CYS   4          1HB       CYS   4   2.152   2.745  -0.523
   24    H    LEU   5           H        LEU   5   4.417   4.922  -1.877
   25    HA   LEU   5           HA       LEU   5   2.466   6.119  -3.762
   26   1HB   LEU   5          2HB       LEU   5   4.373   7.597  -3.637
   27   2HB   LEU   5          1HB       LEU   5   5.481   6.270  -3.332
   28    HG   LEU   5           HG       LEU   5   5.014   5.484  -5.695
   29   1HD1  LEU   5          2HD1      LEU   5   2.940   6.907  -6.016
   30   2HD1  LEU   5          1HD1      LEU   5   3.939   8.323  -6.030
   31   3HD1  LEU   5          3HD1      LEU   5   4.112   7.145  -7.305
   32   1HD2  LEU   5          2HD2      LEU   5   6.411   8.128  -5.397
   33   2HD2  LEU   5          1HD2      LEU   5   7.106   6.534  -5.179
   34   3HD2  LEU   5          3HD2      LEU   5   6.532   7.033  -6.761
   35    H    CYS   6           H        CYS   6   1.812   4.705  -5.508
   36    HA   CYS   6           HA       CYS   6   3.184   2.056  -5.437
   37   1HB   CYS   6          2HB       CYS   6   0.991   2.999  -7.313
   38   2HB   CYS   6          1HB       CYS   6   1.645   1.400  -7.198
   39    H    ASP   7           H        ASP   7   4.080   1.157  -7.397
   40    HA   ASP   7           HA       ASP   7   5.949   2.918  -8.692
   41   1HB   ASP   7          2HB       ASP   7   5.134   0.032  -9.196
   42   2HB   ASP   7          1HB       ASP   7   6.455   0.840 -10.010
   43    H    SER   8           H        SER   8   2.863   2.455  -9.320
   44    HA   SER   8           HA       SER   8   3.051   3.304 -12.182
   45   1HB   SER   8          2HB       SER   8   1.845   1.042 -11.454
   46   2HB   SER   8          1HB       SER   8   0.539   2.115 -10.923
   47    HG   SER   8           HG       SER   8   1.442   1.590 -13.504
   48    H    ASP   9           H        ASP   9   2.779   4.603  -9.231
   49    HA   ASP   9           HA       ASP   9   0.620   6.551  -9.855
   50   1HB   ASP   9          2HB       ASP   9   2.079   5.757  -7.324
   51   2HB   ASP   9          1HB       ASP   9   1.240   7.294  -7.381
   52    H    GLY  10           H        GLY  10   3.297   6.531 -11.139
   53   1HA   GLY  10          2HA       GLY  10   3.858   8.994 -11.775
   54   2HA   GLY  10          1HA       GLY  10   4.546   8.995 -10.143
   55    HA   PRO  11           HA       PRO  11   8.002   7.266 -12.680
   56   1HB   PRO  11          2HB       PRO  11   9.464   9.471 -13.263
   57   2HB   PRO  11          1HB       PRO  11   8.142   8.976 -14.328
   58   1HG   PRO  11          2HG       PRO  11   8.043  11.026 -12.037
   59   2HG   PRO  11          1HG       PRO  11   7.554  11.279 -13.716
   60   1HD   PRO  11          2HD       PRO  11   5.719  10.572 -11.780
   61   2HD   PRO  11          1HD       PRO  11   5.556   9.959 -13.439
   62    H    SER  12           H        SER  12  10.481   7.984 -11.844
   63    HA   SER  12           HA       SER  12  10.181   7.898  -8.931
   64   1HB   SER  12          2HB       SER  12  12.846   7.546  -9.376
   65   2HB   SER  12          1HB       SER  12  11.700   6.229  -9.677
   66    HG   SER  12           HG       SER  12  13.223   7.369 -11.476
   67    H    VAL  13           H        VAL  13  11.475   9.163  -7.617
   68    HA   VAL  13           HA       VAL  13  12.721  10.987  -6.837
   69    HB   VAL  13           HB       VAL  13  12.059  12.317  -9.512
   70   1HG1  VAL  13          3HG1      VAL  13  13.913  13.291  -7.288
   71   2HG1  VAL  13          2HG1      VAL  13  13.719  14.051  -8.860
   72   3HG1  VAL  13          1HG1      VAL  13  12.372  14.013  -7.749
   73   1HG2  VAL  13          2HG2      VAL  13  14.721  11.156  -8.502
   74   2HG2  VAL  13          1HG2      VAL  13  13.733  10.459  -9.770
   75   3HG2  VAL  13          3HG2      VAL  13  14.510  12.000 -10.026
   76    H    ARG  14           H        ARG  14  11.915  12.704  -5.666
   77    HA   ARG  14           HA       ARG  14   9.189  12.731  -5.039
   78   1HB   ARG  14          2HB       ARG  14   9.667  14.943  -3.881
   79   2HB   ARG  14          1HB       ARG  14  10.777  13.670  -3.447
   80   1HG   ARG  14          2HG       ARG  14  11.620  15.309  -5.814
   81   2HG   ARG  14          1HG       ARG  14  11.492  16.218  -4.327
   82   1HD   ARG  14          2HD       ARG  14  13.051  14.718  -3.182
   83   2HD   ARG  14          1HD       ARG  14  13.153  13.637  -4.558
   84    HE   ARG  14           HE       ARG  14  14.029  15.778  -5.811
   85   1HH1  ARG  14          1HH2      ARG  14  14.006  17.473  -3.513
   86   2HH1  ARG  14          2HH2      ARG  14  15.591  17.381  -2.845
   87   1HH2  ARG  14          2HH1      ARG  14  16.184  14.368  -4.663
   88   2HH2  ARG  14          1HH1      ARG  14  16.942  15.454  -3.564
   89    H    GLY  15           H        GLY  15   7.568  14.294  -5.288
   90   1HA   GLY  15          2HA       GLY  15   6.945  16.478  -6.541
   91   2HA   GLY  15          1HA       GLY  15   7.530  15.611  -7.980
   92    H    ASN  16           H        ASN  16   6.793  13.116  -6.841
   93    HA   ASN  16           HA       ASN  16   4.115  12.801  -7.868
   94   1HB   ASN  16          2HB       ASN  16   4.494  10.376  -7.212
   95   2HB   ASN  16          1HB       ASN  16   5.952  10.986  -7.975
   96   1HD2  ASN  16          2HD2      ASN  16   6.142  10.088  -4.087
   97   2HD2  ASN  16          1HD2      ASN  16   4.664   9.855  -4.902
   98    H    THR  17           H        THR  17   2.671  11.314  -6.434
   99    HA   THR  17           HA       THR  17   2.354  12.515  -3.761
  100    HB   THR  17           HB       THR  17  -0.210  11.886  -4.386
  101    HG1  THR  17           HG1      THR  17   0.444  12.338  -6.994
  102   1HG2  THR  17          3HG2      THR  17   1.212  14.092  -6.005
  103   2HG2  THR  17          2HG2      THR  17  -0.506  14.014  -5.613
  104   3HG2  THR  17          1HG2      THR  17   0.681  14.289  -4.353
  105    H    LEU  18           H        LEU  18   0.664  10.681  -2.648
  106    HA   LEU  18           HA       LEU  18   1.655   7.986  -3.319
  107   1HB   LEU  18          2HB       LEU  18   2.306   7.602  -0.923
  108   2HB   LEU  18          1HB       LEU  18   3.405   8.625  -1.814
  109    HG   LEU  18           HG       LEU  18   1.176   9.761  -0.109
  110   1HD1  LEU  18          3HD1      LEU  18   2.585   8.167   1.257
  111   2HD1  LEU  18          2HD1      LEU  18   4.039   8.975   0.720
  112   3HD1  LEU  18          1HD1      LEU  18   2.901   9.820   1.763
  113   1HD2  LEU  18          1HD2      LEU  18   2.484  11.387  -1.607
  114   2HD2  LEU  18          3HD2      LEU  18   2.757  11.702   0.084
  115   3HD2  LEU  18          2HD2      LEU  18   3.967  10.851  -0.852
  116    H    SER  19           H        SER  19  -0.507   7.756  -3.880
  117    HA   SER  19           HA       SER  19  -2.589   7.974  -1.825
  118   1HB   SER  19          2HB       SER  19  -3.995   7.056  -3.867
  119   2HB   SER  19          1HB       SER  19  -3.329   8.691  -3.973
  120    HG   SER  19           HG       SER  19  -2.263   7.989  -5.639
  121    H    GLY  20           H        GLY  20  -0.342   5.622  -2.325
  122   1HA   GLY  20          2HA       GLY  20  -2.080   3.365  -2.081
  123   2HA   GLY  20          1HA       GLY  20  -0.314   3.330  -2.134
  124    H    THR  21           H        THR  21  -1.011   1.797  -0.213
  125    HA   THR  21           HA       THR  21  -0.469   3.236   2.198
  126    HB   THR  21           HB       THR  21  -2.727   1.222   2.040
  127    HG1  THR  21           HG1      THR  21  -2.691   3.894   1.429
  128   1HG2  THR  21          1HG2      THR  21  -1.715   1.581   4.346
  129   2HG2  THR  21          3HG2      THR  21  -2.124   3.286   4.204
  130   3HG2  THR  21          2HG2      THR  21  -3.392   2.081   4.245
  131    H    LEU  22           H        LEU  22   0.451   2.072   3.510
  132    HA   LEU  22           HA       LEU  22   1.619  -0.456   2.567
  133   1HB   LEU  22          2HB       LEU  22   3.274   1.008   2.930
  134   2HB   LEU  22          1HB       LEU  22   2.587   1.788   4.345
  135    HG   LEU  22           HG       LEU  22   3.339  -1.076   4.807
  136   1HD1  LEU  22          2HD1      LEU  22   5.061  -0.490   3.083
  137   2HD1  LEU  22          1HD1      LEU  22   5.541   0.896   4.045
  138   3HD1  LEU  22          3HD1      LEU  22   5.789  -0.731   4.659
  139   1HD2  LEU  22          1HD2      LEU  22   2.863   0.629   6.578
  140   2HD2  LEU  22          3HD2      LEU  22   4.484  -0.038   6.747
  141   3HD2  LEU  22          2HD2      LEU  22   4.258   1.559   6.059
  142    H    TRP  23           H        TRP  23   1.428  -2.189   3.516
  143    HA   TRP  23           HA       TRP  23  -0.275  -2.427   5.951
  144   1HB   TRP  23          2HB       TRP  23   0.005  -4.145   3.446
  145   2HB   TRP  23          1HB       TRP  23  -0.694  -4.830   4.920
  146    HD1  TRP  23           HD1      TRP  23  -1.528  -2.288   2.077
  147    HE1  TRP  23           HE1      TRP  23  -3.822  -1.442   2.595
  148    HE3  TRP  23           HE3      TRP  23  -2.220  -4.354   6.636
  149    HZ2  TRP  23           HZ2      TRP  23  -5.804  -1.525   4.660
  150    HZ3  TRP  23           HZ3      TRP  23  -4.317  -3.884   7.886
  151    HH2  TRP  23           HH2      TRP  23  -6.100  -2.515   6.908
  152    H    LEU  24           H        LEU  24   0.587  -3.248   7.617
  153    HA   LEU  24           HA       LEU  24   3.389  -4.125   7.641
  154   1HB   LEU  24          2HB       LEU  24   1.658  -4.110  10.117
  155   2HB   LEU  24          1HB       LEU  24   3.350  -3.705   9.937
  156    HG   LEU  24           HG       LEU  24   1.063  -2.062   8.873
  157   1HD1  LEU  24          1HD1      LEU  24   2.878  -1.604  11.291
  158   2HD1  LEU  24          3HD1      LEU  24   1.700  -0.446  10.705
  159   3HD1  LEU  24          2HD1      LEU  24   1.167  -1.988  11.348
  160   1HD2  LEU  24          2HD2      LEU  24   4.069  -1.456   8.996
  161   2HD2  LEU  24          1HD2      LEU  24   3.155  -1.786   7.534
  162   3HD2  LEU  24          3HD2      LEU  24   2.834  -0.335   8.457
  163    H    TYR  25           H        TYR  25   0.474  -5.349   7.302
  164    HA   TYR  25           HA       TYR  25   0.432  -7.810   8.742
  165   1HB   TYR  25          2HB       TYR  25  -0.679  -7.049   6.007
  166   2HB   TYR  25          1HB       TYR  25  -1.108  -8.525   6.727
  167    HD1  TYR  25           HD1      TYR  25  -0.914  -6.199   9.461
  168    HD2  TYR  25           HD2      TYR  25  -3.329  -7.513   6.209
  169    HE1  TYR  25           HE1      TYR  25  -2.909  -5.317  10.573
  170    HE2  TYR  25           HE2      TYR  25  -5.313  -6.629   7.319
  171    HH   TYR  25           HH       TYR  25  -6.105  -5.620   9.102
  172    HA   PRO  26           HA       PRO  26   3.795  -9.764   7.377
  173   1HB   PRO  26          2HB       PRO  26   3.234 -12.465   7.289
  174   2HB   PRO  26          1HB       PRO  26   3.220 -11.553   8.800
  175   1HG   PRO  26          2HG       PRO  26   0.834 -12.169   6.959
  176   2HG   PRO  26          1HG       PRO  26   0.954 -12.458   8.695
  177   1HD   PRO  26          2HD       PRO  26  -0.253 -10.200   7.794
  178   2HD   PRO  26          1HD       PRO  26   0.820 -10.103   9.211
  179    H    SER  27           H        SER  27   1.302  -9.973   5.311
  180    HA   SER  27           HA       SER  27   3.074 -10.716   3.005
  181   1HB   SER  27          2HB       SER  27   0.822 -11.456   1.961
  182   2HB   SER  27          1HB       SER  27   1.515 -12.509   3.204
  183    HG   SER  27           HG       SER  27  -0.284 -12.109   4.241
  184    H    GLY  28           H        GLY  28   1.805  -8.190   4.385
  185   1HA   GLY  28          2HA       GLY  28   1.587  -6.023   3.582
  186   2HA   GLY  28          1HA       GLY  28   1.833  -6.675   1.961
  187    H    CYS  29           H        CYS  29   0.371  -6.321   0.757
  188    HA   CYS  29           HA       CYS  29  -1.982  -5.152   1.187
  189   1HB   CYS  29          2HB       CYS  29  -0.811  -5.937  -1.063
  190   2HB   CYS  29          1HB       CYS  29  -2.081  -7.136  -1.004
  191    HA   PRO  30           HA       PRO  30  -4.318  -8.518   2.979
  192   1HB   PRO  30          2HB       PRO  30  -6.350  -7.047   4.059
  193   2HB   PRO  30          1HB       PRO  30  -4.725  -7.038   4.744
  194   1HG   PRO  30          2HG       PRO  30  -5.941  -4.990   2.830
  195   2HG   PRO  30          1HG       PRO  30  -5.039  -4.713   4.309
  196   1HD   PRO  30          2HD       PRO  30  -3.948  -4.667   1.777
  197   2HD   PRO  30          1HD       PRO  30  -2.997  -5.100   3.229
  198    H    SER  31           H        SER  31  -6.563  -9.082   3.010
  199    HA   SER  31           HA       SER  31  -7.456  -9.324   0.332
  200   1HB   SER  31          2HB       SER  31  -8.689 -10.488   2.937
  201   2HB   SER  31          1HB       SER  31  -8.968 -11.133   1.308
  202    HG   SER  31           HG       SER  31  -6.835 -11.555   2.923
  203    H    GLY  32           H        GLY  32  -8.457  -7.823  -0.434
  204   1HA   GLY  32          2HA       GLY  32 -10.751  -6.751  -0.539
  205   2HA   GLY  32          1HA       GLY  32 -10.380  -6.187   1.109
  206    H    TRP  33           H        TRP  33  -7.433  -6.451  -0.557
  207    HA   TRP  33           HA       TRP  33  -7.590  -3.681  -1.458
  208   1HB   TRP  33          2HB       TRP  33  -5.558  -5.254   0.254
  209   2HB   TRP  33          1HB       TRP  33  -4.997  -3.901  -0.694
  210    HD1  TRP  33           HD1      TRP  33  -8.083  -4.418   1.747
  211    HE1  TRP  33           HE1      TRP  33  -8.210  -2.245   2.998
  212    HE3  TRP  33           HE3      TRP  33  -4.199  -2.045  -0.310
  213    HZ2  TRP  33           HZ2      TRP  33  -6.774   0.345   3.158
  214    HZ3  TRP  33           HZ3      TRP  33  -3.564   0.207   0.324
  215    HH2  TRP  33           HH2      TRP  33  -4.824   1.422   2.036
  216    H    HIS  34           H        HIS  34  -4.960  -3.972  -2.682
  217    HA   HIS  34           HA       HIS  34  -5.473  -6.103  -4.559
  218   1HB   HIS  34          2HB       HIS  34  -6.470  -3.896  -5.353
  219   2HB   HIS  34          1HB       HIS  34  -4.865  -3.207  -5.407
  220    HD1  HIS  34           HD1      HIS  34  -4.320  -3.286  -7.942
  221    HD2  HIS  34           HD2      HIS  34  -6.115  -6.733  -6.691
  222    HE1  HIS  34           HE1      HIS  34  -4.323  -4.808  -9.888
  223    H    ASN  35           H        ASN  35  -3.181  -4.127  -5.816
  224    HA   ASN  35           HA       ASN  35  -0.903  -4.715  -4.263
  225   1HB   ASN  35          2HB       ASN  35   0.126  -6.556  -5.750
  226   2HB   ASN  35          1HB       ASN  35  -1.345  -7.129  -4.989
  227   1HD2  ASN  35          2HD2      ASN  35  -3.154  -7.013  -8.156
  228   2HD2  ASN  35          1HD2      ASN  35  -3.422  -6.699  -6.513
  229    H    CYS  36           H        CYS  36   0.735  -3.419  -4.815
  230    HA   CYS  36           HA       CYS  36   1.052  -2.690  -7.677
  231   1HB   CYS  36          2HB       CYS  36   0.695  -0.369  -7.372
  232   2HB   CYS  36          1HB       CYS  36  -0.684  -1.195  -6.704
  233    H    LYS  37           H        LYS  37   2.783  -3.586  -5.098
  234    HA   LYS  37           HA       LYS  37   5.130  -2.060  -5.999
  235   1HB   LYS  37          2HB       LYS  37   4.360  -2.661  -3.122
  236   2HB   LYS  37          1HB       LYS  37   5.778  -1.751  -3.518
  237   1HG   LYS  37          2HG       LYS  37   3.322  -0.558  -4.703
  238   2HG   LYS  37          1HG       LYS  37   3.263  -0.633  -3.008
  239   1HD   LYS  37          2HD       LYS  37   4.239   1.478  -3.665
  240   2HD   LYS  37          1HD       LYS  37   5.569   0.563  -2.997
  241   1HE   LYS  37          2HE       LYS  37   6.489   0.014  -5.084
  242   2HE   LYS  37          1HE       LYS  37   5.003   0.306  -5.947
  243   1HZ   LYS  37          2HZ       LYS  37   5.852   2.773  -4.828
  244   2HZ   LYS  37          1HZ       LYS  37   7.163   2.021  -5.717
  245   3HZ   LYS  37          3HZ       LYS  37   5.769   2.287  -6.466
  246    H    ALA  38           H        ALA  38   5.840  -3.793  -7.119
  247    HA   ALA  38           HA       ALA  38   6.008  -6.510  -6.121
  248   1HB   ALA  38          2HB       ALA  38   5.762  -6.004  -8.548
  249   2HB   ALA  38          1HB       ALA  38   7.322  -5.186  -8.528
  250   3HB   ALA  38          3HB       ALA  38   7.237  -6.911  -8.249
  251    H    HIS  39           H        HIS  39   7.315  -4.751  -4.387
  252    HA   HIS  39           HA       HIS  39  10.032  -5.969  -4.389
  253   1HB   HIS  39          2HB       HIS  39   9.494  -2.997  -4.009
  254   2HB   HIS  39          1HB       HIS  39  11.054  -3.776  -3.859
  255    HD1  HIS  39           HD1      HIS  39  11.398  -5.342  -6.286
  256    HD2  HIS  39           HD2      HIS  39   9.294  -1.847  -6.512
  257    HE1  HIS  39           HE1      HIS  39  11.443  -4.641  -8.659
  258    H    GLY  40           H        GLY  40   7.446  -4.592  -2.438
  259   1HA   GLY  40          2HA       GLY  40   7.443  -5.968  -0.239
  260   2HA   GLY  40          1HA       GLY  40   8.970  -5.199   0.018
  261    HA   PRO  41           HA       PRO  41   9.861  -3.435   0.324
  262   1HB   PRO  41          2HB       PRO  41  10.510  -1.637   2.337
  263   2HB   PRO  41          1HB       PRO  41   9.978  -1.094   0.745
  264   1HG   PRO  41          2HG       PRO  41   8.246  -1.521   3.239
  265   2HG   PRO  41          1HG       PRO  41   8.363  -0.072   2.235
  266   1HD   PRO  41          2HD       PRO  41   6.381  -1.930   1.807
  267   2HD   PRO  41          1HD       PRO  41   7.102  -1.071   0.444
  268    H    THR  42           H        THR  42  11.547  -3.481   2.306
  269    HA   THR  42           HA       THR  42  10.911  -6.019   3.645
  270    HB   THR  42           HB       THR  42  13.137  -5.755   2.489
  271    HG1  THR  42           HG1      THR  42  12.987  -6.060   5.284
  272   1HG2  THR  42          2HG2      THR  42  13.747  -3.661   4.651
  273   2HG2  THR  42          1HG2      THR  42  14.853  -4.257   3.431
  274   3HG2  THR  42          3HG2      THR  42  13.501  -3.250   2.960
  275    H    ILE  43           H        ILE  43   9.803  -3.313   4.449
  276    HA   ILE  43           HA       ILE  43  10.208  -3.660   7.385
  277    HB   ILE  43           HB       ILE  43  10.210  -1.079   7.564
  278   1HG1  ILE  43          2HG1      ILE  43  10.952  -1.251   4.598
  279   2HG1  ILE  43          1HG1      ILE  43   9.391  -0.704   5.192
  280   1HG2  ILE  43          1HG2      ILE  43  12.266  -2.445   7.903
  281   2HG2  ILE  43          3HG2      ILE  43  12.597  -2.407   6.184
  282   3HG2  ILE  43          2HG2      ILE  43  12.674  -0.932   7.130
  283   1HD1  ILE  43          3HD1      ILE  43  10.492   1.149   6.412
  284   2HD1  ILE  43          2HD1      ILE  43  12.065   0.631   5.816
  285   3HD1  ILE  43          1HD1      ILE  43  10.849   1.217   4.698
  286    H    GLY  44           H        GLY  44   8.190  -4.243   5.342
  287   1HA   GLY  44          2HA       GLY  44   5.814  -4.479   6.300
  288   2HA   GLY  44          1HA       GLY  44   5.818  -2.693   6.265
  289    H    TRP  45           H        TRP  45   4.007  -4.040   4.501
  290    HA   TRP  45           HA       TRP  45   5.471  -3.952   1.916
  291   1HB   TRP  45          2HB       TRP  45   2.712  -4.901   2.380
  292   2HB   TRP  45          1HB       TRP  45   3.649  -5.117   0.927
  293    HD1  TRP  45           HD1      TRP  45   4.133  -6.322   4.709
  294    HE1  TRP  45           HE1      TRP  45   4.863  -8.722   4.465
  295    HE3  TRP  45           HE3      TRP  45   4.278  -6.741  -0.310
  296    HZ2  TRP  45           HZ2      TRP  45   5.454 -10.669   2.458
  297    HZ3  TRP  45           HZ3      TRP  45   4.922  -8.861  -1.394
  298    HH2  TRP  45           HH2      TRP  45   5.522 -10.830  -0.014
  299    H    CYS  46           H        CYS  46   4.408  -2.939   0.093
  300    HA   CYS  46           HA       CYS  46   2.653  -0.646   0.834
  301   1HB   CYS  46          2HB       CYS  46   5.069  -0.968  -0.890
  302   2HB   CYS  46          1HB       CYS  46   3.907   0.174  -1.425
  303    H    CYS  47           H        CYS  47   0.726  -0.631  -0.103
  304    HA   CYS  47           HA       CYS  47   0.299  -1.789  -2.771
  305   1HB   CYS  47          2HB       CYS  47   0.079  -3.610  -1.013
  306   2HB   CYS  47          1HB       CYS  47  -1.304  -2.734  -0.395
  307    H    LYS  48           H        LYS  48  -2.460  -1.923  -2.753
  308    HA   LYS  48           HA       LYS  48  -3.501   0.657  -1.783
  309   1HB   LYS  48          2HB       LYS  48  -2.340   1.020  -4.191
  310   2HB   LYS  48          1HB       LYS  48  -3.660   0.037  -4.812
  311   1HG   LYS  48          2HG       LYS  48  -5.354   1.579  -4.016
  312   2HG   LYS  48          1HG       LYS  48  -4.208   2.481  -3.048
  313   1HD   LYS  48          2HD       LYS  48  -4.302   2.430  -6.094
  314   2HD   LYS  48          1HD       LYS  48  -4.908   3.726  -5.082
  315   1HE   LYS  48          2HE       LYS  48  -2.452   3.914  -4.161
  316   2HE   LYS  48          1HE       LYS  48  -2.007   2.917  -5.532
  317   1HZ   LYS  48          3HZ       LYS  48  -3.634   5.027  -6.475
  318   2HZ   LYS  48          2HZ       LYS  48  -2.387   5.650  -5.495
  319   3HZ   LYS  48          1HZ       LYS  48  -1.981   4.722  -6.782
  320    H    GLN  49           H        GLN  49  -5.958   0.556  -2.212
  321    HA   GLN  49           HA       GLN  49  -6.846  -1.918  -1.488
  322   1HB   GLN  49          2HB       GLN  49  -7.597   0.735  -1.219
  323   2HB   GLN  49          1HB       GLN  49  -8.695   0.209  -2.492
  324   1HG   GLN  49          2HG       GLN  49  -9.175  -1.723  -1.230
  325   2HG   GLN  49          1HG       GLN  49  -8.155  -1.167   0.093
  326   1HE2  GLN  49          2HE2      GLN  49 -11.689  -0.144   0.845
  327   2HE2  GLN  49          1HE2      GLN  49 -11.000  -1.646   0.441
   
  No H/Q in entry =         327
  Start of MODEL          17
 Raw file had  333 H/Q atoms
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1  -3.954   7.294   8.438
    2   2H    GLY   1          3H        GLY   1  -5.384   6.406   8.204
    3   3H    GLY   1          2H        GLY   1  -4.558   6.321   9.694
    4   1HA   GLY   1          2HA       GLY   1  -3.304   4.628   8.938
    5   2HA   GLY   1          1HA       GLY   1  -4.178   4.721   7.392
    6    H    VAL   2           H        VAL   2  -1.703   4.198   6.748
    7    HA   VAL   2           HA       VAL   2  -0.402   6.825   6.208
    8    HB   VAL   2           HB       VAL   2   1.054   4.198   6.449
    9   1HG1  VAL   2          3HG1      VAL   2   2.080   7.051   6.555
   10   2HG1  VAL   2          2HG1      VAL   2   3.069   5.616   6.740
   11   3HG1  VAL   2          1HG1      VAL   2   2.255   5.919   5.220
   12   1HG2  VAL   2          3HG2      VAL   2   0.729   6.278   8.680
   13   2HG2  VAL   2          2HG2      VAL   2   0.069   4.649   8.715
   14   3HG2  VAL   2          1HG2      VAL   2   1.800   4.889   8.755
   15    H    SER   3           H        SER   3  -0.019   7.095   4.137
   16    HA   SER   3           HA       SER   3  -0.923   5.051   2.237
   17   1HB   SER   3          2HB       SER   3   0.008   7.898   1.643
   18   2HB   SER   3          1HB       SER   3  -0.959   6.850   0.608
   19    HG   SER   3           HG       SER   3  -1.920   8.423   2.420
   20    H    CYS   4           H        CYS   4   0.570   4.921   0.168
   21    HA   CYS   4           HA       CYS   4   3.460   5.136   0.781
   22   1HB   CYS   4          2HB       CYS   4   3.008   2.846   1.503
   23   2HB   CYS   4          1HB       CYS   4   2.118   2.500   0.032
   24    H    LEU   5           H        LEU   5   4.767   4.772  -1.112
   25    HA   LEU   5           HA       LEU   5   3.558   5.890  -3.502
   26   1HB   LEU   5          2HB       LEU   5   6.376   5.101  -2.690
   27   2HB   LEU   5          1HB       LEU   5   6.009   5.579  -4.303
   28    HG   LEU   5           HG       LEU   5   5.020   7.768  -3.201
   29   1HD1  LEU   5          1HD1      LEU   5   5.140   6.865  -0.854
   30   2HD1  LEU   5          3HD1      LEU   5   6.886   6.753  -1.006
   31   3HD1  LEU   5          2HD1      LEU   5   6.098   8.323  -1.039
   32   1HD2  LEU   5          2HD2      LEU   5   8.027   7.235  -3.207
   33   2HD2  LEU   5          1HD2      LEU   5   7.069   7.722  -4.592
   34   3HD2  LEU   5          3HD2      LEU   5   7.278   8.821  -3.245
   35    H    CYS   6           H        CYS   6   2.866   4.624  -5.147
   36    HA   CYS   6           HA       CYS   6   3.388   1.695  -4.957
   37   1HB   CYS   6          2HB       CYS   6   1.801   3.285  -7.014
   38   2HB   CYS   6          1HB       CYS   6   1.772   1.548  -6.810
   39    H    ASP   7           H        ASP   7   3.785   0.792  -7.398
   40    HA   ASP   7           HA       ASP   7   6.427   1.616  -8.048
   41   1HB   ASP   7          2HB       ASP   7   4.408  -0.295  -9.115
   42   2HB   ASP   7          1HB       ASP   7   5.356   0.425 -10.406
   43    H    SER   8           H        SER   8   3.401   2.572  -9.098
   44    HA   SER   8           HA       SER   8   4.109   4.282 -11.292
   45   1HB   SER   8          2HB       SER   8   1.699   4.526  -9.398
   46   2HB   SER   8          1HB       SER   8   1.811   5.157 -11.051
   47    HG   SER   8           HG       SER   8   1.018   2.769 -10.514
   48    H    ASP   9           H        ASP   9   4.038   4.746  -7.780
   49    HA   ASP   9           HA       ASP   9   4.660   7.628  -8.077
   50   1HB   ASP   9          2HB       ASP   9   4.460   5.892  -5.572
   51   2HB   ASP   9          1HB       ASP   9   4.681   7.620  -5.578
   52    H    GLY  10           H        GLY  10   6.392   6.922  -9.356
   53   1HA   GLY  10          2HA       GLY  10   8.823   6.020  -7.883
   54   2HA   GLY  10          1HA       GLY  10   8.599   5.864  -9.627
   55    HA   PRO  11           HA       PRO  11  10.387   9.883 -10.033
   56   1HB   PRO  11          2HB       PRO  11   9.225  10.993 -12.198
   57   2HB   PRO  11          1HB       PRO  11  10.126   9.478 -12.336
   58   1HG   PRO  11          2HG       PRO  11   7.101   9.812 -11.957
   59   2HG   PRO  11          1HG       PRO  11   7.927   8.888 -13.216
   60   1HD   PRO  11          2HD       PRO  11   7.034   7.688 -10.913
   61   2HD   PRO  11          1HD       PRO  11   8.530   7.128 -11.687
   62    H    SER  12           H        SER  12  10.232  12.112  -9.545
   63    HA   SER  12           HA       SER  12   7.864  12.819  -7.970
   64   1HB   SER  12          2HB       SER  12   9.435  14.840  -7.456
   65   2HB   SER  12          1HB       SER  12   9.950  13.226  -6.938
   66    HG   SER  12           HG       SER  12  10.525  14.413  -9.462
   67    H    VAL  13           H        VAL  13   6.334  13.586  -9.044
   68    HA   VAL  13           HA       VAL  13   6.714  15.646 -11.178
   69    HB   VAL  13           HB       VAL  13   4.398  13.682 -11.122
   70   1HG1  VAL  13          2HG1      VAL  13   5.566  15.332 -13.405
   71   2HG1  VAL  13          1HG1      VAL  13   4.225  14.206 -13.540
   72   3HG1  VAL  13          3HG1      VAL  13   4.055  15.644 -12.558
   73   1HG2  VAL  13          1HG2      VAL  13   7.048  13.229 -12.549
   74   2HG2  VAL  13          3HG2      VAL  13   6.400  12.265 -11.234
   75   3HG2  VAL  13          2HG2      VAL  13   5.603  12.259 -12.793
   76    H    ARG  14           H        ARG  14   5.298  17.437 -11.038
   77    HA   ARG  14           HA       ARG  14   4.118  17.953  -8.462
   78   1HB   ARG  14          2HB       ARG  14   3.570  19.278 -11.159
   79   2HB   ARG  14          1HB       ARG  14   2.924  19.878  -9.646
   80   1HG   ARG  14          2HG       ARG  14   5.276  20.131  -8.784
   81   2HG   ARG  14          1HG       ARG  14   5.879  19.675 -10.371
   82   1HD   ARG  14          2HD       ARG  14   4.553  21.619 -11.373
   83   2HD   ARG  14          1HD       ARG  14   4.068  22.073  -9.747
   84    HE   ARG  14           HE       ARG  14   6.649  22.276  -9.317
   85   1HH1  ARG  14          2HH1      ARG  14   7.365  21.629 -12.024
   86   2HH1  ARG  14          1HH1      ARG  14   7.556  23.138 -12.832
   87   1HH2  ARG  14          1HH2      ARG  14   5.727  24.752 -10.218
   88   2HH2  ARG  14          2HH2      ARG  14   6.542  25.099 -11.696
   89    H    GLY  15           H        GLY  15   2.318  17.123  -7.697
   90   1HA   GLY  15          2HA       GLY  15  -0.148  16.814  -7.948
   91   2HA   GLY  15          1HA       GLY  15   0.161  16.209  -9.587
   92    H    ASN  16           H        ASN  16   2.641  14.962  -8.531
   93    HA   ASN  16           HA       ASN  16   1.538  12.346  -8.005
   94   1HB   ASN  16          2HB       ASN  16   3.778  12.520  -9.113
   95   2HB   ASN  16          1HB       ASN  16   4.404  13.394  -7.718
   96   1HD2  ASN  16          2HD2      ASN  16   3.634   9.500  -6.997
   97   2HD2  ASN  16          1HD2      ASN  16   2.560  10.301  -8.019
   98    H    THR  17           H        THR  17   2.218  11.076  -6.068
   99    HA   THR  17           HA       THR  17   2.821  12.219  -3.538
  100    HB   THR  17           HB       THR  17   0.456  13.232  -3.817
  101    HG1  THR  17           HG1      THR  17   0.209  12.741  -1.781
  102   1HG2  THR  17          2HG2      THR  17  -0.483  11.362  -5.295
  103   2HG2  THR  17          1HG2      THR  17  -0.446  10.291  -3.900
  104   3HG2  THR  17          3HG2      THR  17  -1.489  11.700  -3.897
  105    H    LEU  18           H        LEU  18   1.263  10.305  -2.238
  106    HA   LEU  18           HA       LEU  18   2.366   7.707  -3.259
  107   1HB   LEU  18          2HB       LEU  18   2.374   7.155  -0.732
  108   2HB   LEU  18          1HB       LEU  18   3.656   8.183  -1.343
  109    HG   LEU  18           HG       LEU  18   1.122   9.330  -0.203
  110   1HD1  LEU  18          3HD1      LEU  18   2.165   7.718   1.456
  111   2HD1  LEU  18          2HD1      LEU  18   3.700   8.524   1.273
  112   3HD1  LEU  18          1HD1      LEU  18   2.349   9.368   2.018
  113   1HD2  LEU  18          1HD2      LEU  18   4.047  10.313  -0.267
  114   2HD2  LEU  18          3HD2      LEU  18   2.797  10.955  -1.300
  115   3HD2  LEU  18          2HD2      LEU  18   2.708  11.219   0.418
  116    H    SER  19           H        SER  19   0.526   7.253  -4.261
  117    HA   SER  19           HA       SER  19  -2.139   7.559  -3.066
  118   1HB   SER  19          2HB       SER  19  -1.333   7.504  -5.658
  119   2HB   SER  19          1HB       SER  19  -1.755   5.801  -5.488
  120    HG   SER  19           HG       SER  19  -3.399   7.815  -5.807
  121    H    GLY  20           H        GLY  20   0.192   5.035  -2.908
  122   1HA   GLY  20          2HA       GLY  20  -1.577   2.855  -2.529
  123   2HA   GLY  20          1HA       GLY  20   0.135   2.876  -2.238
  124    H    THR  21           H        THR  21  -0.691   1.559  -0.311
  125    HA   THR  21           HA       THR  21  -0.685   3.198   2.026
  126    HB   THR  21           HB       THR  21  -2.672   0.926   1.694
  127    HG1  THR  21           HG1      THR  21  -2.825   3.610   0.949
  128   1HG2  THR  21          2HG2      THR  21  -2.122   1.594   4.083
  129   2HG2  THR  21          1HG2      THR  21  -2.676   3.218   3.708
  130   3HG2  THR  21          3HG2      THR  21  -3.797   1.876   3.671
  131    H    LEU  22           H        LEU  22   0.146   2.097   3.570
  132    HA   LEU  22           HA       LEU  22   1.548  -0.412   2.744
  133   1HB   LEU  22          2HB       LEU  22   3.061   1.225   3.167
  134   2HB   LEU  22          1HB       LEU  22   2.325   1.831   4.638
  135    HG   LEU  22           HG       LEU  22   3.616  -0.967   4.473
  136   1HD1  LEU  22          2HD1      LEU  22   5.240   0.765   3.696
  137   2HD1  LEU  22          1HD1      LEU  22   4.951   1.681   5.164
  138   3HD1  LEU  22          3HD1      LEU  22   5.695   0.088   5.241
  139   1HD2  LEU  22          1HD2      LEU  22   3.236   1.007   6.750
  140   2HD2  LEU  22          3HD2      LEU  22   2.234  -0.412   6.515
  141   3HD2  LEU  22          2HD2      LEU  22   3.948  -0.595   6.849
  142    H    TRP  23           H        TRP  23   1.576  -2.111   3.947
  143    HA   TRP  23           HA       TRP  23  -0.316  -2.333   6.224
  144   1HB   TRP  23          2HB       TRP  23   0.159  -4.123   3.783
  145   2HB   TRP  23          1HB       TRP  23  -0.568  -4.808   5.229
  146    HD1  TRP  23           HD1      TRP  23  -1.505  -2.492   2.238
  147    HE1  TRP  23           HE1      TRP  23  -3.851  -1.733   2.689
  148    HE3  TRP  23           HE3      TRP  23  -2.099  -4.240   6.920
  149    HZ2  TRP  23           HZ2      TRP  23  -5.836  -1.779   4.767
  150    HZ3  TRP  23           HZ3      TRP  23  -4.217  -3.806   8.147
  151    HH2  TRP  23           HH2      TRP  23  -6.072  -2.607   7.071
  152    H    LEU  24           H        LEU  24   0.422  -3.288   7.941
  153    HA   LEU  24           HA       LEU  24   3.292  -3.850   8.220
  154   1HB   LEU  24          2HB       LEU  24   1.236  -4.093  10.446
  155   2HB   LEU  24          1HB       LEU  24   2.915  -3.637  10.567
  156    HG   LEU  24           HG       LEU  24   0.757  -1.950   9.247
  157   1HD1  LEU  24          2HD1      LEU  24   0.478  -2.051  11.720
  158   2HD1  LEU  24          1HD1      LEU  24   2.159  -1.588  11.937
  159   3HD1  LEU  24          3HD1      LEU  24   1.019  -0.455  11.239
  160   1HD2  LEU  24          3HD2      LEU  24   3.063  -1.615   8.345
  161   2HD2  LEU  24          2HD2      LEU  24   2.560  -0.193   9.241
  162   3HD2  LEU  24          1HD2      LEU  24   3.666  -1.349   9.962
  163    H    TYR  25           H        TYR  25   0.475  -5.284   7.743
  164    HA   TYR  25           HA       TYR  25   0.561  -7.798   9.000
  165   1HB   TYR  25          2HB       TYR  25  -0.606  -6.913   6.334
  166   2HB   TYR  25          1HB       TYR  25  -1.039  -8.408   7.043
  167    HD1  TYR  25           HD1      TYR  25  -0.578  -5.985   9.718
  168    HD2  TYR  25           HD2      TYR  25  -3.326  -7.416   6.775
  169    HE1  TYR  25           HE1      TYR  25  -2.422  -5.026  10.959
  170    HE2  TYR  25           HE2      TYR  25  -5.167  -6.448   8.036
  171    HH   TYR  25           HH       TYR  25  -5.725  -5.540  10.159
  172    HA   PRO  26           HA       PRO  26   4.067  -9.425   7.396
  173   1HB   PRO  26          2HB       PRO  26   3.808 -12.130   7.739
  174   2HB   PRO  26          1HB       PRO  26   3.867 -11.023   9.115
  175   1HG   PRO  26          2HG       PRO  26   1.363 -12.123   7.710
  176   2HG   PRO  26          1HG       PRO  26   1.729 -12.152   9.435
  177   1HD   PRO  26          2HD       PRO  26   0.174 -10.165   8.418
  178   2HD   PRO  26          1HD       PRO  26   1.378  -9.789   9.677
  179    H    SER  27           H        SER  27   1.343  -9.855   5.728
  180    HA   SER  27           HA       SER  27   2.789 -10.883   3.314
  181   1HB   SER  27          2HB       SER  27   0.622 -11.918   2.653
  182   2HB   SER  27          1HB       SER  27   1.270 -12.626   4.142
  183    HG   SER  27           HG       SER  27  -0.978 -11.077   3.813
  184    H    GLY  28           H        GLY  28   2.099  -8.205   4.416
  185   1HA   GLY  28          2HA       GLY  28   1.463  -6.146   3.608
  186   2HA   GLY  28          1HA       GLY  28   1.712  -6.843   2.025
  187    H    CYS  29           H        CYS  29   0.182  -6.848   0.836
  188    HA   CYS  29           HA       CYS  29  -2.153  -5.581   1.182
  189   1HB   CYS  29          2HB       CYS  29  -0.974  -6.651  -0.956
  190   2HB   CYS  29          1HB       CYS  29  -2.288  -7.792  -0.774
  191    HA   PRO  30           HA       PRO  30  -4.510  -8.743   3.415
  192   1HB   PRO  30          2HB       PRO  30  -6.437  -7.098   4.426
  193   2HB   PRO  30          1HB       PRO  30  -4.812  -7.217   5.105
  194   1HG   PRO  30          2HG       PRO  30  -5.936  -4.998   3.398
  195   2HG   PRO  30          1HG       PRO  30  -4.719  -4.959   4.657
  196   1HD   PRO  30          2HD       PRO  30  -4.267  -5.088   1.844
  197   2HD   PRO  30          1HD       PRO  30  -3.023  -5.256   3.115
  198    H    SER  31           H        SER  31  -6.388  -9.693   2.949
  199    HA   SER  31           HA       SER  31  -7.299  -9.611   0.308
  200   1HB   SER  31          2HB       SER  31  -7.532 -11.718   1.916
  201   2HB   SER  31          1HB       SER  31  -8.895 -10.866   2.670
  202    HG   SER  31           HG       SER  31  -8.880 -12.272   0.391
  203    H    GLY  32           H        GLY  32  -8.202  -8.115  -0.448
  204   1HA   GLY  32          2HA       GLY  32 -10.555  -7.016  -0.629
  205   2HA   GLY  32          1HA       GLY  32 -10.104  -6.343   0.951
  206    H    TRP  33           H        TRP  33  -7.195  -6.721  -0.512
  207    HA   TRP  33           HA       TRP  33  -7.232  -4.052  -1.767
  208   1HB   TRP  33          2HB       TRP  33  -5.181  -5.541  -0.016
  209   2HB   TRP  33          1HB       TRP  33  -4.754  -4.094  -0.888
  210    HD1  TRP  33           HD1      TRP  33  -7.693  -4.997   1.602
  211    HE1  TRP  33           HE1      TRP  33  -7.937  -2.885   2.953
  212    HE3  TRP  33           HE3      TRP  33  -4.072  -2.182  -0.473
  213    HZ2  TRP  33           HZ2      TRP  33  -6.766  -0.222   3.173
  214    HZ3  TRP  33           HZ3      TRP  33  -3.657   0.065   0.246
  215    HH2  TRP  33           HH2      TRP  33  -4.947   1.085   2.051
  216    H    HIS  34           H        HIS  34  -4.683  -4.457  -2.791
  217    HA   HIS  34           HA       HIS  34  -4.868  -6.683  -4.623
  218   1HB   HIS  34          2HB       HIS  34  -4.651  -3.754  -5.401
  219   2HB   HIS  34          1HB       HIS  34  -4.243  -5.012  -6.554
  220    HD1  HIS  34           HD1      HIS  34  -6.291  -6.230  -7.579
  221    HD2  HIS  34           HD2      HIS  34  -7.386  -3.544  -4.685
  222    HE1  HIS  34           HE1      HIS  34  -8.737  -6.003  -7.722
  223    H    ASN  35           H        ASN  35  -2.811  -4.097  -5.063
  224    HA   ASN  35           HA       ASN  35  -0.405  -4.752  -3.772
  225   1HB   ASN  35          2HB       ASN  35   0.963  -5.804  -5.491
  226   2HB   ASN  35          1HB       ASN  35  -0.508  -6.755  -5.502
  227   1HD2  ASN  35          2HD2      ASN  35  -1.610  -5.171  -8.606
  228   2HD2  ASN  35          1HD2      ASN  35  -2.273  -5.497  -7.070
  229    H    CYS  36           H        CYS  36   1.261  -3.254  -4.478
  230    HA   CYS  36           HA       CYS  36   0.520  -1.293  -6.571
  231   1HB   CYS  36          2HB       CYS  36  -0.234  -0.797  -3.929
  232   2HB   CYS  36          1HB       CYS  36   1.219   0.158  -4.098
  233    H    LYS  37           H        LYS  37   2.824  -2.116  -3.960
  234    HA   LYS  37           HA       LYS  37   4.980  -0.942  -5.570
  235   1HB   LYS  37          2HB       LYS  37   4.595  -1.702  -2.718
  236   2HB   LYS  37          1HB       LYS  37   6.222  -1.734  -3.224
  237   1HG   LYS  37          2HG       LYS  37   4.387   0.637  -3.394
  238   2HG   LYS  37          1HG       LYS  37   5.694   0.416  -2.258
  239   1HD   LYS  37          2HD       LYS  37   6.853   0.031  -4.873
  240   2HD   LYS  37          1HD       LYS  37   5.810   1.443  -4.968
  241   1HE   LYS  37          2HE       LYS  37   6.887   2.186  -2.741
  242   2HE   LYS  37          1HE       LYS  37   8.068   0.920  -3.036
  243   1HZ   LYS  37          1HZ       LYS  37   7.719   2.438  -5.406
  244   2HZ   LYS  37          3HZ       LYS  37   7.992   3.496  -4.140
  245   3HZ   LYS  37          2HZ       LYS  37   9.127   2.284  -4.459
  246    H    ALA  38           H        ALA  38   5.560  -2.295  -7.011
  247    HA   ALA  38           HA       ALA  38   5.380  -5.154  -6.946
  248   1HB   ALA  38          2HB       ALA  38   5.455  -3.877  -9.070
  249   2HB   ALA  38          1HB       ALA  38   7.099  -3.368  -8.710
  250   3HB   ALA  38          3HB       ALA  38   6.765  -5.051  -9.031
  251    H    HIS  39           H        HIS  39   7.095  -3.894  -4.770
  252    HA   HIS  39           HA       HIS  39   9.359  -5.794  -5.041
  253   1HB   HIS  39          2HB       HIS  39   9.538  -2.876  -4.244
  254   2HB   HIS  39          1HB       HIS  39  10.829  -4.044  -4.012
  255    HD1  HIS  39           HD1      HIS  39  10.080  -1.629  -6.353
  256    HD2  HIS  39           HD2      HIS  39  11.013  -5.569  -6.825
  257    HE1  HIS  39           HE1      HIS  39  10.854  -1.890  -8.688
  258    H    GLY  40           H        GLY  40   7.002  -4.488  -2.909
  259   1HA   GLY  40          2HA       GLY  40   6.811  -6.192  -0.985
  260   2HA   GLY  40          1HA       GLY  40   8.422  -5.690  -0.590
  261    HA   PRO  41           HA       PRO  41   9.504  -3.970  -0.579
  262   1HB   PRO  41          2HB       PRO  41  10.633  -1.823   0.562
  263   2HB   PRO  41          1HB       PRO  41   9.451  -1.559  -0.727
  264   1HG   PRO  41          2HG       PRO  41   8.950  -1.523   2.313
  265   2HG   PRO  41          1HG       PRO  41   8.501  -0.296   1.128
  266   1HD   PRO  41          2HD       PRO  41   6.792  -2.379   1.965
  267   2HD   PRO  41          1HD       PRO  41   6.606  -1.539   0.418
  268    H    THR  42           H        THR  42  11.590  -3.500   1.224
  269    HA   THR  42           HA       THR  42  11.346  -5.756   2.976
  270    HB   THR  42           HB       THR  42  13.804  -4.839   3.491
  271    HG1  THR  42           HG1      THR  42  13.898  -2.857   2.755
  272   1HG2  THR  42          2HG2      THR  42  12.986  -5.204   0.534
  273   2HG2  THR  42          1HG2      THR  42  14.596  -5.448   1.193
  274   3HG2  THR  42          3HG2      THR  42  13.302  -6.562   1.598
  275    H    ILE  43           H        ILE  43   9.654  -3.384   3.508
  276    HA   ILE  43           HA       ILE  43  10.043  -3.224   6.424
  277    HB   ILE  43           HB       ILE  43   9.638  -0.682   4.725
  278   1HG1  ILE  43          2HG1      ILE  43  11.995  -0.092   5.941
  279   2HG1  ILE  43          1HG1      ILE  43  12.189  -1.829   5.891
  280   1HG2  ILE  43          2HG2      ILE  43  10.085  -1.013   7.720
  281   2HG2  ILE  43          1HG2      ILE  43   9.920   0.521   6.880
  282   3HG2  ILE  43          3HG2      ILE  43   8.568  -0.589   6.939
  283   1HD1  ILE  43          1HD1      ILE  43  11.829  -1.776   3.393
  284   2HD1  ILE  43          3HD1      ILE  43  11.645  -0.040   3.481
  285   3HD1  ILE  43          2HD1      ILE  43  13.185  -0.773   3.887
  286    H    GLY  44           H        GLY  44   8.128  -4.312   6.700
  287   1HA   GLY  44          2HA       GLY  44   5.797  -4.805   6.576
  288   2HA   GLY  44          1HA       GLY  44   5.590  -3.047   6.360
  289    H    TRP  45           H        TRP  45   4.001  -3.357   4.602
  290    HA   TRP  45           HA       TRP  45   5.380  -4.035   2.068
  291   1HB   TRP  45          2HB       TRP  45   2.595  -4.926   2.646
  292   2HB   TRP  45          1HB       TRP  45   3.504  -5.258   1.197
  293    HD1  TRP  45           HD1      TRP  45   4.030  -6.200   5.035
  294    HE1  TRP  45           HE1      TRP  45   4.703  -8.624   4.956
  295    HE3  TRP  45           HE3      TRP  45   4.067  -6.989   0.060
  296    HZ2  TRP  45           HZ2      TRP  45   5.192 -10.742   3.076
  297    HZ3  TRP  45           HZ3      TRP  45   4.632  -9.207  -0.878
  298    HH2  TRP  45           HH2      TRP  45   5.203 -11.074   0.629
  299    H    CYS  46           H        CYS  46   4.381  -3.047   0.288
  300    HA   CYS  46           HA       CYS  46   2.577  -0.756   0.876
  301   1HB   CYS  46          2HB       CYS  46   4.975  -1.200  -0.777
  302   2HB   CYS  46          1HB       CYS  46   3.850  -0.065  -1.398
  303    H    CYS  47           H        CYS  47   0.613  -1.090   0.127
  304    HA   CYS  47           HA       CYS  47   0.213  -2.302  -2.536
  305   1HB   CYS  47          2HB       CYS  47  -0.119  -4.015  -0.645
  306   2HB   CYS  47          1HB       CYS  47  -1.495  -3.072  -0.140
  307    H    LYS  48           H        LYS  48  -2.503  -2.240  -2.641
  308    HA   LYS  48           HA       LYS  48  -3.496   0.371  -1.716
  309   1HB   LYS  48          2HB       LYS  48  -2.360   0.910  -3.879
  310   2HB   LYS  48          1HB       LYS  48  -3.317  -0.308  -4.700
  311   1HG   LYS  48          2HG       LYS  48  -4.238   1.974  -5.062
  312   2HG   LYS  48          1HG       LYS  48  -5.406   0.999  -4.203
  313   1HD   LYS  48          2HD       LYS  48  -4.743   2.120  -2.030
  314   2HD   LYS  48          1HD       LYS  48  -3.416   2.886  -2.844
  315   1HE   LYS  48          2HE       LYS  48  -5.194   4.504  -2.467
  316   2HE   LYS  48          1HE       LYS  48  -4.894   4.283  -4.176
  317   1HZ   LYS  48          3HZ       LYS  48  -6.819   2.387  -3.362
  318   2HZ   LYS  48          2HZ       LYS  48  -7.304   3.877  -2.772
  319   3HZ   LYS  48          1HZ       LYS  48  -7.022   3.646  -4.433
  320    H    GLN  49           H        GLN  49  -5.811   0.501  -1.849
  321    HA   GLN  49           HA       GLN  49  -7.172  -1.963  -2.084
  322   1HB   GLN  49          2HB       GLN  49  -6.959  -0.157  -0.024
  323   2HB   GLN  49          1HB       GLN  49  -8.190   0.680  -0.952
  324   1HG   GLN  49          2HG       GLN  49  -9.314  -1.338  -1.220
  325   2HG   GLN  49          1HG       GLN  49  -8.141  -2.121  -0.121
  326   1HE2  GLN  49          2HE2      GLN  49 -10.798  -1.386   2.258
  327   2HE2  GLN  49          1HE2      GLN  49 -10.313  -2.583   1.144
   
  No H/Q in entry =         327
  Start of MODEL          18
 Raw file had  333 H/Q atoms
  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1  -2.996   5.071   8.972
    2   2H    GLY   1          3H        GLY   1  -4.068   3.761   8.873
    3   3H    GLY   1          2H        GLY   1  -3.025   3.901  10.210
    4   1HA   GLY   1          2HA       GLY   1  -1.413   2.789   9.119
    5   2HA   GLY   1          1HA       GLY   1  -2.506   2.641   7.721
    6    H    VAL   2           H        VAL   2  -0.045   3.049   6.840
    7    HA   VAL   2           HA       VAL   2   0.144   5.978   6.250
    8    HB   VAL   2           HB       VAL   2   2.461   3.981   6.476
    9   1HG1  VAL   2          1HG1      VAL   2   2.499   7.027   6.296
   10   2HG1  VAL   2          3HG1      VAL   2   3.901   6.000   6.523
   11   3HG1  VAL   2          2HG1      VAL   2   3.007   5.914   5.029
   12   1HG2  VAL   2          3HG2      VAL   2   1.554   6.053   8.530
   13   2HG2  VAL   2          2HG2      VAL   2   1.465   4.309   8.726
   14   3HG2  VAL   2          1HG2      VAL   2   3.024   5.095   8.633
   15    H    SER   3           H        SER   3   1.213   6.323   4.137
   16    HA   SER   3           HA       SER   3   0.563   4.157   2.221
   17   1HB   SER   3          2HB       SER   3   0.212   7.152   1.988
   18   2HB   SER   3          1HB       SER   3  -0.032   6.047   0.665
   19    HG   SER   3           HG       SER   3  -1.778   5.394   1.520
   20    H    CYS   4           H        CYS   4   1.411   4.615   0.043
   21    HA   CYS   4           HA       CYS   4   4.197   5.614   0.080
   22   1HB   CYS   4          2HB       CYS   4   4.022   2.950  -1.182
   23   2HB   CYS   4          1HB       CYS   4   5.252   3.623  -0.156
   24    H    LEU   5           H        LEU   5   5.264   5.426  -2.045
   25    HA   LEU   5           HA       LEU   5   3.569   6.375  -4.170
   26   1HB   LEU   5          2HB       LEU   5   6.057   7.013  -3.344
   27   2HB   LEU   5          1HB       LEU   5   6.518   5.731  -4.455
   28    HG   LEU   5           HG       LEU   5   4.732   8.007  -4.991
   29   1HD1  LEU   5          2HD1      LEU   5   7.059   8.828  -4.668
   30   2HD1  LEU   5          1HD1      LEU   5   7.664   7.615  -5.795
   31   3HD1  LEU   5          3HD1      LEU   5   6.683   8.949  -6.381
   32   1HD2  LEU   5          3HD2      LEU   5   5.983   5.998  -6.962
   33   2HD2  LEU   5          2HD2      LEU   5   4.268   6.153  -6.603
   34   3HD2  LEU   5          1HD2      LEU   5   5.090   7.415  -7.479
   35    H    CYS   6           H        CYS   6   2.414   4.807  -5.274
   36    HA   CYS   6           HA       CYS   6   3.641   2.167  -5.623
   37   1HB   CYS   6          2HB       CYS   6   0.932   3.147  -6.473
   38   2HB   CYS   6          1HB       CYS   6   1.507   1.536  -6.507
   39    H    ASP   7           H        ASP   7   3.565   1.103  -7.666
   40    HA   ASP   7           HA       ASP   7   4.966   2.532  -9.708
   41   1HB   ASP   7          2HB       ASP   7   3.946  -0.245  -9.274
   42   2HB   ASP   7          1HB       ASP   7   4.301   0.276 -10.900
   43    H    SER   8           H        SER   8   2.181   3.314  -9.225
   44    HA   SER   8           HA       SER   8   1.432   3.783 -12.053
   45   1HB   SER   8          2HB       SER   8  -0.498   2.500 -10.043
   46   2HB   SER   8          1HB       SER   8  -0.937   3.055 -11.665
   47    HG   SER   8           HG       SER   8   1.310   1.617 -11.898
   48    H    ASP   9           H        ASP   9   2.281   5.253  -9.531
   49    HA   ASP   9           HA       ASP   9   0.028   7.142  -9.181
   50   1HB   ASP   9          2HB       ASP   9   2.865   7.143  -7.966
   51   2HB   ASP   9          1HB       ASP   9   1.564   8.179  -7.424
   52    H    GLY  10           H        GLY  10   2.019   9.302  -8.785
   53   1HA   GLY  10          2HA       GLY  10   3.324   9.939 -11.216
   54   2HA   GLY  10          1HA       GLY  10   1.776  10.820 -11.032
   55    HA   PRO  11           HA       PRO  11   5.161  12.325  -8.004
   56   1HB   PRO  11          2HB       PRO  11   6.745  14.060  -9.278
   57   2HB   PRO  11          1HB       PRO  11   6.957  12.317  -9.505
   58   1HG   PRO  11          2HG       PRO  11   5.330  14.260 -11.243
   59   2HG   PRO  11          1HG       PRO  11   6.604  13.158 -11.776
   60   1HD   PRO  11          2HD       PRO  11   3.929  12.450 -11.902
   61   2HD   PRO  11          1HD       PRO  11   5.183  11.236 -11.564
   62    H    SER  12           H        SER  12   4.828  14.098  -6.586
   63    HA   SER  12           HA       SER  12   3.660  16.602  -7.614
   64   1HB   SER  12          2HB       SER  12   1.614  16.482  -6.253
   65   2HB   SER  12          1HB       SER  12   1.691  14.944  -7.096
   66    HG   SER  12           HG       SER  12   2.898  14.226  -5.120
   67    H    VAL  13           H        VAL  13   3.141  17.704  -5.128
   68    HA   VAL  13           HA       VAL  13   5.840  18.196  -4.237
   69    HB   VAL  13           HB       VAL  13   4.726  19.635  -2.453
   70   1HG1  VAL  13          1HG1      VAL  13   5.117  20.538  -4.732
   71   2HG1  VAL  13          3HG1      VAL  13   3.564  19.926  -5.264
   72   3HG1  VAL  13          2HG1      VAL  13   3.643  21.189  -4.052
   73   1HG2  VAL  13          2HG2      VAL  13   2.723  18.212  -2.020
   74   2HG2  VAL  13          1HG2      VAL  13   2.264  19.853  -2.431
   75   3HG2  VAL  13          3HG2      VAL  13   2.100  18.576  -3.620
   76    H    ARG  14           H        ARG  14   6.291  18.213  -1.769
   77    HA   ARG  14           HA       ARG  14   6.324  15.415  -0.966
   78   1HB   ARG  14          2HB       ARG  14   7.205  17.970   0.499
   79   2HB   ARG  14          1HB       ARG  14   7.498  16.374   1.134
   80   1HG   ARG  14          2HG       ARG  14   8.459  16.847  -1.672
   81   2HG   ARG  14          1HG       ARG  14   9.285  17.746  -0.417
   82   1HD   ARG  14          2HD       ARG  14  10.437  15.585  -0.880
   83   2HD   ARG  14          1HD       ARG  14   9.865  15.656   0.776
   84    HE   ARG  14           HE       ARG  14   7.856  14.445  -0.910
   85   1HH1  ARG  14          1HH2      ARG  14   9.355  13.642   1.746
   86   2HH1  ARG  14          2HH2      ARG  14   9.857  12.048   1.352
   87   1HH2  ARG  14          2HH1      ARG  14   9.145  12.649  -2.102
   88   2HH2  ARG  14          1HH1      ARG  14   9.672  11.412  -1.022
   89    H    GLY  15           H        GLY  15   5.642  14.863   1.328
   90   1HA   GLY  15          2HA       GLY  15   3.828  14.650   2.884
   91   2HA   GLY  15          1HA       GLY  15   3.492  16.360   2.565
   92    H    ASN  16           H        ASN  16   3.783  14.383  -0.111
   93    HA   ASN  16           HA       ASN  16   1.095  13.435  -0.528
   94   1HB   ASN  16          2HB       ASN  16   0.945  15.970  -1.050
   95   2HB   ASN  16          1HB       ASN  16   2.167  15.716  -2.293
   96   1HD2  ASN  16          2HD2      ASN  16  -0.849  15.425  -4.248
   97   2HD2  ASN  16          1HD2      ASN  16   0.278  16.573  -3.692
   98    H    THR  17           H        THR  17   1.288  12.774  -3.084
   99    HA   THR  17           HA       THR  17   2.428  11.720  -4.806
  100    HB   THR  17           HB       THR  17   5.042  12.014  -3.280
  101    HG1  THR  17           HG1      THR  17   4.564  14.168  -3.570
  102   1HG2  THR  17          1HG2      THR  17   4.247  12.030  -6.242
  103   2HG2  THR  17          3HG2      THR  17   5.915  12.152  -5.660
  104   3HG2  THR  17          2HG2      THR  17   5.001  10.663  -5.447
  105    H    LEU  18           H        LEU  18   1.264  10.392  -2.851
  106    HA   LEU  18           HA       LEU  18   2.506   7.680  -2.880
  107   1HB   LEU  18          2HB       LEU  18   2.363   7.338  -0.526
  108   2HB   LEU  18          1HB       LEU  18   3.357   8.738  -0.801
  109    HG   LEU  18           HG       LEU  18   0.508   8.612   0.161
  110   1HD1  LEU  18          2HD1      LEU  18   2.296   8.095   1.827
  111   2HD1  LEU  18          1HD1      LEU  18   3.101   9.601   1.447
  112   3HD1  LEU  18          3HD1      LEU  18   1.532   9.622   2.243
  113   1HD2  LEU  18          2HD2      LEU  18   2.146  11.121  -0.382
  114   2HD2  LEU  18          1HD2      LEU  18   0.640  10.655  -1.181
  115   3HD2  LEU  18          3HD2      LEU  18   0.620  11.092   0.499
  116    H    SER  19           H        SER  19   0.926   6.623  -3.928
  117    HA   SER  19           HA       SER  19  -1.900   7.257  -3.186
  118   1HB   SER  19          2HB       SER  19  -1.114   7.442  -5.626
  119   2HB   SER  19          1HB       SER  19  -1.024   5.676  -5.627
  120    HG   SER  19           HG       SER  19  -3.224   5.867  -4.564
  121    H    GLY  20           H        GLY  20   0.362   4.859  -2.532
  122   1HA   GLY  20          2HA       GLY  20  -1.620   2.755  -2.445
  123   2HA   GLY  20          1HA       GLY  20   0.072   2.548  -2.062
  124    H    THR  21           H        THR  21  -0.785   1.383  -0.139
  125    HA   THR  21           HA       THR  21  -0.933   3.042   2.186
  126    HB   THR  21           HB       THR  21  -2.764   0.671   1.904
  127    HG1  THR  21           HG1      THR  21  -3.039   3.239   0.873
  128   1HG2  THR  21          1HG2      THR  21  -2.878   3.171   3.671
  129   2HG2  THR  21          3HG2      THR  21  -3.958   1.784   3.771
  130   3HG2  THR  21          2HG2      THR  21  -2.270   1.612   4.212
  131    H    LEU  22           H        LEU  22   0.120   1.863   3.686
  132    HA   LEU  22           HA       LEU  22   1.405  -0.633   2.752
  133   1HB   LEU  22          2HB       LEU  22   2.996   0.971   3.136
  134   2HB   LEU  22          1HB       LEU  22   2.293   1.595   4.620
  135    HG   LEU  22           HG       LEU  22   3.315  -1.282   4.489
  136   1HD1  LEU  22          3HD1      LEU  22   5.070   1.180   4.946
  137   2HD1  LEU  22          2HD1      LEU  22   5.577  -0.492   5.120
  138   3HD1  LEU  22          1HD1      LEU  22   5.141   0.134   3.540
  139   1HD2  LEU  22          2HD2      LEU  22   3.328   0.890   6.646
  140   2HD2  LEU  22          1HD2      LEU  22   2.156  -0.414   6.569
  141   3HD2  LEU  22          3HD2      LEU  22   3.857  -0.765   6.834
  142    H    TRP  23           H        TRP  23   1.435  -2.321   3.929
  143    HA   TRP  23           HA       TRP  23  -0.398  -2.505   6.265
  144   1HB   TRP  23          2HB       TRP  23   0.015  -4.314   3.831
  145   2HB   TRP  23          1HB       TRP  23  -0.736  -4.958   5.290
  146    HD1  TRP  23           HD1      TRP  23  -1.544  -2.501   2.320
  147    HE1  TRP  23           HE1      TRP  23  -3.882  -1.736   2.711
  148    HE3  TRP  23           HE3      TRP  23  -2.394  -4.476   6.923
  149    HZ2  TRP  23           HZ2      TRP  23  -5.934  -1.815   4.653
  150    HZ3  TRP  23           HZ3      TRP  23  -4.582  -4.029   8.027
  151    HH2  TRP  23           HH2      TRP  23  -6.331  -2.732   6.894
  152    H    LEU  24           H        LEU  24   0.375  -3.388   7.994
  153    HA   LEU  24           HA       LEU  24   3.225  -4.072   8.182
  154   1HB   LEU  24          2HB       LEU  24   1.274  -4.192  10.516
  155   2HB   LEU  24          1HB       LEU  24   2.975  -3.802  10.525
  156    HG   LEU  24           HG       LEU  24   0.828  -2.048   9.312
  157   1HD1  LEU  24          2HD1      LEU  24   0.679  -2.124  11.802
  158   2HD1  LEU  24          1HD1      LEU  24   2.388  -1.735  11.927
  159   3HD1  LEU  24          3HD1      LEU  24   1.262  -0.556  11.282
  160   1HD2  LEU  24          1HD2      LEU  24   3.088  -1.829   8.293
  161   2HD2  LEU  24          3HD2      LEU  24   2.689  -0.367   9.184
  162   3HD2  LEU  24          2HD2      LEU  24   3.799  -1.546   9.861
  163    H    TYR  25           H        TYR  25   0.309  -5.398   7.927
  164    HA   TYR  25           HA       TYR  25   0.344  -7.878   9.247
  165   1HB   TYR  25          2HB       TYR  25  -0.781  -7.161   6.510
  166   2HB   TYR  25          1HB       TYR  25  -1.215  -8.605   7.303
  167    HD1  TYR  25           HD1      TYR  25  -0.906  -6.125   9.900
  168    HD2  TYR  25           HD2      TYR  25  -3.471  -7.597   6.818
  169    HE1  TYR  25           HE1      TYR  25  -2.841  -5.143  11.023
  170    HE2  TYR  25           HE2      TYR  25  -5.387  -6.614   7.953
  171    HH   TYR  25           HH       TYR  25  -6.083  -5.712   9.921
  172    HA   PRO  26           HA       PRO  26   3.826  -9.660   7.646
  173   1HB   PRO  26          2HB       PRO  26   3.520 -12.344   8.158
  174   2HB   PRO  26          1HB       PRO  26   3.663 -11.161   9.462
  175   1HG   PRO  26          2HG       PRO  26   1.083 -12.286   8.223
  176   2HG   PRO  26          1HG       PRO  26   1.516 -12.212   9.934
  177   1HD   PRO  26          2HD       PRO  26  -0.046 -10.265   8.833
  178   2HD   PRO  26          1HD       PRO  26   1.190  -9.831  10.037
  179    H    SER  27           H        SER  27   1.017 -10.249   6.144
  180    HA   SER  27           HA       SER  27   2.379 -11.459   3.750
  181   1HB   SER  27          2HB       SER  27   0.136 -12.307   3.135
  182   2HB   SER  27          1HB       SER  27   0.660 -12.993   4.686
  183    HG   SER  27           HG       SER  27  -1.319 -11.100   4.180
  184    H    GLY  28           H        GLY  28   1.788  -8.704   4.843
  185   1HA   GLY  28          2HA       GLY  28   1.404  -6.623   3.997
  186   2HA   GLY  28          1HA       GLY  28   1.558  -7.370   2.427
  187    H    CYS  29           H        CYS  29   0.142  -7.013   1.217
  188    HA   CYS  29           HA       CYS  29  -2.099  -5.609   1.557
  189   1HB   CYS  29          2HB       CYS  29  -0.867  -6.477  -0.617
  190   2HB   CYS  29          1HB       CYS  29  -2.218  -7.591  -0.639
  191    HA   PRO  30           HA       PRO  30  -4.756  -8.748   3.360
  192   1HB   PRO  30          2HB       PRO  30  -6.622  -7.083   4.436
  193   2HB   PRO  30          1HB       PRO  30  -5.016  -7.295   5.134
  194   1HG   PRO  30          2HG       PRO  30  -6.010  -4.949   3.483
  195   2HG   PRO  30          1HG       PRO  30  -4.855  -5.016   4.796
  196   1HD   PRO  30          2HD       PRO  30  -4.255  -5.005   2.014
  197   2HD   PRO  30          1HD       PRO  30  -3.103  -5.324   3.337
  198    H    SER  31           H        SER  31  -6.097  -9.821   2.359
  199    HA   SER  31           HA       SER  31  -7.132  -9.561  -0.150
  200   1HB   SER  31          2HB       SER  31  -8.857 -11.411   0.786
  201   2HB   SER  31          1HB       SER  31  -7.135 -11.789   0.978
  202    HG   SER  31           HG       SER  31  -8.593 -10.221   2.839
  203    H    GLY  32           H        GLY  32  -8.147  -8.011  -0.765
  204   1HA   GLY  32          2HA       GLY  32 -10.609  -7.143  -0.897
  205   2HA   GLY  32          1HA       GLY  32 -10.228  -6.569   0.749
  206    H    TRP  33           H        TRP  33  -7.293  -6.641  -0.531
  207    HA   TRP  33           HA       TRP  33  -7.283  -3.953  -1.627
  208   1HB   TRP  33          2HB       TRP  33  -5.333  -5.623   0.104
  209   2HB   TRP  33          1HB       TRP  33  -4.804  -4.184  -0.718
  210    HD1  TRP  33           HD1      TRP  33  -7.773  -5.048   1.700
  211    HE1  TRP  33           HE1      TRP  33  -8.055  -2.884   2.975
  212    HE3  TRP  33           HE3      TRP  33  -4.172  -2.304  -0.454
  213    HZ2  TRP  33           HZ2      TRP  33  -6.862  -0.182   3.094
  214    HZ3  TRP  33           HZ3      TRP  33  -3.729  -0.013   0.183
  215    HH2  TRP  33           HH2      TRP  33  -5.027   1.057   1.916
  216    H    HIS  34           H        HIS  34  -4.724  -4.308  -2.687
  217    HA   HIS  34           HA       HIS  34  -4.937  -6.579  -4.451
  218   1HB   HIS  34          2HB       HIS  34  -4.878  -3.642  -5.311
  219   2HB   HIS  34          1HB       HIS  34  -4.608  -4.961  -6.455
  220    HD1  HIS  34           HD1      HIS  34  -7.377  -3.096  -5.020
  221    HD2  HIS  34           HD2      HIS  34  -6.842  -6.907  -6.394
  222    HE1  HIS  34           HE1      HIS  34  -9.612  -3.999  -5.430
  223    H    ASN  35           H        ASN  35  -2.895  -4.241  -5.560
  224    HA   ASN  35           HA       ASN  35  -0.564  -4.742  -3.938
  225   1HB   ASN  35          2HB       ASN  35   0.734  -5.871  -5.839
  226   2HB   ASN  35          1HB       ASN  35  -0.542  -6.882  -5.186
  227   1HD2  ASN  35          2HD2      ASN  35  -0.626  -6.576  -9.006
  228   2HD2  ASN  35          1HD2      ASN  35   0.740  -6.686  -7.997
  229    H    CYS  36           H        CYS  36   1.109  -3.268  -4.648
  230    HA   CYS  36           HA       CYS  36   0.442  -1.484  -6.943
  231   1HB   CYS  36          2HB       CYS  36  -0.124   0.354  -5.732
  232   2HB   CYS  36          1HB       CYS  36  -0.566  -0.819  -4.539
  233    H    LYS  37           H        LYS  37   2.563  -2.328  -4.355
  234    HA   LYS  37           HA       LYS  37   4.904  -1.350  -5.792
  235   1HB   LYS  37          2HB       LYS  37   4.071  -1.561  -2.915
  236   2HB   LYS  37          1HB       LYS  37   5.764  -1.564  -3.121
  237   1HG   LYS  37          2HG       LYS  37   3.894   0.697  -3.968
  238   2HG   LYS  37          1HG       LYS  37   4.918   0.691  -2.557
  239   1HD   LYS  37          2HD       LYS  37   6.210   1.923  -3.937
  240   2HD   LYS  37          1HD       LYS  37   6.929   0.349  -4.005
  241   1HE   LYS  37          2HE       LYS  37   6.527   0.049  -6.187
  242   2HE   LYS  37          1HE       LYS  37   4.869   0.592  -6.083
  243   1HZ   LYS  37          2HZ       LYS  37   6.526   2.846  -5.769
  244   2HZ   LYS  37          1HZ       LYS  37   6.974   1.887  -7.173
  245   3HZ   LYS  37          3HZ       LYS  37   5.441   2.440  -6.996
  246    H    ALA  38           H        ALA  38   5.535  -2.964  -6.866
  247    HA   ALA  38           HA       ALA  38   5.185  -5.743  -5.958
  248   1HB   ALA  38          1HB       ALA  38   6.731  -4.638  -8.374
  249   2HB   ALA  38          3HB       ALA  38   6.348  -6.334  -8.115
  250   3HB   ALA  38          2HB       ALA  38   5.059  -5.175  -8.416
  251    H    HIS  39           H        HIS  39   7.151  -3.444  -5.003
  252    HA   HIS  39           HA       HIS  39   9.462  -5.265  -4.530
  253   1HB   HIS  39          2HB       HIS  39   9.419  -2.214  -4.860
  254   2HB   HIS  39          1HB       HIS  39  10.862  -3.151  -4.458
  255    HD1  HIS  39           HD1      HIS  39  10.894  -5.367  -6.360
  256    HD2  HIS  39           HD2      HIS  39   9.445  -1.729  -7.556
  257    HE1  HIS  39           HE1      HIS  39  11.019  -5.328  -8.823
  258    H    GLY  40           H        GLY  40   9.753  -2.392  -2.799
  259   1HA   GLY  40          2HA       GLY  40   8.959  -3.842  -0.338
  260   2HA   GLY  40          1HA       GLY  40  10.207  -2.627  -0.429
  261    HA   PRO  41           HA       PRO  41  10.531  -1.106   1.049
  262   1HB   PRO  41          2HB       PRO  41  10.046  -0.704   3.705
  263   2HB   PRO  41          1HB       PRO  41   9.812   0.580   2.513
  264   1HG   PRO  41          2HG       PRO  41   7.716  -1.374   3.601
  265   2HG   PRO  41          1HG       PRO  41   7.630   0.392   3.580
  266   1HD   PRO  41          2HD       PRO  41   6.461  -1.034   1.564
  267   2HD   PRO  41          1HD       PRO  41   7.341   0.456   1.163
  268    H    THR  42           H        THR  42  11.861  -2.489   2.679
  269    HA   THR  42           HA       THR  42  11.054  -5.242   2.383
  270    HB   THR  42           HB       THR  42  13.281  -4.491   4.338
  271    HG1  THR  42           HG1      THR  42  14.388  -3.471   2.765
  272   1HG2  THR  42          3HG2      THR  42  13.231  -6.135   1.734
  273   2HG2  THR  42          2HG2      THR  42  14.511  -6.150   2.938
  274   3HG2  THR  42          1HG2      THR  42  12.944  -6.847   3.313
  275    H    ILE  43           H        ILE  43  10.688  -2.853   4.766
  276    HA   ILE  43           HA       ILE  43   9.695  -4.786   6.797
  277    HB   ILE  43           HB       ILE  43  11.380  -3.326   7.724
  278   1HG1  ILE  43          2HG1      ILE  43  10.226  -1.947   9.416
  279   2HG1  ILE  43          1HG1      ILE  43   8.736  -2.032   8.504
  280   1HG2  ILE  43          3HG2      ILE  43   9.961  -0.937   6.476
  281   2HG2  ILE  43          2HG2      ILE  43  11.357  -0.839   7.529
  282   3HG2  ILE  43          1HG2      ILE  43  11.505  -1.598   5.962
  283   1HD1  ILE  43          2HD1      ILE  43  10.208  -4.421   9.721
  284   2HD1  ILE  43          1HD1      ILE  43   8.753  -3.683  10.362
  285   3HD1  ILE  43          3HD1      ILE  43   8.696  -4.529   8.832
  286    H    GLY  44           H        GLY  44   7.612  -5.190   6.372
  287   1HA   GLY  44          2HA       GLY  44   5.279  -4.656   6.501
  288   2HA   GLY  44          1HA       GLY  44   5.660  -2.945   6.234
  289    H    TRP  45           H        TRP  45   3.759  -3.592   4.520
  290    HA   TRP  45           HA       TRP  45   5.225  -4.176   1.962
  291   1HB   TRP  45          2HB       TRP  45   2.408  -5.126   2.482
  292   2HB   TRP  45          1HB       TRP  45   3.415  -5.500   1.113
  293    HD1  TRP  45           HD1      TRP  45   4.044  -6.129   5.001
  294    HE1  TRP  45           HE1      TRP  45   4.517  -8.583   5.132
  295    HE3  TRP  45           HE3      TRP  45   3.576  -7.393   0.152
  296    HZ2  TRP  45           HZ2      TRP  45   4.667 -10.931   3.428
  297    HZ3  TRP  45           HZ3      TRP  45   3.871  -9.725  -0.594
  298    HH2  TRP  45           HH2      TRP  45   4.417 -11.484   1.045
  299    H    CYS  46           H        CYS  46   4.661  -2.724   0.288
  300    HA   CYS  46           HA       CYS  46   2.550  -0.753   0.984
  301   1HB   CYS  46          2HB       CYS  46   4.912  -0.845  -0.871
  302   2HB   CYS  46          1HB       CYS  46   3.667   0.315  -1.172
  303    H    CYS  47           H        CYS  47   0.676  -0.764  -0.047
  304    HA   CYS  47           HA       CYS  47   0.343  -2.117  -2.637
  305   1HB   CYS  47          2HB       CYS  47   0.101  -3.789  -0.711
  306   2HB   CYS  47          1HB       CYS  47  -1.297  -2.877  -0.186
  307    H    LYS  48           H        LYS  48  -2.423  -2.093  -2.727
  308    HA   LYS  48           HA       LYS  48  -3.359   0.551  -1.824
  309   1HB   LYS  48          2HB       LYS  48  -3.947   1.289  -4.142
  310   2HB   LYS  48          1HB       LYS  48  -2.215   1.082  -4.058
  311   1HG   LYS  48          2HG       LYS  48  -2.369  -1.148  -5.165
  312   2HG   LYS  48          1HG       LYS  48  -4.085  -1.115  -5.090
  313   1HD   LYS  48          2HD       LYS  48  -2.502   1.010  -6.590
  314   2HD   LYS  48          1HD       LYS  48  -2.957  -0.494  -7.345
  315   1HE   LYS  48          2HE       LYS  48  -4.903   1.556  -6.136
  316   2HE   LYS  48          1HE       LYS  48  -4.617   1.292  -7.843
  317   1HZ   LYS  48          1HZ       LYS  48  -5.290  -1.192  -6.607
  318   2HZ   LYS  48          3HZ       LYS  48  -6.370  -0.117  -6.105
  319   3HZ   LYS  48          2HZ       LYS  48  -6.179  -0.342  -7.782
  320    H    GLN  49           H        GLN  49  -5.870   0.571  -2.363
  321    HA   GLN  49           HA       GLN  49  -6.659  -2.119  -2.054
  322   1HB   GLN  49          2HB       GLN  49  -7.554   0.384  -1.062
  323   2HB   GLN  49          1HB       GLN  49  -8.693   0.093  -2.386
  324   1HG   GLN  49          2HG       GLN  49  -8.664  -2.264  -1.617
  325   2HG   GLN  49          1HG       GLN  49  -7.895  -1.665  -0.147
  326   1HE2  GLN  49          2HE2      GLN  49 -11.607  -1.980   0.223
  327   2HE2  GLN  49          1HE2      GLN  49 -10.444  -3.047  -0.432
   
  No H/Q in entry =         327
  Start of MODEL          19
 Raw file had  333 H/Q atoms
  Start of MODEL   19
    1   1H    GLY   1          2H        GLY   1  -1.952   5.763  10.384
    2   2H    GLY   1          1H        GLY   1  -3.504   5.153  10.682
    3   3H    GLY   1          3H        GLY   1  -2.132   4.262  11.165
    4   1HA   GLY   1          2HA       GLY   1  -2.063   3.228   9.196
    5   2HA   GLY   1          1HA       GLY   1  -3.454   4.201   8.655
    6    H    VAL   2           H        VAL   2  -1.152   3.659   6.917
    7    HA   VAL   2           HA       VAL   2  -0.389   6.429   6.418
    8    HB   VAL   2           HB       VAL   2   1.347   6.003   7.797
    9   1HG1  VAL   2          2HG1      VAL   2   1.573   3.126   6.744
   10   2HG1  VAL   2          1HG1      VAL   2   2.628   3.820   7.969
   11   3HG1  VAL   2          3HG1      VAL   2   0.934   3.588   8.316
   12   1HG2  VAL   2          2HG2      VAL   2   2.336   6.690   5.658
   13   2HG2  VAL   2          1HG2      VAL   2   3.435   5.609   6.496
   14   3HG2  VAL   2          3HG2      VAL   2   2.481   5.017   5.152
   15    H    SER   3           H        SER   3  -0.312   6.878   4.441
   16    HA   SER   3           HA       SER   3  -1.000   5.002   2.384
   17   1HB   SER   3          2HB       SER   3  -0.089   7.894   1.974
   18   2HB   SER   3          1HB       SER   3  -1.227   6.942   1.001
   19    HG   SER   3           HG       SER   3  -2.684   7.610   2.347
   20    H    CYS   4           H        CYS   4   0.278   5.044   0.250
   21    HA   CYS   4           HA       CYS   4   3.181   5.372   0.389
   22   1HB   CYS   4          2HB       CYS   4   2.869   3.096   1.452
   23   2HB   CYS   4          1HB       CYS   4   2.041   2.564   0.000
   24    H    LEU   5           H        LEU   5   4.043   5.511  -1.740
   25    HA   LEU   5           HA       LEU   5   2.174   5.916  -3.905
   26   1HB   LEU   5          2HB       LEU   5   3.946   6.776  -4.999
   27   2HB   LEU   5          1HB       LEU   5   4.466   7.050  -3.371
   28    HG   LEU   5           HG       LEU   5   5.387   4.751  -5.145
   29   1HD1  LEU   5          1HD1      LEU   5   6.745   7.254  -4.151
   30   2HD1  LEU   5          3HD1      LEU   5   7.528   5.967  -5.072
   31   3HD1  LEU   5          2HD1      LEU   5   6.227   6.900  -5.797
   32   1HD2  LEU   5          2HD2      LEU   5   6.267   5.501  -2.310
   33   2HD2  LEU   5          1HD2      LEU   5   5.357   4.060  -2.730
   34   3HD2  LEU   5          3HD2      LEU   5   6.996   4.249  -3.303
   35    H    CYS   6           H        CYS   6   2.524   4.855  -5.963
   36    HA   CYS   6           HA       CYS   6   2.815   1.901  -5.564
   37   1HB   CYS   6          2HB       CYS   6   1.347   3.544  -7.659
   38   2HB   CYS   6          1HB       CYS   6   1.354   1.789  -7.599
   39    H    ASP   7           H        ASP   7   3.626   0.825  -7.805
   40    HA   ASP   7           HA       ASP   7   6.278   2.001  -8.258
   41   1HB   ASP   7          2HB       ASP   7   5.303  -0.610  -8.410
   42   2HB   ASP   7          1HB       ASP   7   5.411  -0.160 -10.108
   43    H    SER   8           H        SER   8   3.335   2.553  -9.605
   44    HA   SER   8           HA       SER   8   4.427   3.447 -12.213
   45   1HB   SER   8          2HB       SER   8   2.198   2.286 -12.253
   46   2HB   SER   8          1HB       SER   8   1.537   3.473 -11.116
   47    HG   SER   8           HG       SER   8   2.433   5.034 -12.836
   48    H    ASP   9           H        ASP   9   4.139   4.557  -9.086
   49    HA   ASP   9           HA       ASP   9   3.547   7.351  -9.813
   50   1HB   ASP   9          2HB       ASP   9   4.129   5.970  -7.167
   51   2HB   ASP   9          1HB       ASP   9   3.936   7.703  -7.307
   52    H    GLY  10           H        GLY  10   5.172   7.988 -11.005
   53   1HA   GLY  10          2HA       GLY  10   7.971   7.885  -9.948
   54   2HA   GLY  10          1HA       GLY  10   7.518   8.140 -11.642
   55    HA   PRO  11           HA       PRO  11   6.191  12.159  -9.495
   56   1HB   PRO  11          2HB       PRO  11   6.946  12.743  -6.947
   57   2HB   PRO  11          1HB       PRO  11   5.524  11.751  -7.282
   58   1HG   PRO  11          2HG       PRO  11   8.407  10.831  -6.718
   59   2HG   PRO  11          1HG       PRO  11   6.953  10.290  -5.870
   60   1HD   PRO  11          2HD       PRO  11   7.950   8.795  -7.932
   61   2HD   PRO  11          1HD       PRO  11   6.193   9.027  -7.762
   62    H    SER  12           H        SER  12   7.268  14.223  -8.701
   63    HA   SER  12           HA       SER  12   9.871  14.428 -10.025
   64   1HB   SER  12          2HB       SER  12   9.249  16.994  -9.546
   65   2HB   SER  12          1HB       SER  12   8.267  16.101 -10.721
   66    HG   SER  12           HG       SER  12   7.719  16.652  -7.978
   67    H    VAL  13           H        VAL  13  11.448  16.079  -9.005
   68    HA   VAL  13           HA       VAL  13  12.160  15.052  -6.389
   69    HB   VAL  13           HB       VAL  13  13.941  16.735  -6.492
   70   1HG1  VAL  13          1HG1      VAL  13  14.280  14.475  -7.479
   71   2HG1  VAL  13          3HG1      VAL  13  13.596  14.998  -9.005
   72   3HG1  VAL  13          2HG1      VAL  13  15.141  15.633  -8.472
   73   1HG2  VAL  13          2HG2      VAL  13  12.894  18.550  -7.912
   74   2HG2  VAL  13          1HG2      VAL  13  14.386  18.013  -8.630
   75   3HG2  VAL  13          3HG2      VAL  13  12.859  17.476  -9.291
   76    H    ARG  14           H        ARG  14  10.374  15.499  -5.395
   77    HA   ARG  14           HA       ARG  14   9.567  16.575  -3.382
   78   1HB   ARG  14          2HB       ARG  14  11.031  18.687  -3.905
   79   2HB   ARG  14          1HB       ARG  14   9.780  19.174  -5.033
   80   1HG   ARG  14          2HG       ARG  14   8.153  19.304  -3.200
   81   2HG   ARG  14          1HG       ARG  14   9.376  18.732  -2.063
   82   1HD   ARG  14          2HD       ARG  14  10.824  20.724  -2.607
   83   2HD   ARG  14          1HD       ARG  14   9.624  21.297  -3.757
   84    HE   ARG  14           HE       ARG  14   8.054  21.480  -1.726
   85   1HH1  ARG  14          1HH2      ARG  14   9.856  20.349   0.174
   86   2HH1  ARG  14          2HH2      ARG  14  10.600  21.681   0.982
   87   1HH2  ARG  14          2HH1      ARG  14   9.638  23.840  -1.702
   88   2HH2  ARG  14          1HH1      ARG  14  10.467  23.835  -0.199
   89    H    GLY  15           H        GLY  15   7.409  16.850  -3.132
   90   1HA   GLY  15          2HA       GLY  15   5.128  17.170  -3.842
   91   2HA   GLY  15          1HA       GLY  15   5.684  17.227  -5.527
   92    H    ASN  16           H        ASN  16   6.664  14.887  -3.125
   93    HA   ASN  16           HA       ASN  16   6.279  12.622  -4.771
   94   1HB   ASN  16          2HB       ASN  16   6.353  11.330  -2.552
   95   2HB   ASN  16          1HB       ASN  16   7.725  12.371  -2.854
   96   1HD2  ASN  16          2HD2      ASN  16   5.701  13.049   0.496
   97   2HD2  ASN  16          1HD2      ASN  16   5.625  11.556  -0.316
   98    H    THR  17           H        THR  17   4.657  11.178  -5.010
   99    HA   THR  17           HA       THR  17   2.078  11.902  -3.744
  100    HB   THR  17           HB       THR  17   2.028  12.135  -6.273
  101    HG1  THR  17           HG1      THR  17   0.087  11.421  -5.897
  102   1HG2  THR  17          3HG2      THR  17   3.700  10.240  -6.805
  103   2HG2  THR  17          2HG2      THR  17   2.473   9.105  -6.267
  104   3HG2  THR  17          1HG2      THR  17   2.182  10.102  -7.674
  105    H    LEU  18           H        LEU  18   0.877  10.205  -2.892
  106    HA   LEU  18           HA       LEU  18   2.013   7.509  -2.835
  107   1HB   LEU  18          2HB       LEU  18   2.098   7.436  -0.366
  108   2HB   LEU  18          1HB       LEU  18   3.282   8.497  -1.091
  109    HG   LEU  18           HG       LEU  18   0.639   9.548  -0.030
  110   1HD1  LEU  18          3HD1      LEU  18   1.914   8.272   1.775
  111   2HD1  LEU  18          2HD1      LEU  18   3.324   9.242   1.439
  112   3HD1  LEU  18          1HD1      LEU  18   1.886   9.993   2.115
  113   1HD2  LEU  18          3HD2      LEU  18   3.404  10.864  -0.359
  114   2HD2  LEU  18          2HD2      LEU  18   2.048  11.165  -1.417
  115   3HD2  LEU  18          1HD2      LEU  18   1.965  11.662   0.249
  116    H    SER  19           H        SER  19  -0.013   7.496  -4.049
  117    HA   SER  19           HA       SER  19  -2.583   7.756  -2.769
  118   1HB   SER  19          2HB       SER  19  -1.793   6.323  -5.342
  119   2HB   SER  19          1HB       SER  19  -3.463   6.596  -4.812
  120    HG   SER  19           HG       SER  19  -1.576   8.410  -5.725
  121    H    GLY  20           H        GLY  20  -0.420   4.994  -2.960
  122   1HA   GLY  20          2HA       GLY  20  -2.453   3.113  -2.311
  123   2HA   GLY  20          1HA       GLY  20  -0.728   2.780  -2.411
  124    H    THR  21           H        THR  21  -0.953   1.558  -0.304
  125    HA   THR  21           HA       THR  21  -0.519   3.225   1.946
  126    HB   THR  21           HB       THR  21  -2.639   1.013   1.934
  127    HG1  THR  21           HG1      THR  21  -2.812   3.607   1.188
  128   1HG2  THR  21          2HG2      THR  21  -1.637   1.486   4.236
  129   2HG2  THR  21          1HG2      THR  21  -2.169   3.153   4.059
  130   3HG2  THR  21          3HG2      THR  21  -3.345   1.857   4.111
  131    H    LEU  22           H        LEU  22   0.413   2.078   3.445
  132    HA   LEU  22           HA       LEU  22   1.867  -0.356   2.437
  133   1HB   LEU  22          2HB       LEU  22   3.260   1.422   3.086
  134   2HB   LEU  22          1HB       LEU  22   2.541   1.580   4.662
  135    HG   LEU  22           HG       LEU  22   3.528  -1.086   4.616
  136   1HD1  LEU  22          3HD1      LEU  22   5.446   0.698   3.088
  137   2HD1  LEU  22          2HD1      LEU  22   5.797  -0.921   3.640
  138   3HD1  LEU  22          1HD1      LEU  22   4.573  -0.661   2.409
  139   1HD2  LEU  22          1HD2      LEU  22   3.856   0.582   6.448
  140   2HD2  LEU  22          3HD2      LEU  22   5.354  -0.241   6.057
  141   3HD2  LEU  22          2HD2      LEU  22   5.069   1.392   5.477
  142    H    TRP  23           H        TRP  23   2.042  -2.088   3.651
  143    HA   TRP  23           HA       TRP  23   0.176  -2.403   5.954
  144   1HB   TRP  23          2HB       TRP  23   0.377  -4.063   3.417
  145   2HB   TRP  23          1HB       TRP  23  -0.174  -4.835   4.910
  146    HD1  TRP  23           HD1      TRP  23  -1.428  -2.409   2.170
  147    HE1  TRP  23           HE1      TRP  23  -3.725  -1.671   2.896
  148    HE3  TRP  23           HE3      TRP  23  -1.535  -4.304   6.840
  149    HZ2  TRP  23           HZ2      TRP  23  -5.460  -1.794   5.159
  150    HZ3  TRP  23           HZ3      TRP  23  -3.500  -3.962   8.287
  151    HH2  TRP  23           HH2      TRP  23  -5.468  -2.713   7.447
  152    H    LEU  24           H        LEU  24   0.988  -3.150   7.570
  153    HA   LEU  24           HA       LEU  24   3.760  -4.055   7.745
  154   1HB   LEU  24          2HB       LEU  24   1.957  -3.845  10.152
  155   2HB   LEU  24          1HB       LEU  24   3.653  -3.446  10.002
  156    HG   LEU  24           HG       LEU  24   1.391  -1.872   8.741
  157   1HD1  LEU  24          3HD1      LEU  24   3.122  -1.235  11.166
  158   2HD1  LEU  24          2HD1      LEU  24   1.954  -0.135  10.462
  159   3HD1  LEU  24          1HD1      LEU  24   1.415  -1.630  11.206
  160   1HD2  LEU  24          2HD2      LEU  24   4.363  -1.199   8.904
  161   2HD2  LEU  24          1HD2      LEU  24   3.495  -1.647   7.448
  162   3HD2  LEU  24          3HD2      LEU  24   3.108  -0.150   8.271
  163    H    TYR  25           H        TYR  25   0.788  -5.236   7.439
  164    HA   TYR  25           HA       TYR  25   0.818  -7.651   9.007
  165   1HB   TYR  25          2HB       TYR  25  -0.606  -6.954   6.382
  166   2HB   TYR  25          1HB       TYR  25  -0.828  -8.477   7.112
  167    HD1  TYR  25           HD1      TYR  25  -0.598  -6.216   9.894
  168    HD2  TYR  25           HD2      TYR  25  -3.209  -7.545   6.795
  169    HE1  TYR  25           HE1      TYR  25  -2.541  -5.517  11.212
  170    HE2  TYR  25           HE2      TYR  25  -5.135  -6.845   8.117
  171    HH   TYR  25           HH       TYR  25  -5.799  -5.647   9.921
  172    HA   PRO  26           HA       PRO  26   3.983  -9.711   7.364
  173   1HB   PRO  26          2HB       PRO  26   3.370 -12.391   7.432
  174   2HB   PRO  26          1HB       PRO  26   3.525 -11.432   8.907
  175   1HG   PRO  26          2HG       PRO  26   0.959 -12.063   7.335
  176   2HG   PRO  26          1HG       PRO  26   1.240 -12.290   9.062
  177   1HD   PRO  26          2HD       PRO  26  -0.008 -10.049   8.182
  178   2HD   PRO  26          1HD       PRO  26   1.182  -9.909   9.495
  179    H    SER  27           H        SER  27   1.283  -9.909   5.563
  180    HA   SER  27           HA       SER  27   2.864 -10.744   3.141
  181   1HB   SER  27          2HB       SER  27   0.738 -11.710   2.262
  182   2HB   SER  27          1HB       SER  27   1.294 -12.546   3.720
  183    HG   SER  27           HG       SER  27  -0.938 -10.984   3.398
  184    H    GLY  28           H        GLY  28   1.858  -8.212   4.535
  185   1HA   GLY  28          2HA       GLY  28   1.432  -6.044   3.767
  186   2HA   GLY  28          1HA       GLY  28   1.598  -6.705   2.154
  187    H    CYS  29           H        CYS  29   0.118  -6.510   1.009
  188    HA   CYS  29           HA       CYS  29  -2.248  -5.373   1.276
  189   1HB   CYS  29          2HB       CYS  29  -0.938  -6.311  -0.813
  190   2HB   CYS  29          1HB       CYS  29  -2.102  -7.611  -0.670
  191    HA   PRO  30           HA       PRO  30  -4.555  -8.615   3.433
  192   1HB   PRO  30          2HB       PRO  30  -6.500  -6.914   4.461
  193   2HB   PRO  30          1HB       PRO  30  -4.955  -7.228   5.249
  194   1HG   PRO  30          2HG       PRO  30  -5.791  -4.771   3.721
  195   2HG   PRO  30          1HG       PRO  30  -4.577  -4.946   4.968
  196   1HD   PRO  30          2HD       PRO  30  -4.123  -4.823   2.179
  197   2HD   PRO  30          1HD       PRO  30  -2.916  -5.222   3.424
  198    H    SER  31           H        SER  31  -5.801  -9.736   2.364
  199    HA   SER  31           HA       SER  31  -6.836  -9.460  -0.139
  200   1HB   SER  31          2HB       SER  31  -8.428 -11.455   0.672
  201   2HB   SER  31          1HB       SER  31  -6.728 -11.675   1.114
  202    HG   SER  31           HG       SER  31  -8.329 -10.093   2.790
  203    H    GLY  32           H        GLY  32  -7.900  -7.952  -0.769
  204   1HA   GLY  32          2HA       GLY  32 -10.368  -7.090  -0.865
  205   2HA   GLY  32          1HA       GLY  32 -10.007  -6.597   0.800
  206    H    TRP  33           H        TRP  33  -7.100  -6.536  -0.578
  207    HA   TRP  33           HA       TRP  33  -7.130  -3.801  -1.540
  208   1HB   TRP  33          2HB       TRP  33  -5.237  -5.486   0.211
  209   2HB   TRP  33          1HB       TRP  33  -4.664  -4.039  -0.564
  210    HD1  TRP  33           HD1      TRP  33  -7.559  -4.977   1.928
  211    HE1  TRP  33           HE1      TRP  33  -7.778  -2.863   3.348
  212    HE3  TRP  33           HE3      TRP  33  -4.198  -2.144  -0.319
  213    HZ2  TRP  33           HZ2      TRP  33  -6.578  -0.121   3.497
  214    HZ3  TRP  33           HZ3      TRP  33  -3.692   0.155   0.341
  215    HH2  TRP  33           HH2      TRP  33  -4.850   1.182   2.196
  216    H    HIS  34           H        HIS  34  -5.283  -3.721  -2.974
  217    HA   HIS  34           HA       HIS  34  -5.326  -5.813  -4.933
  218   1HB   HIS  34          2HB       HIS  34  -4.625  -2.910  -5.043
  219   2HB   HIS  34          1HB       HIS  34  -4.344  -3.947  -6.436
  220    HD1  HIS  34           HD1      HIS  34  -7.263  -2.586  -4.395
  221    HD2  HIS  34           HD2      HIS  34  -6.520  -4.778  -7.754
  222    HE1  HIS  34           HE1      HIS  34  -9.377  -2.753  -5.562
  223    H    ASN  35           H        ASN  35  -2.868  -3.603  -4.669
  224    HA   ASN  35           HA       ASN  35  -0.578  -4.480  -3.660
  225   1HB   ASN  35          2HB       ASN  35   0.656  -5.610  -5.491
  226   2HB   ASN  35          1HB       ASN  35  -0.707  -6.597  -4.985
  227   1HD2  ASN  35          2HD2      ASN  35  -2.341  -6.291  -8.138
  228   2HD2  ASN  35          1HD2      ASN  35  -2.540  -6.775  -6.514
  229    H    CYS  36           H        CYS  36   1.185  -3.127  -4.431
  230    HA   CYS  36           HA       CYS  36   0.671  -1.328  -6.719
  231   1HB   CYS  36          2HB       CYS  36   0.179  -0.470  -3.959
  232   2HB   CYS  36          1HB       CYS  36   1.414   0.504  -4.680
  233    H    LYS  37           H        LYS  37   2.846  -2.395  -4.166
  234    HA   LYS  37           HA       LYS  37   5.122  -1.591  -5.846
  235   1HB   LYS  37          2HB       LYS  37   4.770  -1.655  -2.863
  236   2HB   LYS  37          1HB       LYS  37   6.324  -1.276  -3.507
  237   1HG   LYS  37          2HG       LYS  37   3.802   0.392  -3.713
  238   2HG   LYS  37          1HG       LYS  37   5.295   0.820  -2.918
  239   1HD   LYS  37          2HD       LYS  37   4.940   0.559  -5.897
  240   2HD   LYS  37          1HD       LYS  37   5.012   2.049  -4.965
  241   1HE   LYS  37          2HE       LYS  37   7.369   1.258  -4.227
  242   2HE   LYS  37          1HE       LYS  37   7.228   0.076  -5.524
  243   1HZ   LYS  37          2HZ       LYS  37   6.477   2.633  -6.535
  244   2HZ   LYS  37          1HZ       LYS  37   7.983   2.746  -5.773
  245   3HZ   LYS  37          3HZ       LYS  37   7.747   1.573  -6.979
  246    H    ALA  38           H        ALA  38   5.089  -3.603  -6.794
  247    HA   ALA  38           HA       ALA  38   4.995  -6.120  -5.360
  248   1HB   ALA  38          1HB       ALA  38   4.282  -5.919  -7.745
  249   2HB   ALA  38          3HB       ALA  38   5.930  -5.493  -8.189
  250   3HB   ALA  38          2HB       ALA  38   5.580  -7.098  -7.577
  251    H    HIS  39           H        HIS  39   7.058  -4.403  -4.375
  252    HA   HIS  39           HA       HIS  39   9.372  -6.259  -4.713
  253   1HB   HIS  39          2HB       HIS  39   9.560  -3.214  -4.795
  254   2HB   HIS  39          1HB       HIS  39  10.903  -4.323  -4.803
  255    HD1  HIS  39           HD1      HIS  39  10.430  -6.214  -6.935
  256    HD2  HIS  39           HD2      HIS  39   8.918  -2.430  -7.356
  257    HE1  HIS  39           HE1      HIS  39  10.018  -5.877  -9.345
  258    H    GLY  40           H        GLY  40   7.545  -4.184  -2.601
  259   1HA   GLY  40          2HA       GLY  40   8.085  -5.343  -0.231
  260   2HA   GLY  40          1HA       GLY  40   9.524  -4.374  -0.488
  261    HA   PRO  41           HA       PRO  41  10.306  -2.677   0.296
  262   1HB   PRO  41          2HB       PRO  41  10.490  -1.234   2.655
  263   2HB   PRO  41          1HB       PRO  41  10.329  -0.468   1.078
  264   1HG   PRO  41          2HG       PRO  41   8.084  -1.127   3.045
  265   2HG   PRO  41          1HG       PRO  41   8.407   0.413   2.257
  266   1HD   PRO  41          2HD       PRO  41   6.568  -1.306   1.207
  267   2HD   PRO  41          1HD       PRO  41   7.627  -0.395   0.117
  268    H    THR  42           H        THR  42  11.687  -3.258   2.364
  269    HA   THR  42           HA       THR  42  10.819  -5.905   3.091
  270    HB   THR  42           HB       THR  42  13.209  -5.708   4.245
  271    HG1  THR  42           HG1      THR  42  13.888  -3.689   4.159
  272   1HG2  THR  42          2HG2      THR  42  12.959  -4.958   1.254
  273   2HG2  THR  42          1HG2      THR  42  14.338  -5.730   2.015
  274   3HG2  THR  42          3HG2      THR  42  12.837  -6.613   1.823
  275    H    ILE  43           H        ILE  43  10.318  -2.929   4.442
  276    HA   ILE  43           HA       ILE  43  10.195  -4.006   7.235
  277    HB   ILE  43           HB       ILE  43  11.304  -1.841   7.045
  278   1HG1  ILE  43          2HG1      ILE  43   8.520  -1.337   8.192
  279   2HG1  ILE  43          1HG1      ILE  43   9.774  -2.217   9.033
  280   1HG2  ILE  43          1HG2      ILE  43   8.775  -0.812   5.671
  281   2HG2  ILE  43          3HG2      ILE  43  10.149   0.178   6.112
  282   3HG2  ILE  43          2HG2      ILE  43  10.338  -1.056   4.902
  283   1HD1  ILE  43          2HD1      ILE  43  11.235  -0.186   8.941
  284   2HD1  ILE  43          1HD1      ILE  43   9.959   0.704   8.130
  285   3HD1  ILE  43          3HD1      ILE  43   9.726   0.138   9.769
  286    H    GLY  44           H        GLY  44   8.206  -3.041   4.608
  287   1HA   GLY  44          2HA       GLY  44   5.821  -4.228   5.752
  288   2HA   GLY  44          1HA       GLY  44   5.715  -2.460   5.625
  289    H    TRP  45           H        TRP  45   4.202  -4.359   4.011
  290    HA   TRP  45           HA       TRP  45   5.496  -4.237   1.339
  291   1HB   TRP  45          2HB       TRP  45   2.710  -5.131   1.926
  292   2HB   TRP  45          1HB       TRP  45   3.683  -5.574   0.550
  293    HD1  TRP  45           HD1      TRP  45   3.836  -6.250   4.492
  294    HE1  TRP  45           HE1      TRP  45   4.566  -8.631   4.644
  295    HE3  TRP  45           HE3      TRP  45   4.514  -7.321  -0.385
  296    HZ2  TRP  45           HZ2      TRP  45   5.343 -10.842   2.982
  297    HZ3  TRP  45           HZ3      TRP  45   5.262  -9.565  -1.104
  298    HH2  TRP  45           HH2      TRP  45   5.685 -11.321   0.581
  299    H    CYS  46           H        CYS  46   4.714  -2.805  -0.296
  300    HA   CYS  46           HA       CYS  46   2.706  -0.801   0.680
  301   1HB   CYS  46          2HB       CYS  46   5.099  -0.862  -1.054
  302   2HB   CYS  46          1HB       CYS  46   3.872   0.213  -1.626
  303    H    CYS  47           H        CYS  47   0.680  -1.113   0.021
  304    HA   CYS  47           HA       CYS  47   0.064  -2.209  -2.682
  305   1HB   CYS  47          2HB       CYS  47  -0.306  -3.885  -0.741
  306   2HB   CYS  47          1HB       CYS  47  -1.574  -2.826  -0.169
  307    H    LYS  48           H        LYS  48  -2.691  -2.001  -2.546
  308    HA   LYS  48           HA       LYS  48  -3.462   0.704  -1.677
  309   1HB   LYS  48          2HB       LYS  48  -4.170   1.494  -3.880
  310   2HB   LYS  48          1HB       LYS  48  -2.533   0.960  -4.145
  311   1HG   LYS  48          2HG       LYS  48  -3.262  -1.073  -5.228
  312   2HG   LYS  48          1HG       LYS  48  -4.929  -0.899  -4.700
  313   1HD   LYS  48          2HD       LYS  48  -4.880   1.342  -6.095
  314   2HD   LYS  48          1HD       LYS  48  -3.459   0.631  -6.830
  315   1HE   LYS  48          2HE       LYS  48  -5.383   0.039  -8.206
  316   2HE   LYS  48          1HE       LYS  48  -4.836  -1.429  -7.423
  317   1HZ   LYS  48          3HZ       LYS  48  -6.723  -0.181  -5.723
  318   2HZ   LYS  48          2HZ       LYS  48  -7.407  -0.281  -7.261
  319   3HZ   LYS  48          1HZ       LYS  48  -6.874  -1.660  -6.454
  320    H    GLN  49           H        GLN  49  -5.845   0.812  -1.621
  321    HA   GLN  49           HA       GLN  49  -6.973  -1.638  -1.067
  322   1HB   GLN  49          2HB       GLN  49  -7.352   1.081  -0.439
  323   2HB   GLN  49          1HB       GLN  49  -8.635   0.807  -1.626
  324   1HG   GLN  49          2HG       GLN  49  -9.268  -1.104  -0.557
  325   2HG   GLN  49          1HG       GLN  49  -8.003  -1.002   0.665
  326   1HE2  GLN  49          2HE2      GLN  49 -11.024   0.254   2.344
  327   2HE2  GLN  49          1HE2      GLN  49 -10.533  -1.220   1.657
   
  No H/Q in entry =         327
  Start of MODEL          20
 Raw file had  333 H/Q atoms
  Start of MODEL   20
    1   1H    GLY   1          3H        GLY   1  -2.637   2.479   7.900
    2   2H    GLY   1          2H        GLY   1  -2.677   0.829   7.479
    3   3H    GLY   1          1H        GLY   1  -2.509   1.289   9.109
    4   1HA   GLY   1          2HA       GLY   1  -0.291   1.416   8.913
    5   2HA   GLY   1          1HA       GLY   1  -0.457   0.850   7.230
    6    H    VAL   2           H        VAL   2   1.467   2.594   7.191
    7    HA   VAL   2           HA       VAL   2   0.386   5.355   7.002
    8    HB   VAL   2           HB       VAL   2   3.208   4.194   6.544
    9   1HG1  VAL   2          3HG1      VAL   2   2.399   7.136   6.707
   10   2HG1  VAL   2          2HG1      VAL   2   4.033   6.518   6.576
   11   3HG1  VAL   2          1HG1      VAL   2   2.912   6.291   5.253
   12   1HG2  VAL   2          1HG2      VAL   2   2.514   4.127   8.957
   13   2HG2  VAL   2          3HG2      VAL   2   3.808   5.280   8.697
   14   3HG2  VAL   2          2HG2      VAL   2   2.165   5.848   8.926
   15    H    SER   3           H        SER   3   0.591   6.412   4.890
   16    HA   SER   3           HA       SER   3  -0.317   4.670   2.811
   17   1HB   SER   3          2HB       SER   3   0.674   7.484   2.538
   18   2HB   SER   3          1HB       SER   3  -0.417   6.654   1.420
   19    HG   SER   3           HG       SER   3  -1.993   6.619   2.888
   20    H    CYS   4           H        CYS   4   0.820   4.673   0.629
   21    HA   CYS   4           HA       CYS   4   3.719   5.001   0.586
   22   1HB   CYS   4          2HB       CYS   4   3.443   2.792   1.750
   23   2HB   CYS   4          1HB       CYS   4   2.562   2.192   0.366
   24    H    LEU   5           H        LEU   5   4.088   5.748  -1.422
   25    HA   LEU   5           HA       LEU   5   2.208   5.670  -3.507
   26   1HB   LEU   5          2HB       LEU   5   5.106   6.455  -3.192
   27   2HB   LEU   5          1HB       LEU   5   4.603   6.140  -4.826
   28    HG   LEU   5           HG       LEU   5   3.156   8.108  -2.963
   29   1HD1  LEU   5          2HD1      LEU   5   5.465   8.911  -3.620
   30   2HD1  LEU   5          1HD1      LEU   5   5.050   8.649  -5.305
   31   3HD1  LEU   5          3HD1      LEU   5   4.199   9.864  -4.369
   32   1HD2  LEU   5          2HD2      LEU   5   2.950   7.481  -5.933
   33   2HD2  LEU   5          1HD2      LEU   5   1.727   7.105  -4.770
   34   3HD2  LEU   5          3HD2      LEU   5   2.061   8.761  -5.185
   35    H    CYS   6           H        CYS   6   2.588   4.832  -5.622
   36    HA   CYS   6           HA       CYS   6   3.210   1.927  -5.535
   37   1HB   CYS   6          2HB       CYS   6   1.674   3.511  -7.584
   38   2HB   CYS   6          1HB       CYS   6   1.695   1.768  -7.386
   39    H    ASP   7           H        ASP   7   4.169   0.851  -7.365
   40    HA   ASP   7           HA       ASP   7   6.533   2.247  -8.327
   41   1HB   ASP   7          2HB       ASP   7   5.413  -0.533  -8.585
   42   2HB   ASP   7          1HB       ASP   7   6.686   0.039  -9.653
   43    H    SER   8           H        SER   8   4.165   3.202  -9.212
   44    HA   SER   8           HA       SER   8   4.559   3.403 -12.179
   45   1HB   SER   8          2HB       SER   8   2.335   2.142 -11.285
   46   2HB   SER   8          1HB       SER   8   1.770   3.797 -11.008
   47    HG   SER   8           HG       SER   8   2.041   2.473 -13.334
   48    H    ASP   9           H        ASP   9   4.369   4.949  -9.151
   49    HA   ASP   9           HA       ASP   9   3.795   7.599 -10.315
   50   1HB   ASP   9          2HB       ASP   9   3.490   6.385  -7.660
   51   2HB   ASP   9          1HB       ASP   9   4.176   7.989  -7.561
   52    H    GLY  10           H        GLY  10   4.880   9.310  -8.967
   53   1HA   GLY  10          2HA       GLY  10   7.786   9.140  -9.586
   54   2HA   GLY  10          1HA       GLY  10   6.864  10.626  -9.388
   55    HA   PRO  11           HA       PRO  11   9.239   9.769  -5.496
   56   1HB   PRO  11          2HB       PRO  11  11.104  11.711  -5.594
   57   2HB   PRO  11          1HB       PRO  11  11.279  10.259  -6.591
   58   1HG   PRO  11          2HG       PRO  11  10.033  12.954  -7.409
   59   2HG   PRO  11          1HG       PRO  11  11.332  12.088  -8.239
   60   1HD   PRO  11          2HD       PRO  11   8.706  11.838  -8.995
   61   2HD   PRO  11          1HD       PRO  11   9.816  10.456  -9.122
   62    H    SER  12           H        SER  12   9.455  11.273  -3.505
   63    HA   SER  12           HA       SER  12   7.088  13.001  -3.483
   64   1HB   SER  12          2HB       SER  12   8.078  13.059  -0.960
   65   2HB   SER  12          1HB       SER  12   6.969  11.817  -1.586
   66    HG   SER  12           HG       SER  12   8.584  10.464  -1.263
   67    H    VAL  13           H        VAL  13   7.648  14.658  -4.521
   68    HA   VAL  13           HA       VAL  13   9.619  16.562  -3.288
   69    HB   VAL  13           HB       VAL  13   9.084  16.347  -6.305
   70   1HG1  VAL  13          3HG1      VAL  13  10.079  18.516  -5.549
   71   2HG1  VAL  13          2HG1      VAL  13  11.399  17.653  -4.777
   72   3HG1  VAL  13          1HG1      VAL  13  11.228  17.619  -6.522
   73   1HG2  VAL  13          3HG2      VAL  13  11.396  15.074  -4.738
   74   2HG2  VAL  13          2HG2      VAL  13  10.107  14.196  -5.539
   75   3HG2  VAL  13          1HG2      VAL  13  11.279  15.090  -6.492
   76    H    ARG  14           H        ARG  14   6.800  15.974  -3.204
   77    HA   ARG  14           HA       ARG  14   4.842  17.060  -2.684
   78   1HB   ARG  14          2HB       ARG  14   6.419  19.106  -2.100
   79   2HB   ARG  14          1HB       ARG  14   6.107  19.650  -3.731
   80   1HG   ARG  14          2HG       ARG  14   3.838  20.110  -3.373
   81   2HG   ARG  14          1HG       ARG  14   3.705  19.016  -2.006
   82   1HD   ARG  14          2HD       ARG  14   5.371  21.578  -1.929
   83   2HD   ARG  14          1HD       ARG  14   3.701  21.483  -1.372
   84    HE   ARG  14           HE       ARG  14   5.039  19.337  -0.120
   85   1HH1  ARG  14          2HH1      ARG  14   7.393  20.632   0.256
   86   2HH1  ARG  14          1HH1      ARG  14   7.219  21.733   1.571
   87   1HH2  ARG  14          1HH2      ARG  14   3.664  21.554   1.214
   88   2HH2  ARG  14          2HH2      ARG  14   4.882  22.305   2.174
   89    H    GLY  15           H        GLY  15   3.025  18.102  -3.875
   90   1HA   GLY  15          2HA       GLY  15   1.858  18.562  -5.938
   91   2HA   GLY  15          1HA       GLY  15   3.339  18.142  -6.839
   92    H    ASN  16           H        ASN  16   4.059  15.865  -5.711
   93    HA   ASN  16           HA       ASN  16   2.496  13.838  -6.950
   94   1HB   ASN  16          2HB       ASN  16   4.074  12.269  -5.780
   95   2HB   ASN  16          1HB       ASN  16   4.995  13.639  -6.346
   96   1HD2  ASN  16          2HD2      ASN  16   4.550  13.141  -2.389
   97   2HD2  ASN  16          1HD2      ASN  16   3.649  12.153  -3.439
   98    H    THR  17           H        THR  17   1.556  11.921  -5.644
   99    HA   THR  17           HA       THR  17   0.380  12.863  -3.102
  100    HB   THR  17           HB       THR  17  -1.285  13.291  -5.012
  101    HG1  THR  17           HG1      THR  17  -2.619  12.811  -3.466
  102   1HG2  THR  17          2HG2      THR  17  -0.664  11.211  -6.415
  103   2HG2  THR  17          1HG2      THR  17  -1.364  10.212  -5.151
  104   3HG2  THR  17          3HG2      THR  17  -2.375  11.321  -6.050
  105    H    LEU  18           H        LEU  18  -1.184  10.755  -2.607
  106    HA   LEU  18           HA       LEU  18   0.611   8.465  -2.219
  107   1HB   LEU  18          2HB       LEU  18  -1.675   9.706  -0.657
  108   2HB   LEU  18          1HB       LEU  18  -1.100   8.101  -0.310
  109    HG   LEU  18           HG       LEU  18   1.057   8.878   0.112
  110   1HD1  LEU  18          2HD1      LEU  18   0.270  11.688  -0.560
  111   2HD1  LEU  18          1HD1      LEU  18   1.718  11.277   0.350
  112   3HD1  LEU  18          3HD1      LEU  18   1.538  10.681  -1.264
  113   1HD2  LEU  18          2HD2      LEU  18  -0.647   9.069   2.051
  114   2HD2  LEU  18          1HD2      LEU  18   0.583  10.306   2.232
  115   3HD2  LEU  18          3HD2      LEU  18  -0.982  10.705   1.551
  116    H    SER  19           H        SER  19   0.054   7.127  -3.979
  117    HA   SER  19           HA       SER  19  -2.826   6.696  -4.546
  118   1HB   SER  19          2HB       SER  19  -1.660   5.198  -6.458
  119   2HB   SER  19          1HB       SER  19  -1.672   6.955  -6.629
  120    HG   SER  19           HG       SER  19   0.426   6.640  -6.695
  121    H    GLY  20           H        GLY  20  -0.506   5.316  -2.578
  122   1HA   GLY  20          2HA       GLY  20  -2.043   2.903  -2.338
  123   2HA   GLY  20          1HA       GLY  20  -0.310   2.722  -2.581
  124    H    THR  21           H        THR  21  -0.724   1.549  -0.381
  125    HA   THR  21           HA       THR  21   0.052   3.209   1.759
  126    HB   THR  21           HB       THR  21  -2.409   1.400   1.853
  127    HG1  THR  21           HG1      THR  21  -2.195   3.930   1.090
  128   1HG2  THR  21          2HG2      THR  21  -1.262   1.553   4.133
  129   2HG2  THR  21          1HG2      THR  21  -1.458   3.300   4.057
  130   3HG2  THR  21          3HG2      THR  21  -2.866   2.265   4.094
  131    H    LEU  22           H        LEU  22   0.819   2.021   3.312
  132    HA   LEU  22           HA       LEU  22   1.914  -0.608   2.449
  133   1HB   LEU  22          2HB       LEU  22   3.710   0.777   2.757
  134   2HB   LEU  22          1HB       LEU  22   3.055   1.646   4.132
  135    HG   LEU  22           HG       LEU  22   3.742  -1.324   4.432
  136   1HD1  LEU  22          2HD1      LEU  22   5.829   0.908   4.503
  137   2HD1  LEU  22          1HD1      LEU  22   6.099  -0.778   4.913
  138   3HD1  LEU  22          3HD1      LEU  22   5.717  -0.332   3.266
  139   1HD2  LEU  22          1HD2      LEU  22   4.058   1.146   6.201
  140   2HD2  LEU  22          3HD2      LEU  22   2.730   0.004   6.314
  141   3HD2  LEU  22          2HD2      LEU  22   4.372  -0.506   6.682
  142    H    TRP  23           H        TRP  23   1.799  -2.284   3.618
  143    HA   TRP  23           HA       TRP  23   0.012  -2.288   5.978
  144   1HB   TRP  23          2HB       TRP  23   0.313  -4.161   3.600
  145   2HB   TRP  23          1HB       TRP  23  -0.414  -4.768   5.093
  146    HD1  TRP  23           HD1      TRP  23  -1.230  -2.356   2.140
  147    HE1  TRP  23           HE1      TRP  23  -3.488  -1.383   2.665
  148    HE3  TRP  23           HE3      TRP  23  -1.858  -4.146   6.809
  149    HZ2  TRP  23           HZ2      TRP  23  -5.408  -1.295   4.832
  150    HZ3  TRP  23           HZ3      TRP  23  -3.882  -3.599   8.107
  151    HH2  TRP  23           HH2      TRP  23  -5.655  -2.182   7.118
  152    H    LEU  24           H        LEU  24   0.587  -3.057   7.685
  153    HA   LEU  24           HA       LEU  24   3.319  -3.974   8.180
  154   1HB   LEU  24          2HB       LEU  24   1.190  -3.647  10.337
  155   2HB   LEU  24          1HB       LEU  24   2.910  -3.359  10.456
  156    HG   LEU  24           HG       LEU  24   0.995  -1.661   8.811
  157   1HD1  LEU  24          2HD1      LEU  24   2.301  -1.070  11.498
  158   2HD1  LEU  24          1HD1      LEU  24   1.349   0.078  10.584
  159   3HD1  LEU  24          3HD1      LEU  24   0.591  -1.359  11.245
  160   1HD2  LEU  24          1HD2      LEU  24   3.344  -1.681   7.982
  161   2HD2  LEU  24          3HD2      LEU  24   2.961  -0.102   8.649
  162   3HD2  LEU  24          2HD2      LEU  24   3.932  -1.237   9.567
  163    H    TYR  25           H        TYR  25   0.317  -5.109   7.764
  164    HA   TYR  25           HA       TYR  25   0.249  -7.486   9.368
  165   1HB   TYR  25          2HB       TYR  25  -1.016  -6.870   6.651
  166   2HB   TYR  25          1HB       TYR  25  -1.318  -8.346   7.436
  167    HD1  TYR  25           HD1      TYR  25  -1.176  -6.150  10.213
  168    HD2  TYR  25           HD2      TYR  25  -3.634  -7.219   6.898
  169    HE1  TYR  25           HE1      TYR  25  -3.155  -5.352  11.410
  170    HE2  TYR  25           HE2      TYR  25  -5.606  -6.412   8.104
  171    HH   TYR  25           HH       TYR  25  -6.254  -6.105  10.578
  172    HA   PRO  26           HA       PRO  26   3.553  -9.530   7.838
  173   1HB   PRO  26          2HB       PRO  26   3.089 -12.180   8.391
  174   2HB   PRO  26          1HB       PRO  26   3.237 -10.981   9.679
  175   1HG   PRO  26          2HG       PRO  26   0.656 -11.996   8.350
  176   2HG   PRO  26          1HG       PRO  26   1.023 -11.922  10.076
  177   1HD   PRO  26          2HD       PRO  26  -0.388  -9.912   8.885
  178   2HD   PRO  26          1HD       PRO  26   0.814  -9.527  10.138
  179    H    SER  27           H        SER  27   0.778  -9.974   6.232
  180    HA   SER  27           HA       SER  27   2.148 -11.353   3.936
  181   1HB   SER  27          2HB       SER  27  -0.184 -12.011   3.247
  182   2HB   SER  27          1HB       SER  27   0.303 -12.736   4.792
  183    HG   SER  27           HG       SER  27  -1.577 -10.779   4.295
  184    H    GLY  28           H        GLY  28   1.593  -8.484   4.959
  185   1HA   GLY  28          2HA       GLY  28   1.486  -6.430   3.926
  186   2HA   GLY  28          1HA       GLY  28   1.588  -7.300   2.415
  187    H    CYS  29           H        CYS  29   0.192  -6.960   1.173
  188    HA   CYS  29           HA       CYS  29  -1.955  -5.381   1.396
  189   1HB   CYS  29          2HB       CYS  29  -0.790  -6.336  -0.719
  190   2HB   CYS  29          1HB       CYS  29  -2.024  -7.578  -0.622
  191    HA   PRO  30           HA       PRO  30  -4.664  -8.281   3.497
  192   1HB   PRO  30          2HB       PRO  30  -6.429  -6.501   4.539
  193   2HB   PRO  30          1HB       PRO  30  -4.780  -6.664   5.155
  194   1HG   PRO  30          2HG       PRO  30  -5.857  -4.500   3.319
  195   2HG   PRO  30          1HG       PRO  30  -4.683  -4.415   4.612
  196   1HD   PRO  30          2HD       PRO  30  -4.101  -4.685   1.839
  197   2HD   PRO  30          1HD       PRO  30  -2.946  -4.941   3.182
  198    H    SER  31           H        SER  31  -6.302  -9.296   2.960
  199    HA   SER  31           HA       SER  31  -7.388  -9.344   0.466
  200   1HB   SER  31          2HB       SER  31  -8.952 -10.299   2.957
  201   2HB   SER  31          1HB       SER  31  -8.761 -11.185   1.431
  202    HG   SER  31           HG       SER  31  -6.924 -11.945   2.199
  203    H    GLY  32           H        GLY  32  -8.127  -7.812  -0.410
  204   1HA   GLY  32          2HA       GLY  32 -10.505  -6.874  -0.910
  205   2HA   GLY  32          1HA       GLY  32 -10.251  -6.071   0.656
  206    H    TRP  33           H        TRP  33  -7.192  -6.481  -0.523
  207    HA   TRP  33           HA       TRP  33  -7.165  -3.823  -1.814
  208   1HB   TRP  33          2HB       TRP  33  -5.221  -5.389  -0.014
  209   2HB   TRP  33          1HB       TRP  33  -4.679  -3.995  -0.904
  210    HD1  TRP  33           HD1      TRP  33  -7.708  -4.643   1.533
  211    HE1  TRP  33           HE1      TRP  33  -7.835  -2.491   2.846
  212    HE3  TRP  33           HE3      TRP  33  -3.955  -2.153  -0.546
  213    HZ2  TRP  33           HZ2      TRP  33  -6.483   0.118   3.038
  214    HZ3  TRP  33           HZ3      TRP  33  -3.349   0.124   0.121
  215    HH2  TRP  33           HH2      TRP  33  -4.579   1.275   1.892
  216    H    HIS  34           H        HIS  34  -4.466  -4.391  -2.716
  217    HA   HIS  34           HA       HIS  34  -4.640  -6.593  -4.551
  218   1HB   HIS  34          2HB       HIS  34  -5.954  -4.820  -5.692
  219   2HB   HIS  34          1HB       HIS  34  -4.641  -3.678  -5.516
  220    HD1  HIS  34           HD1      HIS  34  -5.133  -3.758  -8.257
  221    HD2  HIS  34           HD2      HIS  34  -3.125  -6.975  -6.748
  222    HE1  HIS  34           HE1      HIS  34  -4.052  -4.868 -10.173
  223    H    ASN  35           H        ASN  35  -2.757  -4.011  -5.485
  224    HA   ASN  35           HA       ASN  35  -0.380  -4.478  -3.925
  225   1HB   ASN  35          2HB       ASN  35   1.064  -5.394  -5.803
  226   2HB   ASN  35          1HB       ASN  35  -0.150  -6.529  -5.260
  227   1HD2  ASN  35          2HD2      ASN  35  -1.108  -4.959  -8.842
  228   2HD2  ASN  35          1HD2      ASN  35  -0.800  -3.825  -7.614
  229    H    CYS  36           H        CYS  36   1.341  -2.997  -4.655
  230    HA   CYS  36           HA       CYS  36   0.612  -1.145  -6.854
  231   1HB   CYS  36          2HB       CYS  36  -0.145  -0.511  -4.209
  232   2HB   CYS  36          1HB       CYS  36   1.266   0.481  -4.492
  233    H    LYS  37           H        LYS  37   2.804  -2.005  -4.226
  234    HA   LYS  37           HA       LYS  37   5.004  -0.875  -5.775
  235   1HB   LYS  37          2HB       LYS  37   4.504  -1.654  -2.937
  236   2HB   LYS  37          1HB       LYS  37   6.153  -1.635  -3.392
  237   1HG   LYS  37          2HG       LYS  37   4.172   0.730  -3.596
  238   2HG   LYS  37          1HG       LYS  37   5.473   0.627  -2.435
  239   1HD   LYS  37          2HD       LYS  37   5.848   0.934  -5.414
  240   2HD   LYS  37          1HD       LYS  37   6.113   2.136  -4.179
  241   1HE   LYS  37          2HE       LYS  37   7.947   0.868  -3.189
  242   2HE   LYS  37          1HE       LYS  37   7.607  -0.536  -4.191
  243   1HZ   LYS  37          3HZ       LYS  37   7.959   1.634  -5.915
  244   2HZ   LYS  37          2HZ       LYS  37   9.310   1.559  -4.875
  245   3HZ   LYS  37          1HZ       LYS  37   8.741   0.258  -5.845
  246    H    ALA  38           H        ALA  38   5.838  -2.257  -7.098
  247    HA   ALA  38           HA       ALA  38   5.357  -5.139  -6.978
  248   1HB   ALA  38          2HB       ALA  38   5.487  -3.915  -9.171
  249   2HB   ALA  38          1HB       ALA  38   7.159  -3.503  -8.814
  250   3HB   ALA  38          3HB       ALA  38   6.713  -5.177  -9.087
  251    H    HIS  39           H        HIS  39   7.270  -3.476  -5.091
  252    HA   HIS  39           HA       HIS  39   9.360  -5.611  -5.052
  253   1HB   HIS  39          2HB       HIS  39   9.909  -2.614  -4.705
  254   2HB   HIS  39          1HB       HIS  39  11.124  -3.886  -4.833
  255    HD1  HIS  39           HD1      HIS  39   9.841  -5.328  -7.296
  256    HD2  HIS  39           HD2      HIS  39  10.407  -1.286  -7.121
  257    HE1  HIS  39           HE1      HIS  39   9.955  -4.527  -9.629
  258    H    GLY  40           H        GLY  40  10.426  -3.528  -2.874
  259   1HA   GLY  40          2HA       GLY  40   9.259  -5.027  -0.623
  260   2HA   GLY  40          1HA       GLY  40  10.624  -3.932  -0.556
  261    HA   PRO  41           HA       PRO  41  11.076  -2.465   0.832
  262   1HB   PRO  41          2HB       PRO  41  10.735  -1.600   3.383
  263   2HB   PRO  41          1HB       PRO  41  10.554  -0.494   2.018
  264   1HG   PRO  41          2HG       PRO  41   8.321  -2.053   3.437
  265   2HG   PRO  41          1HG       PRO  41   8.416  -0.311   3.183
  266   1HD   PRO  41          2HD       PRO  41   7.046  -1.917   1.416
  267   2HD   PRO  41          1HD       PRO  41   7.967  -0.534   0.800
  268    H    THR  42           H        THR  42  12.020  -3.552   3.062
  269    HA   THR  42           HA       THR  42  10.857  -6.289   3.013
  270    HB   THR  42           HB       THR  42  13.356  -6.159   2.771
  271    HG1  THR  42           HG1      THR  42  12.063  -7.337   4.928
  272   1HG2  THR  42          2HG2      THR  42  13.757  -4.034   4.188
  273   2HG2  THR  42          1HG2      THR  42  13.372  -5.001   5.609
  274   3HG2  THR  42          3HG2      THR  42  14.764  -5.398   4.630
  275    H    ILE  43           H        ILE  43  10.528  -3.503   4.712
  276    HA   ILE  43           HA       ILE  43   9.580  -4.862   7.194
  277    HB   ILE  43           HB       ILE  43  10.461  -1.950   6.821
  278   1HG1  ILE  43          2HG1      ILE  43  12.402  -3.364   6.536
  279   2HG1  ILE  43          1HG1      ILE  43  12.513  -2.530   8.071
  280   1HG2  ILE  43          3HG2      ILE  43   9.857  -3.504   9.375
  281   2HG2  ILE  43          2HG2      ILE  43  10.469  -1.860   9.308
  282   3HG2  ILE  43          1HG2      ILE  43   8.878  -2.229   8.672
  283   1HD1  ILE  43          3HD1      ILE  43  11.742  -4.604   9.251
  284   2HD1  ILE  43          2HD1      ILE  43  11.657  -5.446   7.713
  285   3HD1  ILE  43          1HD1      ILE  43  13.200  -4.896   8.329
  286    H    GLY  44           H        GLY  44   7.619  -5.223   6.467
  287   1HA   GLY  44          2HA       GLY  44   5.292  -4.663   6.236
  288   2HA   GLY  44          1HA       GLY  44   5.725  -2.960   6.108
  289    H    TRP  45           H        TRP  45   3.932  -4.302   4.321
  290    HA   TRP  45           HA       TRP  45   5.516  -4.469   1.771
  291   1HB   TRP  45          2HB       TRP  45   2.623  -5.320   2.095
  292   2HB   TRP  45          1HB       TRP  45   3.730  -5.766   0.828
  293    HD1  TRP  45           HD1      TRP  45   4.222  -6.326   4.760
  294    HE1  TRP  45           HE1      TRP  45   4.495  -8.801   4.981
  295    HE3  TRP  45           HE3      TRP  45   3.607  -7.776  -0.034
  296    HZ2  TRP  45           HZ2      TRP  45   4.461 -11.191   3.439
  297    HZ3  TRP  45           HZ3      TRP  45   3.725 -10.164  -0.655
  298    HH2  TRP  45           HH2      TRP  45   4.154 -11.871   1.084
  299    H    CYS  46           H        CYS  46   4.515  -3.338  -0.119
  300    HA   CYS  46           HA       CYS  46   2.807  -1.047   0.758
  301   1HB   CYS  46          2HB       CYS  46   5.176  -1.287  -1.012
  302   2HB   CYS  46          1HB       CYS  46   3.977  -0.058  -1.348
  303    H    CYS  47           H        CYS  47   0.879  -1.147   0.002
  304    HA   CYS  47           HA       CYS  47   0.334  -2.243  -2.699
  305   1HB   CYS  47          2HB       CYS  47  -0.094  -3.884  -0.766
  306   2HB   CYS  47          1HB       CYS  47  -1.388  -2.828  -0.267
  307    H    LYS  48           H        LYS  48  -2.396  -2.022  -2.663
  308    HA   LYS  48           HA       LYS  48  -3.204   0.709  -1.943
  309   1HB   LYS  48          2HB       LYS  48  -3.780   1.351  -4.284
  310   2HB   LYS  48          1HB       LYS  48  -2.104   0.964  -4.196
  311   1HG   LYS  48          2HG       LYS  48  -2.387  -0.498  -5.940
  312   2HG   LYS  48          1HG       LYS  48  -3.293  -1.549  -4.889
  313   1HD   LYS  48          2HD       LYS  48  -4.476   0.682  -6.643
  314   2HD   LYS  48          1HD       LYS  48  -4.600  -1.046  -6.949
  315   1HE   LYS  48          2HE       LYS  48  -5.733  -1.361  -4.794
  316   2HE   LYS  48          1HE       LYS  48  -5.666   0.367  -4.485
  317   1HZ   LYS  48          1HZ       LYS  48  -7.073  -0.074  -6.924
  318   2HZ   LYS  48          3HZ       LYS  48  -7.670  -1.011  -5.582
  319   3HZ   LYS  48          2HZ       LYS  48  -7.524   0.609  -5.395
  320    H    GLN  49           H        GLN  49  -5.588   0.788  -1.906
  321    HA   GLN  49           HA       GLN  49  -6.735  -1.765  -1.662
  322   1HB   GLN  49          2HB       GLN  49  -6.749   0.291  -0.033
  323   2HB   GLN  49          1HB       GLN  49  -7.860   1.022  -1.190
  324   1HG   GLN  49          2HG       GLN  49  -9.159  -0.834  -1.191
  325   2HG   GLN  49          1HG       GLN  49  -8.055  -1.672  -0.060
  326   1HE2  GLN  49          2HE2      GLN  49 -10.322  -0.604   2.475
  327   2HE2  GLN  49          1HE2      GLN  49  -9.754  -1.942   1.576
   
  No H/Q in entry =         327
   
 


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