*HEADER    UNKNOWN FUNCTION                        01-JAN-13   2M2R              
*TITLE     SOLUTION STRUCTURE OF MCH-2: A NOVEL INHIBITOR CYSTINE KNOT PEPTIDE   
*TITLE    2 FROM MOMORDICA CHARANTIA                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: INHIBITOR CYSTINE KNOT PEPTIDE MCH-2;                      
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MOMORDICA CHARANTIA;                            
*SOURCE   3 OTHER_DETAILS: MCH-2 WAS ISOLATED FROM THE MOMORDICA CHARANTIA SEEDS 
*SOURCE   4 EXTRACT                                                              
*KEYWDS    CYSTINE KNOT, DISULFIDE-RICH PEPTIDES, MCH-2, OXIDATIVE REFOLDING,    
*KEYWDS   2 SELECTIVE REDUCTION, UNKNOWN FUNCTION                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    W.HE, L.CHAN, R.J.CLARK, J.TANG, G.ZENG, O.L.FRANCO, C.CANTACESSI,    
*AUTHOR   2 D.J.CRAIK, N.L.DALY, N.TAN                                           
*REVDAT   1   06-NOV-13 2M2R    0                                                


!residue 32
assign (resid 31 and name C)(resid 32 and name N)
 (resid 32 and name CA)(resid 32 and name C) 1 -65 15 2
!residue 19
assign (resid 18 and name C)(resid 19 and name N)
 (resid 19 and name CA)(resid 19 and name C) 1 -65 15 2
!residue 31
assign (resid 30 and name C)(resid 31 and name N)
 (resid 31 and name CA)(resid 31 and name C) 1 -120 30 2
!residue 18
assign (resid 17 and name C)(resid 18 and name N)
 (resid 18 and name CA)(resid 18 and name C) 1 -120 30 2
!residue 28
assign (resid 27 and name C)(resid 28 and name N)
 (resid 28 and name CA)(resid 28 and name C) 1 -120 30 2
!residue 7
assign (resid 6 and name C)(resid 7 and name N)
 (resid 7 and name CA)(resid 7 and name C) 1 -120 30 2
!residue 27
assign (resid 26 and name C)(resid 27 and name N)
 (resid 27 and name CA)(resid 27 and name C) 1 -120 30 2
!residue 8
assign (resid 7 and name C)(resid 8 and name N)
 (resid 8 and name CA)(resid 8 and name C) 1 -100 80 2
!residue 10
assign (resid 9 and name C)(resid 10 and name N)
 (resid 10 and name CA)(resid 10 and name C) 1 -100 80 2
!residue 14
assign (resid 13 and name C)(resid 14 and name N)
 (resid 14 and name CA)(resid 14 and name C) 1 -100 80 2
!residue 20
assign (resid 19 and name C)(resid 20 and name N)
 (resid 20 and name CA)(resid 20 and name C) 1 -100 80 2
!residue 2
assign (resid 1 and name C)(resid 2 and name N)
 (resid 2 and name CA)(resid 2 and name C) 1 -100 80 2
!residue 12
assign (resid 11 and name C)(resid 12 and name N)
 (resid 12 and name CA)(resid 12 and name C) 1 -100 80 2
!residue 15
assign (resid 14 and name C)(resid 15 and name N)
 (resid 15 and name CA)(resid 15 and name C) 1 -100 80 2
!residue 5
assign (resid 4 and name C)(resid 5 and name N)
 (resid 5 and name CA)(resid 5 and name C) 1 -100 80 2
!residue 6
assign (resid 5 and name C)(resid 6 and name N)
 (resid 6 and name CA)(resid 6 and name C) 1 -100 80 2
!residue 16
assign (resid 15 and name C)(resid 16 and name N)
 (resid 16 and name CA)(resid 16 and name C) 1 -100 80 2
!residue 25
assign (resid 24 and name C)(resid 25 and name N)
 (resid 25 and name CA)(resid 25 and name C) 1 -100 80 2
!residue13 
assign (resid 12 and name C)(resid 13 and name N)
 (resid 13 and name CA)(resid 13 and name C) 1 -100 80 2

 
 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           1HT      GLY   1  12.091   2.232   1.580
    2    H2   GLY   1           2HT      GLY   1  11.407   0.689   1.459
    3    H3   GLY   1           3HT      GLY   1  10.463   2.060   1.136
    4    HA2  GLY   1           1HA      GLY   1  11.168   2.227  -0.953
    5    HA3  GLY   1           2HA      GLY   1  12.834   1.912  -0.483
    6    H    CYS   2           H        CYS   2   9.845   0.019  -0.157
    7    HA   CYS   2           HA       CYS   2  11.219  -2.204  -1.529
    8    HB2  CYS   2           2HB      CYS   2   8.848  -2.569   0.264
    9    HB3  CYS   2           1HB      CYS   2  10.174  -3.675  -0.078
   10    H    ALA   3           H        ALA   3   9.892  -0.102  -2.839
   11    HA   ALA   3           HA       ALA   3   7.264  -0.907  -3.625
   12    HB1  ALA   3           1HB      ALA   3   9.022   1.046  -5.076
   13    HB2  ALA   3           2HB      ALA   3   8.142   1.460  -3.603
   14    HB3  ALA   3           3HB      ALA   3   7.261   0.965  -5.049
   15    H    GLY   4           H        GLY   4   7.523  -3.014  -4.364
   16    HA2  GLY   4           2HA      GLY   4   9.349  -3.854  -6.332
   17    HA3  GLY   4           1HA      GLY   4   7.833  -4.657  -5.944
   18    H    LYS   5           H        LYS   5   6.050  -2.624  -6.595
   19    HA   LYS   5           HA       LYS   5   6.457  -1.466  -9.119
   20    HB2  LYS   5           2HB      LYS   5   6.417  -3.862  -9.836
   21    HB3  LYS   5           1HB      LYS   5   4.783  -3.987  -9.197
   22    HG2  LYS   5           2HG      LYS   5   4.799  -3.669 -11.621
   23    HG3  LYS   5           1HG      LYS   5   4.004  -2.330 -10.788
   24    HD2  LYS   5           2HD      LYS   5   6.110  -1.037 -10.947
   25    HD3  LYS   5           1HD      LYS   5   6.820  -2.360 -11.873
   26    HE2  LYS   5           2HE      LYS   5   5.156  -2.067 -13.612
   27    HE3  LYS   5           1HE      LYS   5   4.364  -0.803 -12.672
   28    HZ1  LYS   5           3HZ      LYS   5   7.132  -0.252 -13.033
   29    HZ2  LYS   5           1HZ      LYS   5   5.789   0.697 -13.432
   30    HZ3  LYS   5           2HZ      LYS   5   6.360  -0.462 -14.523
   31    H    ALA   6           H        ALA   6   3.977  -3.093  -7.174
   32    HA   ALA   6           HA       ALA   6   2.595  -0.691  -6.562
   33    HB1  ALA   6           1HB      ALA   6   1.930  -1.095  -8.982
   34    HB2  ALA   6           2HB      ALA   6   0.608  -0.930  -7.827
   35    HB3  ALA   6           3HB      ALA   6   1.078  -2.528  -8.407
   36    H    CYS   7           H        CYS   7   0.707  -1.128  -5.193
   37    HA   CYS   7           HA       CYS   7   0.312  -3.880  -4.367
   38    HB2  CYS   7           2HB      CYS   7   2.198  -3.245  -2.968
   39    HB3  CYS   7           1HB      CYS   7   1.354  -1.789  -2.447
   40    H    ASN   8           H        ASN   8  -1.769  -4.195  -3.932
   41    HA   ASN   8           HA       ASN   8  -3.495  -1.859  -3.621
   42    HB2  ASN   8           2HB      ASN   8  -4.004  -4.738  -4.332
   43    HB3  ASN   8           1HB      ASN   8  -5.323  -3.692  -3.817
   44   HD21  ASN   8          1HD2      ASN   8  -6.431  -3.006  -5.488
   45   HD22  ASN   8          2HD2      ASN   8  -5.787  -2.529  -7.017
   46    H    LEU   9           H        LEU   9  -4.597  -1.416  -1.785
   47    HA   LEU   9           HA       LEU   9  -3.752  -2.681   0.639
   48    HB2  LEU   9           2HB      LEU   9  -4.303  -0.233   0.322
   49    HB3  LEU   9           1HB      LEU   9  -5.993  -0.693   0.295
   50    HG   LEU   9           HG       LEU   9  -5.754  -1.603   2.591
   51   HD11  LEU   9          1HD1      LEU   9  -3.818  -1.586   3.782
   52   HD12  LEU   9          2HD1      LEU   9  -3.170  -0.187   2.925
   53   HD13  LEU   9          3HD1      LEU   9  -3.144  -1.778   2.164
   54   HD21  LEU   9          3HD2      LEU   9  -6.061   0.996   1.793
   55   HD22  LEU   9          1HD2      LEU   9  -4.763   1.115   2.983
   56   HD23  LEU   9          2HD2      LEU   9  -6.308   0.393   3.433
   57    H    LEU  10           H        LEU  10  -4.844  -4.650  -0.834
   58    HA   LEU  10           HA       LEU  10  -7.331  -5.295   0.611
   59    HB2  LEU  10           2HB      LEU  10  -6.607  -5.925  -2.256
   60    HB3  LEU  10           1HB      LEU  10  -7.884  -6.756  -1.398
   61    HG   LEU  10           HG       LEU  10  -8.957  -5.148  -2.726
   62   HD11  LEU  10          1HD1      LEU  10 -10.092  -3.755  -1.176
   63   HD12  LEU  10          2HD1      LEU  10  -8.740  -3.805  -0.045
   64   HD13  LEU  10          3HD1      LEU  10  -9.693  -5.258  -0.346
   65   HD21  LEU  10          3HD2      LEU  10  -7.608  -3.563  -3.552
   66   HD22  LEU  10          1HD2      LEU  10  -6.624  -3.488  -2.091
   67   HD23  LEU  10          2HD2      LEU  10  -8.160  -2.624  -2.166
   68    H    GLY  11           H        GLY  11  -4.457  -5.751   1.111
   69    HA2  GLY  11           2HA      GLY  11  -4.432  -8.202   2.282
   70    HA3  GLY  11           1HA      GLY  11  -3.943  -8.536   0.624
   71    H    LEU  12           H        LEU  12  -1.807  -8.867   0.661
   72    HA   LEU  12           HA       LEU  12  -0.096  -6.694   1.363
   73    HB2  LEU  12           2HB      LEU  12   1.232  -7.728   3.057
   74    HB3  LEU  12           1HB      LEU  12  -0.431  -7.727   3.580
   75    HG   LEU  12           HG       LEU  12   0.424  -9.762   4.319
   76   HD11  LEU  12          1HD1      LEU  12  -1.314  -9.975   1.969
   77   HD12  LEU  12          2HD1      LEU  12  -1.522 -10.585   3.611
   78   HD13  LEU  12          3HD1      LEU  12  -0.509 -11.464   2.464
   79   HD21  LEU  12          3HD2      LEU  12   2.520  -9.802   3.163
   80   HD22  LEU  12          1HD2      LEU  12   1.716 -10.135   1.629
   81   HD23  LEU  12          2HD2      LEU  12   1.695 -11.341   2.916
   82    H    THR  13           H        THR  13   1.860  -6.781   0.372
   83    HA   THR  13           HA       THR  13   2.953  -9.130  -0.793
   84    HB   THR  13           HB       THR  13   1.160  -8.863  -2.414
   85    HG1  THR  13           1HG      THR  13   3.703  -8.038  -3.398
   86   HG21  THR  13          3HG2      THR  13   1.797  -6.509  -3.803
   87   HG22  THR  13          1HG2      THR  13   1.716  -6.062  -2.099
   88   HG23  THR  13          2HG2      THR  13   0.338  -6.846  -2.871
   89    H    CYS  14           H        CYS  14   3.929  -7.296   0.937
   90    HA   CYS  14           HA       CYS  14   6.028  -5.980  -0.637
   91    HB2  CYS  14           2HB      CYS  14   4.829  -4.783   1.865
   92    HB3  CYS  14           1HB      CYS  14   5.963  -4.031   0.751
   93    H    ASP  15           H        ASP  15   8.033  -5.746   0.495
   94    HA   ASP  15           HA       ASP  15   8.845  -7.973   1.946
   95    HB2  ASP  15           2HB      ASP  15  10.158  -5.246   2.008
   96    HB3  ASP  15           1HB      ASP  15  10.929  -6.800   2.310
   97    H    ALA  16           H        ALA  16   9.422  -8.254   4.130
   98    HA   ALA  16           HA       ALA  16   7.574  -7.399   6.014
   99    HB1  ALA  16           1HB      ALA  16   8.690  -8.707   7.498
  100    HB2  ALA  16           2HB      ALA  16  10.276  -8.125   6.991
  101    HB3  ALA  16           3HB      ALA  16   9.419  -9.316   6.012
  102    H    GLY  17           H        GLY  17   7.294  -5.557   7.059
  103    HA2  GLY  17           2HA      GLY  17   8.162  -3.807   8.482
  104    HA3  GLY  17           1HA      GLY  17   9.619  -3.800   7.495
  105    H    CYS  18           H        CYS  18   8.228  -3.917   4.976
  106    HA   CYS  18           HA       CYS  18   7.552  -1.098   4.758
  107    HB2  CYS  18           2HB      CYS  18   7.427  -2.887   2.390
  108    HB3  CYS  18           1HB      CYS  18   8.145  -1.285   2.553
  109    H    PHE  19           H        PHE  19   5.512  -0.699   5.392
  110    HA   PHE  19           HA       PHE  19   3.375  -2.541   4.992
  111    HB2  PHE  19           2HB      PHE  19   1.938  -0.786   5.931
  112    HB3  PHE  19           1HB      PHE  19   3.371  -1.041   6.916
  113    HD1  PHE  19           2HD      PHE  19   1.704   1.260   4.568
  114    HD2  PHE  19           1HD      PHE  19   4.976   0.688   7.233
  115    HE1  PHE  19           2HE      PHE  19   2.180   3.670   4.494
  116    HE2  PHE  19           1HE      PHE  19   5.452   3.099   7.168
  117    HZ   PHE  19           HZ       PHE  19   4.056   4.594   5.796
  118    H    CYS  20           H        CYS  20   1.618  -2.404   3.628
  119    HA   CYS  20           HA       CYS  20   2.143  -1.300   1.042
  120    HB2  CYS  20           2HB      CYS  20   0.923  -3.442   1.404
  121    HB3  CYS  20           1HB      CYS  20  -0.395  -2.542   2.142
  122    H    ARG  21           H        ARG  21   1.793   0.777   0.520
  123    HA   ARG  21           HA       ARG  21  -0.180   2.273   2.103
  124    HB2  ARG  21           2HB      ARG  21   2.272   2.994   2.021
  125    HB3  ARG  21           1HB      ARG  21   1.961   3.467   0.356
  126    HG2  ARG  21           2HG      ARG  21  -0.074   4.722   1.570
  127    HG3  ARG  21           1HG      ARG  21   1.109   4.726   2.877
  128    HD2  ARG  21           2HD      ARG  21   1.636   6.688   1.787
  129    HD3  ARG  21           1HD      ARG  21   2.735   5.555   1.003
  130    HE   ARG  21           HE       ARG  21   0.242   5.739  -0.381
  131   HH11  ARG  21          1HH1      ARG  21   3.336   7.326   0.041
  132   HH12  ARG  21          2HH1      ARG  21   3.240   8.194  -1.453
  133   HH21  ARG  21          1HH2      ARG  21   0.096   6.901  -2.339
  134   HH22  ARG  21          2HH2      ARG  21   1.389   7.950  -2.815
  135    HA   PRO  22           HA       PRO  22  -2.641   2.512  -1.599
  136    HB2  PRO  22           2HB      PRO  22  -4.449   4.321  -0.685
  137    HB3  PRO  22           1HB      PRO  22  -4.490   2.613  -0.239
  138    HG2  PRO  22           2HG      PRO  22  -3.499   4.955   1.313
  139    HG3  PRO  22           1HG      PRO  22  -4.348   3.509   1.883
  140    HD2  PRO  22           2HD      PRO  22  -1.638   3.904   2.109
  141    HD3  PRO  22           1HD      PRO  22  -2.409   2.311   2.076
  142    H    ASP  23           H        ASP  23  -3.221   4.165  -3.182
  143    HA   ASP  23           HA       ASP  23  -1.140   5.965  -3.688
  144    HB2  ASP  23           2HB      ASP  23  -2.791   5.036  -5.363
  145    HB3  ASP  23           1HB      ASP  23  -3.946   6.227  -4.771
  146    H    GLY  24           H        GLY  24  -4.464   6.690  -2.600
  147    HA2  GLY  24           2HA      GLY  24  -3.474   8.806  -0.923
  148    HA3  GLY  24           1HA      GLY  24  -4.384   9.376  -2.315
  149    H    VAL  25           H        VAL  25  -6.116  10.172  -1.242
  150    HA   VAL  25           HA       VAL  25  -7.493   8.623   0.747
  151    HB   VAL  25           HB       VAL  25  -9.144  10.513   0.726
  152   HG11  VAL  25          1HG1      VAL  25  -6.230  10.896   1.267
  153   HG12  VAL  25          2HG1      VAL  25  -7.565  10.698   2.403
  154   HG13  VAL  25          3HG1      VAL  25  -7.363  12.220   1.536
  155   HG21  VAL  25          3HG2      VAL  25  -7.229  12.140  -0.864
  156   HG22  VAL  25          1HG2      VAL  25  -8.969  12.333  -0.645
  157   HG23  VAL  25          2HG2      VAL  25  -8.350  11.093  -1.735
  158    H    GLY  26           H        GLY  26  -9.192   7.375   0.501
  159    HA2  GLY  26           2HA      GLY  26 -10.960   6.258  -0.437
  160    HA3  GLY  26           1HA      GLY  26 -11.142   7.617  -1.533
  161    H    ILE  27           H        ILE  27  -8.170   5.781  -1.338
  162    HA   ILE  27           HA       ILE  27  -8.855   4.491  -3.894
  163    HB   ILE  27           HB       ILE  27  -6.090   5.484  -3.238
  164   HG12  ILE  27          2HG1      ILE  27  -8.169   6.806  -4.999
  165   HG13  ILE  27          1HG1      ILE  27  -7.637   7.407  -3.433
  166   HG21  ILE  27          1HG2      ILE  27  -7.393   4.352  -5.693
  167   HG22  ILE  27          2HG2      ILE  27  -5.987   3.747  -4.818
  168   HG23  ILE  27          3HG2      ILE  27  -5.868   5.235  -5.755
  169   HD11  ILE  27          3HD1      ILE  27  -5.521   7.978  -4.253
  170   HD12  ILE  27          1HD1      ILE  27  -6.655   8.500  -5.498
  171   HD13  ILE  27          2HD1      ILE  27  -5.732   7.013  -5.714
  172    H    VAL  28           H        VAL  28  -8.433   2.399  -3.994
  173    HA   VAL  28           HA       VAL  28  -7.390   1.084  -1.624
  174    HB   VAL  28           HB       VAL  28  -8.126  -1.021  -2.733
  175   HG11  VAL  28          1HG1      VAL  28 -10.656   0.034  -2.919
  176   HG12  VAL  28          2HG1      VAL  28  -9.817   1.196  -1.890
  177   HG13  VAL  28          3HG1      VAL  28  -9.871  -0.507  -1.435
  178   HG21  VAL  28          3HG2      VAL  28  -8.722  -1.129  -4.880
  179   HG22  VAL  28          1HG2      VAL  28  -8.071   0.502  -5.049
  180   HG23  VAL  28          2HG2      VAL  28  -9.789   0.266  -4.729
  181    H    ALA  29           H        ALA  29  -6.504   1.637  -4.950
  182    HA   ALA  29           HA       ALA  29  -4.334  -0.252  -4.930
  183    HB1  ALA  29           1HB      ALA  29  -5.500   1.647  -6.878
  184    HB2  ALA  29           2HB      ALA  29  -5.004  -0.033  -7.087
  185    HB3  ALA  29           3HB      ALA  29  -3.793   1.249  -7.078
  186    H    GLY  30           H        GLY  30  -2.124   0.244  -4.870
  187    HA2  GLY  30           2HA      GLY  30  -1.185   2.929  -4.562
  188    HA3  GLY  30           1HA      GLY  30  -1.249   2.076  -3.026
  189    H    VAL  31           H        VAL  31   0.981   2.074  -2.746
  190    HA   VAL  31           HA       VAL  31   2.344  -0.033  -4.186
  191    HB   VAL  31           HB       VAL  31   2.755   2.004  -5.563
  192   HG11  VAL  31          1HG1      VAL  31   2.767   3.744  -3.950
  193   HG12  VAL  31          2HG1      VAL  31   4.382   3.677  -4.653
  194   HG13  VAL  31          3HG1      VAL  31   4.087   2.994  -3.054
  195   HG21  VAL  31          3HG2      VAL  31   4.957   0.476  -4.267
  196   HG22  VAL  31          1HG2      VAL  31   5.359   1.797  -5.364
  197   HG23  VAL  31          2HG2      VAL  31   4.386   0.442  -5.935
  198    H    CYS  32           H        CYS  32   4.167  -0.836  -3.079
  199    HA   CYS  32           HA       CYS  32   4.078  -0.637  -0.264
  200    HB2  CYS  32           2HB      CYS  32   6.358  -1.693  -1.946
  201    HB3  CYS  32           1HB      CYS  32   6.002  -2.099  -0.271
  202    H    VAL  33           H        VAL  33   5.282   0.546   1.161
  203    HA   VAL  33           HA       VAL  33   6.563   2.899   0.193
  204    HB   VAL  33           HB       VAL  33   7.081   3.363   2.565
  205   HG11  VAL  33          1HG1      VAL  33   4.423   2.862   1.463
  206   HG12  VAL  33          2HG1      VAL  33   5.061   4.282   2.293
  207   HG13  VAL  33          3HG1      VAL  33   4.470   2.906   3.225
  208   HG21  VAL  33          3HG2      VAL  33   7.362   0.886   3.123
  209   HG22  VAL  33          1HG2      VAL  33   5.603   0.840   3.253
  210   HG23  VAL  33          2HG2      VAL  33   6.539   1.894   4.315
  Start of MODEL    2
    1    H1   GLY   1           1HT      GLY   1   9.559   2.177  -2.163
    2    H2   GLY   1           2HT      GLY   1   9.449   1.584  -0.579
    3    H3   GLY   1           3HT      GLY   1   8.925   0.635  -1.881
    4    HA2  GLY   1           1HA      GLY   1  11.461   1.121  -2.594
    5    HA3  GLY   1           2HA      GLY   1  11.582   1.048  -0.841
    6    H    CYS   2           H        CYS   2   9.789  -0.856  -0.129
    7    HA   CYS   2           HA       CYS   2  11.143  -3.247  -0.938
    8    HB2  CYS   2           2HB      CYS   2   8.594  -3.105   0.670
    9    HB3  CYS   2           1HB      CYS   2   9.848  -4.342   0.726
   10    H    ALA   3           H        ALA   3   8.101  -1.708  -1.711
   11    HA   ALA   3           HA       ALA   3   6.773  -3.839  -2.933
   12    HB1  ALA   3           1HB      ALA   3   6.321  -1.264  -4.216
   13    HB2  ALA   3           2HB      ALA   3   6.202  -1.209  -2.457
   14    HB3  ALA   3           3HB      ALA   3   5.194  -2.329  -3.374
   15    H    GLY   4           H        GLY   4   6.925  -4.785  -4.858
   16    HA2  GLY   4           2HA      GLY   4   9.194  -4.483  -6.485
   17    HA3  GLY   4           1HA      GLY   4   7.744  -5.378  -6.915
   18    H    LYS   5           H        LYS   5   5.966  -3.090  -6.706
   19    HA   LYS   5           HA       LYS   5   6.836  -0.967  -8.338
   20    HB2  LYS   5           2HB      LYS   5   6.648  -3.110  -9.892
   21    HB3  LYS   5           1HB      LYS   5   4.947  -2.663  -9.898
   22    HG2  LYS   5           2HG      LYS   5   5.311  -0.732 -11.060
   23    HG3  LYS   5           1HG      LYS   5   6.959  -0.550 -10.456
   24    HD2  LYS   5           2HD      LYS   5   5.992  -2.502 -12.543
   25    HD3  LYS   5           1HD      LYS   5   7.040  -1.105 -12.799
   26    HE2  LYS   5           2HE      LYS   5   7.672  -3.636 -11.288
   27    HE3  LYS   5           1HE      LYS   5   8.420  -3.056 -12.775
   28    HZ1  LYS   5           3HZ      LYS   5   9.971  -2.264 -11.387
   29    HZ2  LYS   5           1HZ      LYS   5   8.963  -2.335 -10.026
   30    HZ3  LYS   5           2HZ      LYS   5   8.872  -1.014 -11.084
   31    H    ALA   6           H        ALA   6   4.020  -2.976  -7.513
   32    HA   ALA   6           HA       ALA   6   2.652  -0.622  -6.521
   33    HB1  ALA   6           1HB      ALA   6   1.930  -1.938  -9.054
   34    HB2  ALA   6           2HB      ALA   6   1.594  -0.301  -8.486
   35    HB3  ALA   6           3HB      ALA   6   0.589  -1.647  -7.945
   36    H    CYS   7           H        CYS   7   0.722  -1.167  -5.301
   37    HA   CYS   7           HA       CYS   7   0.290  -3.970  -4.670
   38    HB2  CYS   7           2HB      CYS   7   2.027  -3.566  -3.106
   39    HB3  CYS   7           1HB      CYS   7   1.392  -1.976  -2.697
   40    H    ASN   8           H        ASN   8  -1.775  -4.354  -4.061
   41    HA   ASN   8           HA       ASN   8  -3.525  -2.016  -3.776
   42    HB2  ASN   8           2HB      ASN   8  -3.997  -4.834  -4.695
   43    HB3  ASN   8           1HB      ASN   8  -5.340  -3.866  -4.097
   44   HD21  ASN   8          1HD2      ASN   8  -6.461  -3.040  -5.696
   45   HD22  ASN   8          2HD2      ASN   8  -5.827  -2.434  -7.184
   46    H    LEU   9           H        LEU   9  -4.708  -1.702  -1.950
   47    HA   LEU   9           HA       LEU   9  -3.863  -3.026   0.430
   48    HB2  LEU   9           2HB      LEU   9  -4.556  -0.607   0.197
   49    HB3  LEU   9           1HB      LEU   9  -6.214  -1.166   0.115
   50    HG   LEU   9           HG       LEU   9  -5.980  -2.140   2.377
   51   HD11  LEU   9          1HD1      LEU   9  -4.075  -1.964   3.667
   52   HD12  LEU   9          2HD1      LEU   9  -3.416  -0.643   2.703
   53   HD13  LEU   9          3HD1      LEU   9  -3.403  -2.289   2.069
   54   HD21  LEU   9          3HD2      LEU   9  -5.693   0.116   3.558
   55   HD22  LEU   9          1HD2      LEU   9  -6.977  -0.029   2.358
   56   HD23  LEU   9          2HD2      LEU   9  -5.468   0.783   1.941
   57    H    LEU  10           H        LEU  10  -4.770  -5.026  -1.070
   58    HA   LEU  10           HA       LEU  10  -7.265  -5.851   0.263
   59    HB2  LEU  10           2HB      LEU  10  -6.387  -6.361  -2.582
   60    HB3  LEU  10           1HB      LEU  10  -7.599  -7.343  -1.792
   61    HG   LEU  10           HG       LEU  10  -8.785  -5.808  -3.116
   62   HD11  LEU  10          1HD1      LEU  10  -9.363  -6.030  -0.577
   63   HD12  LEU  10          2HD1      LEU  10 -10.220  -4.878  -1.601
   64   HD13  LEU  10          3HD1      LEU  10  -8.922  -4.323  -0.543
   65   HD21  LEU  10          3HD2      LEU  10  -7.419  -4.126  -3.811
   66   HD22  LEU  10          1HD2      LEU  10  -6.748  -3.852  -2.203
   67   HD23  LEU  10          2HD2      LEU  10  -8.360  -3.257  -2.598
   68    H    GLY  11           H        GLY  11  -4.528  -6.121   1.075
   69    HA2  GLY  11           2HA      GLY  11  -4.429  -8.686   2.041
   70    HA3  GLY  11           1HA      GLY  11  -3.583  -8.754   0.499
   71    H    LEU  12           H        LEU  12  -1.503  -8.987   1.138
   72    HA   LEU  12           HA       LEU  12  -0.196  -6.685   2.261
   73    HB2  LEU  12           2HB      LEU  12  -1.092  -8.424   4.129
   74    HB3  LEU  12           1HB      LEU  12   0.457  -9.156   3.766
   75    HG   LEU  12           HG       LEU  12   0.586  -7.671   5.711
   76   HD11  LEU  12          1HD1      LEU  12   2.248  -5.950   4.327
   77   HD12  LEU  12          2HD1      LEU  12   2.219  -7.409   3.337
   78   HD13  LEU  12          3HD1      LEU  12   2.693  -7.504   5.033
   79   HD21  LEU  12          3HD2      LEU  12  -1.100  -6.030   4.239
   80   HD22  LEU  12          1HD2      LEU  12   0.429  -5.155   4.303
   81   HD23  LEU  12          2HD2      LEU  12  -0.359  -5.664   5.796
   82    H    THR  13           H        THR  13   0.244  -7.361  -0.154
   83    HA   THR  13           HA       THR  13   2.277  -9.396  -0.439
   84    HB   THR  13           HB       THR  13   0.697  -9.182  -2.246
   85    HG1  THR  13           1HG      THR  13   3.292  -8.237  -2.937
   86   HG21  THR  13          3HG2      THR  13  -0.154  -7.225  -2.862
   87   HG22  THR  13          1HG2      THR  13   1.421  -6.727  -3.477
   88   HG23  THR  13          2HG2      THR  13   0.982  -6.390  -1.803
   89    H    CYS  14           H        CYS  14   3.229  -7.718   1.373
   90    HA   CYS  14           HA       CYS  14   5.431  -6.387  -0.025
   91    HB2  CYS  14           2HB      CYS  14   4.154  -5.061   2.351
   92    HB3  CYS  14           1HB      CYS  14   5.239  -4.367   1.156
   93    H    ASP  15           H        ASP  15   7.330  -6.201   1.236
   94    HA   ASP  15           HA       ASP  15   7.880  -8.350   2.940
   95    HB2  ASP  15           2HB      ASP  15   9.374  -5.733   2.646
   96    HB3  ASP  15           1HB      ASP  15  10.014  -7.198   3.385
   97    H    ALA  16           H        ALA  16   8.269  -8.439   5.168
   98    HA   ALA  16           HA       ALA  16   6.413  -7.214   6.823
   99    HB1  ALA  16           1HB      ALA  16   8.988  -8.642   7.374
  100    HB2  ALA  16           2HB      ALA  16   7.332  -9.182   7.652
  101    HB3  ALA  16           3HB      ALA  16   8.041  -7.943   8.686
  102    H    GLY  17           H        GLY  17   6.256  -5.250   7.657
  103    HA2  GLY  17           2HA      GLY  17   7.175  -3.413   8.905
  104    HA3  GLY  17           1HA      GLY  17   8.705  -3.674   8.079
  105    H    CYS  18           H        CYS  18   7.579  -3.965   5.458
  106    HA   CYS  18           HA       CYS  18   7.207  -1.147   4.851
  107    HB2  CYS  18           2HB      CYS  18   7.234  -3.357   2.815
  108    HB3  CYS  18           1HB      CYS  18   7.761  -1.686   2.640
  109    H    PHE  19           H        PHE  19   5.107  -0.857   5.680
  110    HA   PHE  19           HA       PHE  19   2.898  -2.447   5.004
  111    HB2  PHE  19           2HB      PHE  19   1.523  -0.581   5.830
  112    HB3  PHE  19           1HB      PHE  19   2.845  -0.961   6.922
  113    HD1  PHE  19           2HD      PHE  19   1.601   1.480   4.449
  114    HD2  PHE  19           1HD      PHE  19   4.524   0.633   7.427
  115    HE1  PHE  19           2HE      PHE  19   2.275   3.843   4.452
  116    HE2  PHE  19           1HE      PHE  19   5.198   2.998   7.440
  117    HZ   PHE  19           HZ       PHE  19   4.076   4.606   5.950
  118    H    CYS  20           H        CYS  20   1.305  -2.271   3.496
  119    HA   CYS  20           HA       CYS  20   2.046  -1.129   0.974
  120    HB2  CYS  20           2HB      CYS  20   0.837  -3.284   1.148
  121    HB3  CYS  20           1HB      CYS  20  -0.538  -2.449   1.856
  122    H    ARG  21           H        ARG  21   1.979   1.047   0.877
  123    HA   ARG  21           HA       ARG  21  -0.124   2.519   2.219
  124    HB2  ARG  21           2HB      ARG  21   2.321   3.240   2.079
  125    HB3  ARG  21           1HB      ARG  21   1.997   3.648   0.399
  126    HG2  ARG  21           2HG      ARG  21  -0.026   4.950   1.592
  127    HG3  ARG  21           1HG      ARG  21   1.181   5.014   2.873
  128    HD2  ARG  21           2HD      ARG  21   1.666   6.931   1.677
  129    HD3  ARG  21           1HD      ARG  21   2.773   5.768   0.947
  130    HE   ARG  21           HE       ARG  21   0.266   5.851  -0.424
  131   HH11  ARG  21          1HH1      ARG  21   3.348   7.487  -0.118
  132   HH12  ARG  21          2HH1      ARG  21   3.232   8.264  -1.660
  133   HH21  ARG  21          1HH2      ARG  21   0.095   6.887  -2.442
  134   HH22  ARG  21          2HH2      ARG  21   1.373   7.920  -2.992
  135    HA   PRO  22           HA       PRO  22  -2.667   2.621  -1.434
  136    HB2  PRO  22           2HB      PRO  22  -4.408   4.539  -0.593
  137    HB3  PRO  22           1HB      PRO  22  -4.495   2.853  -0.075
  138    HG2  PRO  22           2HG      PRO  22  -3.426   5.228   1.369
  139    HG3  PRO  22           1HG      PRO  22  -4.295   3.823   2.007
  140    HD2  PRO  22           2HD      PRO  22  -1.576   4.171   2.186
  141    HD3  PRO  22           1HD      PRO  22  -2.378   2.592   2.220
  142    H    ASP  23           H        ASP  23  -3.193   4.127  -3.136
  143    HA   ASP  23           HA       ASP  23  -1.116   5.881  -3.776
  144    HB2  ASP  23           2HB      ASP  23  -2.604   4.893  -5.459
  145    HB3  ASP  23           1HB      ASP  23  -3.939   5.874  -4.858
  146    H    GLY  24           H        GLY  24  -4.414   6.664  -2.680
  147    HA2  GLY  24           2HA      GLY  24  -3.394   8.981  -1.293
  148    HA3  GLY  24           1HA      GLY  24  -4.441   9.347  -2.656
  149    H    VAL  25           H        VAL  25  -6.142  10.170  -1.548
  150    HA   VAL  25           HA       VAL  25  -7.270   8.742   0.689
  151    HB   VAL  25           HB       VAL  25  -8.980  10.578   0.687
  152   HG11  VAL  25          1HG1      VAL  25  -6.610  10.540   1.818
  153   HG12  VAL  25          2HG1      VAL  25  -7.610  11.991   1.864
  154   HG13  VAL  25          3HG1      VAL  25  -6.295  11.864   0.697
  155   HG21  VAL  25          3HG2      VAL  25  -9.136  12.109  -0.937
  156   HG22  VAL  25          1HG2      VAL  25  -8.140  11.016  -1.899
  157   HG23  VAL  25          2HG2      VAL  25  -7.387  12.336  -1.005
  158    H    GLY  26           H        GLY  26  -8.918   7.402   0.658
  159    HA2  GLY  26           2HA      GLY  26 -10.699   6.154  -0.061
  160    HA3  GLY  26           1HA      GLY  26 -11.065   7.463  -1.173
  161    H    ILE  27           H        ILE  27  -8.037   5.679  -1.177
  162    HA   ILE  27           HA       ILE  27  -8.888   4.360  -3.667
  163    HB   ILE  27           HB       ILE  27  -6.094   5.383  -3.192
  164   HG12  ILE  27          2HG1      ILE  27  -8.286   6.638  -4.862
  165   HG13  ILE  27          1HG1      ILE  27  -7.681   7.278  -3.339
  166   HG21  ILE  27          1HG2      ILE  27  -7.434   4.508  -5.743
  167   HG22  ILE  27          2HG2      ILE  27  -6.416   3.467  -4.748
  168   HG23  ILE  27          3HG2      ILE  27  -5.731   4.902  -5.510
  169   HD11  ILE  27          3HD1      ILE  27  -6.836   8.304  -5.527
  170   HD12  ILE  27          1HD1      ILE  27  -5.850   6.848  -5.665
  171   HD13  ILE  27          2HD1      ILE  27  -5.656   7.918  -4.275
  172    H    VAL  28           H        VAL  28  -8.405   2.265  -3.821
  173    HA   VAL  28           HA       VAL  28  -7.273   0.963  -1.487
  174    HB   VAL  28           HB       VAL  28  -7.996  -1.152  -2.574
  175   HG11  VAL  28          1HG1      VAL  28 -10.540   0.010  -2.745
  176   HG12  VAL  28          2HG1      VAL  28  -9.641   0.977  -1.576
  177   HG13  VAL  28          3HG1      VAL  28  -9.802  -0.763  -1.342
  178   HG21  VAL  28          3HG2      VAL  28  -8.015   0.362  -4.896
  179   HG22  VAL  28          1HG2      VAL  28  -9.723   0.097  -4.541
  180   HG23  VAL  28          2HG2      VAL  28  -8.634  -1.280  -4.708
  181    H    ALA  29           H        ALA  29  -6.479   1.538  -4.835
  182    HA   ALA  29           HA       ALA  29  -4.269  -0.307  -4.861
  183    HB1  ALA  29           1HB      ALA  29  -3.808   0.580  -7.078
  184    HB2  ALA  29           2HB      ALA  29  -4.970   1.881  -6.818
  185    HB3  ALA  29           3HB      ALA  29  -5.525   0.209  -6.913
  186    H    GLY  30           H        GLY  30  -2.090   0.194  -4.705
  187    HA2  GLY  30           2HA      GLY  30  -1.153   2.891  -4.521
  188    HA3  GLY  30           1HA      GLY  30  -1.280   2.137  -2.938
  189    H    VAL  31           H        VAL  31   0.885   2.061  -2.499
  190    HA   VAL  31           HA       VAL  31   2.348  -0.062  -3.809
  191    HB   VAL  31           HB       VAL  31   2.915   1.854  -5.222
  192   HG11  VAL  31          1HG1      VAL  31   3.203   3.204  -2.653
  193   HG12  VAL  31          2HG1      VAL  31   2.876   3.865  -4.255
  194   HG13  VAL  31          3HG1      VAL  31   4.534   3.512  -3.769
  195   HG21  VAL  31          3HG2      VAL  31   5.472   1.707  -3.867
  196   HG22  VAL  31          1HG2      VAL  31   4.997   1.110  -5.457
  197   HG23  VAL  31          2HG2      VAL  31   4.705   0.126  -4.023
  198    H    CYS  32           H        CYS  32   3.748  -1.070  -2.410
  199    HA   CYS  32           HA       CYS  32   3.589  -0.461   0.362
  200    HB2  CYS  32           2HB      CYS  32   5.819  -2.124  -0.759
  201    HB3  CYS  32           1HB      CYS  32   4.916  -2.349   0.730
  202    H    VAL  33           H        VAL  33   5.101   0.527   1.707
  203    HA   VAL  33           HA       VAL  33   6.700   2.539   0.551
  204    HB   VAL  33           HB       VAL  33   7.634   2.847   2.855
  205   HG11  VAL  33          1HG1      VAL  33   4.864   3.062   1.994
  206   HG12  VAL  33          2HG1      VAL  33   5.890   4.240   2.815
  207   HG13  VAL  33          3HG1      VAL  33   5.036   3.010   3.748
  208   HG21  VAL  33          3HG2      VAL  33   6.348   1.568   4.654
  209   HG22  VAL  33          1HG2      VAL  33   7.625   0.699   3.803
  210   HG23  VAL  33          2HG2      VAL  33   5.935   0.425   3.377
  Start of MODEL    3
    1    H1   GLY   1           1HT      GLY   1  14.653  -4.547  -2.853
    2    H2   GLY   1           2HT      GLY   1  13.802  -3.085  -2.935
    3    H3   GLY   1           3HT      GLY   1  12.988  -4.552  -3.164
    4    HA2  GLY   1           1HA      GLY   1  14.164  -4.847  -0.720
    5    HA3  GLY   1           2HA      GLY   1  13.588  -3.183  -0.739
    6    H    CYS   2           H        CYS   2  11.877  -3.524   0.700
    7    HA   CYS   2           HA       CYS   2  10.037  -5.641   0.455
    8    HB2  CYS   2           2HB      CYS   2   8.553  -3.955   1.802
    9    HB3  CYS   2           1HB      CYS   2   9.977  -4.670   2.547
   10    H    ALA   3           H        ALA   3  10.019  -2.317  -0.764
   11    HA   ALA   3           HA       ALA   3   7.457  -2.457  -1.965
   12    HB1  ALA   3           1HB      ALA   3   7.931  -0.381  -2.900
   13    HB2  ALA   3           2HB      ALA   3   9.659  -0.715  -3.015
   14    HB3  ALA   3           3HB      ALA   3   8.927  -0.386  -1.444
   15    H    GLY   4           H        GLY   4   6.937  -3.814  -3.549
   16    HA2  GLY   4           2HA      GLY   4   8.967  -4.982  -5.244
   17    HA3  GLY   4           1HA      GLY   4   7.251  -5.360  -5.257
   18    H    LYS   5           H        LYS   5   6.046  -3.045  -5.797
   19    HA   LYS   5           HA       LYS   5   7.127  -1.368  -7.739
   20    HB2  LYS   5           2HB      LYS   5   7.263  -3.484  -9.066
   21    HB3  LYS   5           1HB      LYS   5   5.515  -3.629  -8.945
   22    HG2  LYS   5           2HG      LYS   5   5.200  -1.626 -10.225
   23    HG3  LYS   5           1HG      LYS   5   6.934  -1.303 -10.223
   24    HD2  LYS   5           2HD      LYS   5   5.604  -3.700 -11.484
   25    HD3  LYS   5           1HD      LYS   5   6.171  -2.273 -12.353
   26    HE2  LYS   5           2HE      LYS   5   8.456  -2.724 -11.606
   27    HE3  LYS   5           1HE      LYS   5   7.892  -4.142 -10.724
   28    HZ1  LYS   5           3HZ      LYS   5   8.846  -4.746 -12.857
   29    HZ2  LYS   5           1HZ      LYS   5   7.731  -3.762 -13.665
   30    HZ3  LYS   5           2HZ      LYS   5   7.198  -5.125 -12.818
   31    H    ALA   6           H        ALA   6   4.269  -3.173  -6.763
   32    HA   ALA   6           HA       ALA   6   2.789  -0.747  -6.307
   33    HB1  ALA   6           1HB      ALA   6   2.553  -1.879  -8.831
   34    HB2  ALA   6           2HB      ALA   6   1.432  -0.741  -8.084
   35    HB3  ALA   6           3HB      ALA   6   1.143  -2.477  -7.958
   36    H    CYS   7           H        CYS   7   0.686  -1.228  -5.274
   37    HA   CYS   7           HA       CYS   7   0.319  -3.941  -4.304
   38    HB2  CYS   7           2HB      CYS   7   1.946  -3.005  -2.718
   39    HB3  CYS   7           1HB      CYS   7   0.878  -1.638  -2.419
   40    H    ASN   8           H        ASN   8  -1.799  -4.358  -3.789
   41    HA   ASN   8           HA       ASN   8  -3.639  -2.061  -3.819
   42    HB2  ASN   8           2HB      ASN   8  -3.758  -4.627  -5.349
   43    HB3  ASN   8           1HB      ASN   8  -5.268  -3.899  -4.809
   44   HD21  ASN   8          1HD2      ASN   8  -6.186  -2.766  -6.341
   45   HD22  ASN   8          2HD2      ASN   8  -5.383  -1.801  -7.524
   46    H    LEU   9           H        LEU   9  -5.035  -1.951  -2.199
   47    HA   LEU   9           HA       LEU   9  -4.881  -3.824  -0.040
   48    HB2  LEU   9           2HB      LEU   9  -5.195  -1.340   0.183
   49    HB3  LEU   9           1HB      LEU   9  -6.833  -1.552  -0.406
   50    HG   LEU   9           HG       LEU   9  -7.320  -2.997   1.551
   51   HD11  LEU   9          1HD1      LEU   9  -5.811  -3.316   3.307
   52   HD12  LEU   9          2HD1      LEU   9  -4.715  -2.069   2.713
   53   HD13  LEU   9          3HD1      LEU   9  -4.856  -3.602   1.852
   54   HD21  LEU   9          3HD2      LEU   9  -6.864  -1.005   3.255
   55   HD22  LEU   9          1HD2      LEU   9  -8.104  -0.915   2.003
   56   HD23  LEU   9          2HD2      LEU   9  -6.536  -0.147   1.749
   57    H    LEU  10           H        LEU  10  -5.641  -5.353  -2.045
   58    HA   LEU  10           HA       LEU  10  -8.491  -5.917  -1.537
   59    HB2  LEU  10           2HB      LEU  10  -6.938  -6.129  -4.113
   60    HB3  LEU  10           1HB      LEU  10  -8.424  -7.018  -3.857
   61    HG   LEU  10           HG       LEU  10  -9.039  -5.127  -5.096
   62   HD11  LEU  10          1HD1      LEU  10 -10.502  -3.871  -3.642
   63   HD12  LEU  10          2HD1      LEU  10  -9.605  -4.420  -2.225
   64   HD13  LEU  10          3HD1      LEU  10 -10.515  -5.578  -3.197
   65   HD21  LEU  10          3HD2      LEU  10  -7.282  -3.653  -5.095
   66   HD22  LEU  10          1HD2      LEU  10  -7.127  -3.665  -3.339
   67   HD23  LEU  10          2HD2      LEU  10  -8.453  -2.788  -4.101
   68    H    GLY  11           H        GLY  11  -5.342  -7.222  -2.439
   69    HA2  GLY  11           2HA      GLY  11  -5.412  -9.358  -0.628
   70    HA3  GLY  11           1HA      GLY  11  -5.947  -9.948  -2.198
   71    H    LEU  12           H        LEU  12  -3.497  -7.564  -1.261
   72    HA   LEU  12           HA       LEU  12  -1.371  -9.283  -2.248
   73    HB2  LEU  12           2HB      LEU  12  -2.346  -7.928  -4.181
   74    HB3  LEU  12           1HB      LEU  12  -1.746  -6.501  -3.368
   75    HG   LEU  12           HG       LEU  12  -0.353  -7.455  -5.285
   76   HD11  LEU  12          1HD1      LEU  12   0.592  -5.762  -3.926
   77   HD12  LEU  12          2HD1      LEU  12   1.800  -7.039  -4.070
   78   HD13  LEU  12          3HD1      LEU  12   0.852  -6.885  -2.591
   79   HD21  LEU  12          3HD2      LEU  12  -0.577  -9.821  -4.389
   80   HD22  LEU  12          1HD2      LEU  12   0.645  -9.369  -3.200
   81   HD23  LEU  12          2HD2      LEU  12   1.026  -9.316  -4.921
   82    H    THR  13           H        THR  13   0.537  -8.883  -1.224
   83    HA   THR  13           HA       THR  13   0.929  -6.420   0.243
   84    HB   THR  13           HB       THR  13  -0.277  -7.752   1.894
   85    HG1  THR  13           1HG      THR  13   2.462  -7.857   2.639
   86   HG21  THR  13          3HG2      THR  13   1.867  -9.825   1.421
   87   HG22  THR  13          1HG2      THR  13   0.140  -9.992   1.104
   88   HG23  THR  13          2HG2      THR  13   0.723  -9.858   2.763
   89    H    CYS  14           H        CYS  14   3.070  -5.965   0.572
   90    HA   CYS  14           HA       CYS  14   4.936  -7.638  -0.901
   91    HB2  CYS  14           2HB      CYS  14   5.383  -4.921   0.354
   92    HB3  CYS  14           1HB      CYS  14   6.412  -5.717  -0.833
   93    H    ASP  15           H        ASP  15   7.293  -6.743   0.537
   94    HA   ASP  15           HA       ASP  15   7.590  -8.820   2.374
   95    HB2  ASP  15           2HB      ASP  15   9.154  -6.253   2.099
   96    HB3  ASP  15           1HB      ASP  15   9.630  -7.575   3.155
   97    H    ALA  16           H        ALA  16   7.454  -8.984   4.551
   98    HA   ALA  16           HA       ALA  16   5.595  -7.380   5.920
   99    HB1  ALA  16           1HB      ALA  16   7.589  -9.396   6.937
  100    HB2  ALA  16           2HB      ALA  16   5.883  -9.660   6.574
  101    HB3  ALA  16           3HB      ALA  16   6.348  -8.643   7.940
  102    H    GLY  17           H        GLY  17   5.808  -5.543   6.997
  103    HA2  GLY  17           2HA      GLY  17   7.211  -4.366   8.718
  104    HA3  GLY  17           1HA      GLY  17   8.536  -4.575   7.578
  105    H    CYS  18           H        CYS  18   7.444  -3.952   5.207
  106    HA   CYS  18           HA       CYS  18   6.991  -1.097   5.484
  107    HB2  CYS  18           2HB      CYS  18   7.427  -2.763   2.992
  108    HB3  CYS  18           1HB      CYS  18   7.432  -1.003   3.082
  109    H    PHE  19           H        PHE  19   5.009  -0.436   5.681
  110    HA   PHE  19           HA       PHE  19   2.736  -2.003   5.202
  111    HB2  PHE  19           2HB      PHE  19   1.443   0.018   5.728
  112    HB3  PHE  19           1HB      PHE  19   2.739  -0.254   6.883
  113    HD1  PHE  19           2HD      PHE  19   1.644   1.843   4.039
  114    HD2  PHE  19           1HD      PHE  19   4.464   1.336   7.191
  115    HE1  PHE  19           2HE      PHE  19   2.425   4.148   3.703
  116    HE2  PHE  19           1HE      PHE  19   5.244   3.646   6.863
  117    HZ   PHE  19           HZ       PHE  19   4.228   5.053   5.117
  118    H    CYS  20           H        CYS  20   1.130  -1.938   3.708
  119    HA   CYS  20           HA       CYS  20   1.886  -1.216   1.034
  120    HB2  CYS  20           2HB      CYS  20   0.581  -3.248   1.445
  121    HB3  CYS  20           1HB      CYS  20  -0.704  -2.300   2.180
  122    H    ARG  21           H        ARG  21   2.038   0.984   0.876
  123    HA   ARG  21           HA       ARG  21   0.065   2.723   2.010
  124    HB2  ARG  21           2HB      ARG  21   2.468   3.322   1.789
  125    HB3  ARG  21           1HB      ARG  21   2.263   3.372   0.045
  126    HG2  ARG  21           2HG      ARG  21   0.402   5.096   0.563
  127    HG3  ARG  21           1HG      ARG  21   1.206   5.226   2.129
  128    HD2  ARG  21           2HD      ARG  21   2.138   6.919   0.748
  129    HD3  ARG  21           1HD      ARG  21   3.350   5.644   0.869
  130    HE   ARG  21           HE       ARG  21   3.087   5.195  -1.377
  131   HH11  ARG  21          1HH1      ARG  21   0.685   7.529  -0.357
  132   HH12  ARG  21          2HH1      ARG  21   0.042   7.773  -1.949
  133   HH21  ARG  21          1HH2      ARG  21   2.258   5.546  -3.502
  134   HH22  ARG  21          2HH2      ARG  21   0.951   6.661  -3.737
  135    HA   PRO  22           HA       PRO  22  -2.631   2.579  -1.554
  136    HB2  PRO  22           2HB      PRO  22  -4.371   4.467  -0.659
  137    HB3  PRO  22           1HB      PRO  22  -4.408   2.790  -0.111
  138    HG2  PRO  22           2HG      PRO  22  -3.305   5.205   1.245
  139    HG3  PRO  22           1HG      PRO  22  -4.141   3.810   1.946
  140    HD2  PRO  22           2HD      PRO  22  -1.417   4.164   2.015
  141    HD3  PRO  22           1HD      PRO  22  -2.214   2.582   2.092
  142    H    ASP  23           H        ASP  23  -3.196   4.110  -3.242
  143    HA   ASP  23           HA       ASP  23  -1.138   5.874  -3.894
  144    HB2  ASP  23           2HB      ASP  23  -2.729   4.955  -5.541
  145    HB3  ASP  23           1HB      ASP  23  -3.993   5.991  -4.880
  146    H    GLY  24           H        GLY  24  -4.384   6.663  -2.677
  147    HA2  GLY  24           2HA      GLY  24  -3.289   8.928  -1.250
  148    HA3  GLY  24           1HA      GLY  24  -4.418   9.329  -2.537
  149    H    VAL  25           H        VAL  25  -6.074  10.089  -1.316
  150    HA   VAL  25           HA       VAL  25  -7.050   8.567   0.935
  151    HB   VAL  25           HB       VAL  25  -8.777  10.381   1.102
  152   HG11  VAL  25          1HG1      VAL  25  -6.900  12.195   1.529
  153   HG12  VAL  25          2HG1      VAL  25  -5.841  10.806   1.288
  154   HG13  VAL  25          3HG1      VAL  25  -7.063  10.773   2.559
  155   HG21  VAL  25          3HG2      VAL  25  -7.150  11.960  -0.851
  156   HG22  VAL  25          1HG2      VAL  25  -8.797  12.235  -0.282
  157   HG23  VAL  25          2HG2      VAL  25  -8.465  10.934  -1.426
  158    H    GLY  26           H        GLY  26  -8.679   7.201   0.942
  159    HA2  GLY  26           2HA      GLY  26 -10.482   5.955   0.276
  160    HA3  GLY  26           1HA      GLY  26 -10.942   7.313  -0.735
  161    H    ILE  27           H        ILE  27  -7.914   5.536  -1.022
  162    HA   ILE  27           HA       ILE  27  -8.911   4.401  -3.548
  163    HB   ILE  27           HB       ILE  27  -6.074   5.329  -3.125
  164   HG12  ILE  27          2HG1      ILE  27  -8.316   6.728  -4.603
  165   HG13  ILE  27          1HG1      ILE  27  -7.603   7.266  -3.087
  166   HG21  ILE  27          1HG2      ILE  27  -6.824   3.505  -4.849
  167   HG22  ILE  27          2HG2      ILE  27  -5.661   4.750  -5.308
  168   HG23  ILE  27          3HG2      ILE  27  -7.354   4.906  -5.781
  169   HD11  ILE  27          3HD1      ILE  27  -5.447   7.551  -4.251
  170   HD12  ILE  27          1HD1      ILE  27  -6.731   8.571  -4.902
  171   HD13  ILE  27          2HD1      ILE  27  -6.241   7.113  -5.764
  172    H    VAL  28           H        VAL  28  -8.456   2.318  -3.902
  173    HA   VAL  28           HA       VAL  28  -7.313   0.798  -1.708
  174    HB   VAL  28           HB       VAL  28  -8.098  -1.195  -2.971
  175   HG11  VAL  28          1HG1      VAL  28  -9.883   1.009  -2.100
  176   HG12  VAL  28          2HG1      VAL  28  -9.688  -0.618  -1.447
  177   HG13  VAL  28          3HG1      VAL  28 -10.617  -0.366  -2.926
  178   HG21  VAL  28          3HG2      VAL  28  -8.279   0.708  -5.096
  179   HG22  VAL  28          1HG2      VAL  28  -9.874   0.013  -4.804
  180   HG23  VAL  28          2HG2      VAL  28  -8.502  -1.041  -5.153
  181    H    ALA  29           H        ALA  29  -6.540   1.708  -4.967
  182    HA   ALA  29           HA       ALA  29  -4.355  -0.171  -5.202
  183    HB1  ALA  29           1HB      ALA  29  -5.857   0.721  -7.109
  184    HB2  ALA  29           2HB      ALA  29  -4.124   0.557  -7.400
  185    HB3  ALA  29           3HB      ALA  29  -4.815   2.142  -7.051
  186    H    GLY  30           H        GLY  30  -2.160   0.379  -5.209
  187    HA2  GLY  30           2HA      GLY  30  -1.170   3.002  -4.954
  188    HA3  GLY  30           1HA      GLY  30  -1.345   2.300  -3.351
  189    H    VAL  31           H        VAL  31   0.824   2.196  -2.902
  190    HA   VAL  31           HA       VAL  31   2.206  -0.041  -4.102
  191    HB   VAL  31           HB       VAL  31   2.911   1.732  -5.604
  192   HG11  VAL  31          1HG1      VAL  31   2.979   3.826  -4.869
  193   HG12  VAL  31          2HG1      VAL  31   4.510   3.431  -4.089
  194   HG13  VAL  31          3HG1      VAL  31   3.001   3.301  -3.185
  195   HG21  VAL  31          3HG2      VAL  31   5.457   1.783  -4.543
  196   HG22  VAL  31          1HG2      VAL  31   4.791   0.536  -5.598
  197   HG23  VAL  31          2HG2      VAL  31   4.747   0.326  -3.848
  198    H    CYS  32           H        CYS  32   3.477  -1.061  -2.646
  199    HA   CYS  32           HA       CYS  32   3.372  -0.247   0.079
  200    HB2  CYS  32           2HB      CYS  32   4.993  -2.194   0.384
  201    HB3  CYS  32           1HB      CYS  32   3.422  -2.589  -0.301
  202    H    VAL  33           H        VAL  33   5.054   0.523   1.387
  203    HA   VAL  33           HA       VAL  33   6.985   2.133  -0.009
  204    HB   VAL  33           HB       VAL  33   7.701   2.875   2.240
  205   HG11  VAL  33          1HG1      VAL  33   5.126   3.502   2.889
  206   HG12  VAL  33          2HG1      VAL  33   4.982   3.096   1.179
  207   HG13  VAL  33          3HG1      VAL  33   6.106   4.352   1.695
  208   HG21  VAL  33          3HG2      VAL  33   6.618   0.462   3.094
  209   HG22  VAL  33          1HG2      VAL  33   5.515   1.688   3.720
  210   HG23  VAL  33          2HG2      VAL  33   7.232   1.763   4.114
  Start of MODEL    4
    1    H1   GLY   1           1HT      GLY   1  10.381   1.410   0.013
    2    H2   GLY   1           2HT      GLY   1  11.703   2.151  -0.745
    3    H3   GLY   1           3HT      GLY   1  11.812   0.542  -0.245
    4    HA2  GLY   1           1HA      GLY   1   9.645   1.110  -2.071
    5    HA3  GLY   1           2HA      GLY   1  11.261   1.281  -2.746
    6    H    CYS   2           H        CYS   2   9.606  -0.942  -0.503
    7    HA   CYS   2           HA       CYS   2  11.150  -3.175  -1.449
    8    HB2  CYS   2           2HB      CYS   2   8.680  -3.294   0.279
    9    HB3  CYS   2           1HB      CYS   2  10.020  -4.436   0.222
   10    H    ALA   3           H        ALA   3   8.041  -1.793  -2.147
   11    HA   ALA   3           HA       ALA   3   6.743  -3.978  -3.300
   12    HB1  ALA   3           1HB      ALA   3   5.126  -2.507  -3.729
   13    HB2  ALA   3           2HB      ALA   3   6.201  -1.471  -4.669
   14    HB3  ALA   3           3HB      ALA   3   6.147  -1.323  -2.912
   15    H    GLY   4           H        GLY   4   7.025  -5.063  -5.121
   16    HA2  GLY   4           2HA      GLY   4   9.244  -4.685  -6.796
   17    HA3  GLY   4           1HA      GLY   4   7.875  -5.731  -7.141
   18    H    LYS   5           H        LYS   5   5.885  -3.690  -7.144
   19    HA   LYS   5           HA       LYS   5   6.642  -1.747  -9.147
   20    HB2  LYS   5           2HB      LYS   5   4.860  -4.085  -9.775
   21    HB3  LYS   5           1HB      LYS   5   4.645  -2.551 -10.606
   22    HG2  LYS   5           2HG      LYS   5   7.202  -4.143 -10.555
   23    HG3  LYS   5           1HG      LYS   5   6.026  -4.142 -11.872
   24    HD2  LYS   5           2HD      LYS   5   6.460  -1.891 -12.402
   25    HD3  LYS   5           1HD      LYS   5   7.290  -1.606 -10.872
   26    HE2  LYS   5           2HE      LYS   5   8.286  -3.448 -13.041
   27    HE3  LYS   5           1HE      LYS   5   8.814  -1.779 -12.829
   28    HZ1  LYS   5           3HZ      LYS   5   9.040  -3.132 -10.371
   29    HZ2  LYS   5           1HZ      LYS   5  10.267  -2.452 -11.320
   30    HZ3  LYS   5           2HZ      LYS   5   9.802  -4.058 -11.567
   31    H    ALA   6           H        ALA   6   3.880  -3.315  -7.534
   32    HA   ALA   6           HA       ALA   6   3.006  -0.803  -6.450
   33    HB1  ALA   6           1HB      ALA   6   0.765  -0.861  -7.493
   34    HB2  ALA   6           2HB      ALA   6   1.310  -2.172  -8.538
   35    HB3  ALA   6           3HB      ALA   6   2.052  -0.578  -8.665
   36    H    CYS   7           H        CYS   7   0.677  -1.239  -5.450
   37    HA   CYS   7           HA       CYS   7   0.360  -3.965  -4.513
   38    HB2  CYS   7           2HB      CYS   7   2.007  -3.071  -2.941
   39    HB3  CYS   7           1HB      CYS   7   0.968  -1.687  -2.616
   40    H    ASN   8           H        ASN   8  -1.691  -4.292  -3.442
   41    HA   ASN   8           HA       ASN   8  -3.566  -2.043  -3.639
   42    HB2  ASN   8           2HB      ASN   8  -3.821  -4.747  -4.918
   43    HB3  ASN   8           1HB      ASN   8  -5.264  -3.879  -4.413
   44   HD21  ASN   8          1HD2      ASN   8  -6.178  -2.775  -5.969
   45   HD22  ASN   8          2HD2      ASN   8  -5.380  -2.047  -7.315
   46    H    LEU   9           H        LEU   9  -4.874  -1.859  -1.917
   47    HA   LEU   9           HA       LEU   9  -4.516  -3.644   0.307
   48    HB2  LEU   9           2HB      LEU   9  -6.186  -1.180  -0.128
   49    HB3  LEU   9           1HB      LEU   9  -6.329  -2.133   1.334
   50    HG   LEU   9           HG       LEU   9  -4.902  -0.313   1.841
   51   HD11  LEU   9          1HD1      LEU   9  -3.503  -2.925   1.479
   52   HD12  LEU   9          2HD1      LEU   9  -4.040  -2.129   2.959
   53   HD13  LEU   9          3HD1      LEU   9  -2.625  -1.525   2.096
   54   HD21  LEU   9          3HD2      LEU   9  -2.645  -0.595   0.193
   55   HD22  LEU   9          1HD2      LEU   9  -3.791   0.743   0.243
   56   HD23  LEU   9          2HD2      LEU   9  -4.048  -0.597  -0.876
   57    H    LEU  10           H        LEU  10  -5.517  -5.126  -1.737
   58    HA   LEU  10           HA       LEU  10  -8.321  -5.620  -0.975
   59    HB2  LEU  10           2HB      LEU  10  -6.847  -6.080  -3.560
   60    HB3  LEU  10           1HB      LEU  10  -8.335  -6.932  -3.197
   61    HG   LEU  10           HG       LEU  10  -8.937  -5.110  -4.568
   62   HD11  LEU  10          1HD1      LEU  10 -10.668  -4.393  -3.358
   63   HD12  LEU  10          2HD1      LEU  10  -9.636  -3.707  -2.103
   64   HD13  LEU  10          3HD1      LEU  10 -10.011  -5.430  -2.092
   65   HD21  LEU  10          3HD2      LEU  10  -7.124  -3.666  -4.597
   66   HD22  LEU  10          1HD2      LEU  10  -7.089  -3.514  -2.840
   67   HD23  LEU  10          2HD2      LEU  10  -8.367  -2.728  -3.769
   68    H    GLY  11           H        GLY  11  -6.615  -6.582   0.785
   69    HA2  GLY  11           2HA      GLY  11  -6.176  -8.555   1.906
   70    HA3  GLY  11           1HA      GLY  11  -6.977  -9.418   0.597
   71    H    LEU  12           H        LEU  12  -4.172  -7.271   0.563
   72    HA   LEU  12           HA       LEU  12  -2.438  -9.504  -0.158
   73    HB2  LEU  12           2HB      LEU  12  -3.402  -8.368  -2.227
   74    HB3  LEU  12           1HB      LEU  12  -2.522  -6.935  -1.750
   75    HG   LEU  12           HG       LEU  12  -1.492  -8.422  -3.556
   76   HD11  LEU  12          1HD1      LEU  12  -0.058  -7.395  -1.149
   77   HD12  LEU  12          2HD1      LEU  12  -0.080  -6.770  -2.798
   78   HD13  LEU  12          3HD1      LEU  12   0.831  -8.233  -2.421
   79   HD21  LEU  12          3HD2      LEU  12  -1.033 -10.542  -3.118
   80   HD22  LEU  12          1HD2      LEU  12  -1.778 -10.355  -1.530
   81   HD23  LEU  12          2HD2      LEU  12  -0.048 -10.075  -1.732
   82    H    THR  13           H        THR  13  -0.407  -9.274   0.648
   83    HA   THR  13           HA       THR  13   0.367  -6.678   1.744
   84    HB   THR  13           HB       THR  13  -0.545  -7.806   3.655
   85    HG1  THR  13           1HG      THR  13   2.289  -8.123   3.766
   86   HG21  THR  13          3HG2      THR  13   0.344 -10.004   4.410
   87   HG22  THR  13          1HG2      THR  13   1.200 -10.140   2.873
   88   HG23  THR  13          2HG2      THR  13  -0.564 -10.087   2.899
   89    H    CYS  14           H        CYS  14   2.484  -6.225   1.575
   90    HA   CYS  14           HA       CYS  14   4.101  -8.089   0.028
   91    HB2  CYS  14           2HB      CYS  14   5.601  -5.895   0.039
   92    HB3  CYS  14           1HB      CYS  14   4.217  -6.062  -1.039
   93    H    ASP  15           H        ASP  15   6.528  -6.594   0.898
   94    HA   ASP  15           HA       ASP  15   7.517  -8.404   2.775
   95    HB2  ASP  15           2HB      ASP  15   8.642  -5.640   2.363
   96    HB3  ASP  15           1HB      ASP  15   9.505  -7.124   2.751
   97    H    ALA  16           H        ALA  16   7.866  -8.325   4.938
   98    HA   ALA  16           HA       ALA  16   6.059  -6.885   6.548
   99    HB1  ALA  16           1HB      ALA  16   6.804  -8.947   7.397
  100    HB2  ALA  16           2HB      ALA  16   7.547  -7.731   8.435
  101    HB3  ALA  16           3HB      ALA  16   8.501  -8.519   7.178
  102    H    GLY  17           H        GLY  17   6.174  -4.906   7.385
  103    HA2  GLY  17           2HA      GLY  17   7.355  -3.141   8.503
  104    HA3  GLY  17           1HA      GLY  17   8.800  -3.599   7.609
  105    H    CYS  18           H        CYS  18   7.625  -3.846   5.068
  106    HA   CYS  18           HA       CYS  18   7.397  -1.032   4.368
  107    HB2  CYS  18           2HB      CYS  18   7.276  -3.301   2.405
  108    HB3  CYS  18           1HB      CYS  18   7.890  -1.669   2.172
  109    H    PHE  19           H        PHE  19   5.328  -0.929   5.489
  110    HA   PHE  19           HA       PHE  19   3.058  -2.352   4.870
  111    HB2  PHE  19           2HB      PHE  19   1.770  -0.454   5.751
  112    HB3  PHE  19           1HB      PHE  19   3.149  -0.847   6.766
  113    HD1  PHE  19           2HD      PHE  19   1.789   1.594   4.359
  114    HD2  PHE  19           1HD      PHE  19   4.888   0.722   7.146
  115    HE1  PHE  19           2HE      PHE  19   2.494   3.948   4.304
  116    HE2  PHE  19           1HE      PHE  19   5.592   3.079   7.101
  117    HZ   PHE  19           HZ       PHE  19   4.398   4.694   5.678
  118    H    CYS  20           H        CYS  20   1.447  -2.254   3.452
  119    HA   CYS  20           HA       CYS  20   1.985  -1.187   0.866
  120    HB2  CYS  20           2HB      CYS  20   0.796  -3.317   1.200
  121    HB3  CYS  20           1HB      CYS  20  -0.516  -2.467   2.005
  122    H    ARG  21           H        ARG  21   2.080   1.037   1.021
  123    HA   ARG  21           HA       ARG  21   0.006   2.558   2.291
  124    HB2  ARG  21           2HB      ARG  21   2.428   3.262   2.080
  125    HB3  ARG  21           1HB      ARG  21   2.111   3.565   0.377
  126    HG2  ARG  21           2HG      ARG  21   0.113   4.981   1.487
  127    HG3  ARG  21           1HG      ARG  21   1.330   5.108   2.755
  128    HD2  ARG  21           2HD      ARG  21   1.916   6.910   1.468
  129    HD3  ARG  21           1HD      ARG  21   2.900   5.664   0.702
  130    HE   ARG  21           HE       ARG  21   0.314   5.870  -0.503
  131   HH11  ARG  21          1HH1      ARG  21   3.509   7.307  -0.456
  132   HH12  ARG  21          2HH1      ARG  21   3.338   8.050  -2.009
  133   HH21  ARG  21          1HH2      ARG  21   0.071   6.866  -2.537
  134   HH22  ARG  21          2HH2      ARG  21   1.372   7.795  -3.203
  135    HA   PRO  22           HA       PRO  22  -2.656   2.629  -1.280
  136    HB2  PRO  22           2HB      PRO  22  -4.368   4.552  -0.402
  137    HB3  PRO  22           1HB      PRO  22  -4.440   2.872   0.137
  138    HG2  PRO  22           2HG      PRO  22  -3.329   5.262   1.522
  139    HG3  PRO  22           1HG      PRO  22  -4.169   3.858   2.203
  140    HD2  PRO  22           2HD      PRO  22  -1.442   4.226   2.274
  141    HD3  PRO  22           1HD      PRO  22  -2.236   2.647   2.375
  142    H    ASP  23           H        ASP  23  -3.204   4.113  -2.977
  143    HA   ASP  23           HA       ASP  23  -1.144   5.872  -3.670
  144    HB2  ASP  23           2HB      ASP  23  -2.836   4.795  -5.216
  145    HB3  ASP  23           1HB      ASP  23  -3.971   6.044  -4.712
  146    H    GLY  24           H        GLY  24  -4.441   6.652  -2.558
  147    HA2  GLY  24           2HA      GLY  24  -3.443   8.923  -1.105
  148    HA3  GLY  24           1HA      GLY  24  -4.408   9.353  -2.510
  149    H    VAL  25           H        VAL  25  -6.137  10.194  -1.465
  150    HA   VAL  25           HA       VAL  25  -7.409   8.782   0.693
  151    HB   VAL  25           HB       VAL  25  -9.110  10.624   0.572
  152   HG11  VAL  25          1HG1      VAL  25  -7.808  11.593   2.085
  153   HG12  VAL  25          2HG1      VAL  25  -6.785  12.264   0.814
  154   HG13  VAL  25          3HG1      VAL  25  -6.438  10.666   1.474
  155   HG21  VAL  25          3HG2      VAL  25  -8.553  12.609  -0.774
  156   HG22  VAL  25          1HG2      VAL  25  -8.904  11.204  -1.781
  157   HG23  VAL  25          2HG2      VAL  25  -7.234  11.713  -1.529
  158    H    GLY  26           H        GLY  26  -9.038   7.431   0.582
  159    HA2  GLY  26           2HA      GLY  26 -10.768   6.161  -0.215
  160    HA3  GLY  26           1HA      GLY  26 -11.108   7.477  -1.326
  161    H    ILE  27           H        ILE  27  -8.067   5.704  -1.245
  162    HA   ILE  27           HA       ILE  27  -8.831   4.449  -3.796
  163    HB   ILE  27           HB       ILE  27  -6.041   5.384  -3.155
  164   HG12  ILE  27          2HG1      ILE  27  -8.130   6.725  -4.889
  165   HG13  ILE  27          1HG1      ILE  27  -7.548   7.328  -3.342
  166   HG21  ILE  27          1HG2      ILE  27  -5.408   4.403  -5.054
  167   HG22  ILE  27          2HG2      ILE  27  -6.782   5.063  -5.941
  168   HG23  ILE  27          3HG2      ILE  27  -6.963   3.572  -5.017
  169   HD11  ILE  27          3HD1      ILE  27  -5.554   6.845  -5.481
  170   HD12  ILE  27          1HD1      ILE  27  -5.587   8.072  -4.215
  171   HD13  ILE  27          2HD1      ILE  27  -6.625   8.239  -5.631
  172    H    VAL  28           H        VAL  28  -8.414   2.357  -3.989
  173    HA   VAL  28           HA       VAL  28  -7.468   0.924  -1.650
  174    HB   VAL  28           HB       VAL  28  -8.207  -1.110  -2.876
  175   HG11  VAL  28          1HG1      VAL  28  -9.842   1.068  -1.924
  176   HG12  VAL  28          2HG1      VAL  28 -10.048  -0.671  -1.708
  177   HG13  VAL  28          3HG1      VAL  28 -10.691   0.121  -3.147
  178   HG21  VAL  28          3HG2      VAL  28  -9.769   0.242  -4.886
  179   HG22  VAL  28          1HG2      VAL  28  -8.639  -1.101  -5.060
  180   HG23  VAL  28          2HG2      VAL  28  -8.049   0.562  -5.110
  181    H    ALA  29           H        ALA  29  -6.405   1.708  -4.850
  182    HA   ALA  29           HA       ALA  29  -4.273  -0.249  -4.856
  183    HB1  ALA  29           1HB      ALA  29  -4.986   1.974  -6.766
  184    HB2  ALA  29           2HB      ALA  29  -5.276   0.247  -6.977
  185    HB3  ALA  29           3HB      ALA  29  -3.627   0.873  -6.993
  186    H    GLY  30           H        GLY  30  -2.039   0.287  -4.790
  187    HA2  GLY  30           2HA      GLY  30  -1.141   2.953  -4.326
  188    HA3  GLY  30           1HA      GLY  30  -1.261   2.056  -2.818
  189    H    VAL  31           H        VAL  31   0.960   2.131  -2.477
  190    HA   VAL  31           HA       VAL  31   2.419   0.054  -3.867
  191    HB   VAL  31           HB       VAL  31   2.888   2.007  -5.270
  192   HG11  VAL  31          1HG1      VAL  31   4.436   3.395  -3.169
  193   HG12  VAL  31          2HG1      VAL  31   2.680   3.538  -3.095
  194   HG13  VAL  31          3HG1      VAL  31   3.546   4.045  -4.545
  195   HG21  VAL  31          3HG2      VAL  31   5.075   1.510  -5.555
  196   HG22  VAL  31          1HG2      VAL  31   4.687   0.230  -4.404
  197   HG23  VAL  31          2HG2      VAL  31   5.460   1.713  -3.846
  198    H    CYS  32           H        CYS  32   3.900  -0.922  -2.569
  199    HA   CYS  32           HA       CYS  32   3.848  -0.358   0.222
  200    HB2  CYS  32           2HB      CYS  32   5.787  -2.135  -1.277
  201    HB3  CYS  32           1HB      CYS  32   5.411  -2.203   0.441
  202    H    VAL  33           H        VAL  33   5.373   0.625   1.502
  203    HA   VAL  33           HA       VAL  33   6.995   2.600   0.282
  204    HB   VAL  33           HB       VAL  33   7.800   3.089   2.570
  205   HG11  VAL  33          1HG1      VAL  33   5.586   3.704   3.494
  206   HG12  VAL  33          2HG1      VAL  33   4.828   2.722   2.240
  207   HG13  VAL  33          3HG1      VAL  33   5.780   4.139   1.796
  208   HG21  VAL  33          3HG2      VAL  33   5.900   1.177   3.781
  209   HG22  VAL  33          1HG2      VAL  33   7.460   1.756   4.368
  210   HG23  VAL  33          2HG2      VAL  33   7.395   0.493   3.138
  Start of MODEL    5
    1    H1   GLY   1           1HT      GLY   1  11.568   2.978   0.674
    2    H2   GLY   1           2HT      GLY   1  11.806   1.414   1.269
    3    H3   GLY   1           3HT      GLY   1  10.233   2.022   1.099
    4    HA2  GLY   1           1HA      GLY   1  10.169   1.691  -1.126
    5    HA3  GLY   1           2HA      GLY   1  11.901   1.952  -1.299
    6    H    CYS   2           H        CYS   2   9.899  -0.277   0.625
    7    HA   CYS   2           HA       CYS   2  11.726  -2.454   0.037
    8    HB2  CYS   2           2HB      CYS   2   9.148  -2.879   1.475
    9    HB3  CYS   2           1HB      CYS   2  10.744  -3.542   1.816
   10    H    ALA   3           H        ALA   3   8.839  -1.146  -1.189
   11    HA   ALA   3           HA       ALA   3   7.517  -3.413  -2.157
   12    HB1  ALA   3           1HB      ALA   3   6.104  -1.973  -3.186
   13    HB2  ALA   3           2HB      ALA   3   7.405  -0.926  -3.756
   14    HB3  ALA   3           3HB      ALA   3   6.879  -0.844  -2.074
   15    H    GLY   4           H        GLY   4   8.111  -4.846  -3.593
   16    HA2  GLY   4           2HA      GLY   4  10.194  -4.220  -5.544
   17    HA3  GLY   4           1HA      GLY   4   9.529  -5.817  -5.204
   18    H    LYS   5           H        LYS   5   6.823  -4.484  -5.247
   19    HA   LYS   5           HA       LYS   5   6.401  -3.846  -8.047
   20    HB2  LYS   5           2HB      LYS   5   5.086  -6.220  -6.699
   21    HB3  LYS   5           1HB      LYS   5   4.582  -5.547  -8.239
   22    HG2  LYS   5           2HG      LYS   5   6.650  -6.198  -9.266
   23    HG3  LYS   5           1HG      LYS   5   7.302  -6.722  -7.711
   24    HD2  LYS   5           2HD      LYS   5   4.907  -7.914  -9.110
   25    HD3  LYS   5           1HD      LYS   5   6.521  -8.626  -9.042
   26    HE2  LYS   5           2HE      LYS   5   6.370  -8.848  -6.646
   27    HE3  LYS   5           1HE      LYS   5   4.826  -7.998  -6.629
   28    HZ1  LYS   5           3HZ      LYS   5   3.953  -9.841  -8.042
   29    HZ2  LYS   5           1HZ      LYS   5   4.373 -10.295  -6.467
   30    HZ3  LYS   5           2HZ      LYS   5   5.395 -10.677  -7.759
   31    H    ALA   6           H        ALA   6   4.026  -3.293  -8.373
   32    HA   ALA   6           HA       ALA   6   3.192  -1.424  -6.425
   33    HB1  ALA   6           1HB      ALA   6   0.953  -1.797  -7.904
   34    HB2  ALA   6           2HB      ALA   6   2.182  -2.414  -9.008
   35    HB3  ALA   6           3HB      ALA   6   2.299  -0.767  -8.389
   36    H    CYS   7           H        CYS   7   1.484  -1.514  -4.935
   37    HA   CYS   7           HA       CYS   7   0.426  -4.215  -4.430
   38    HB2  CYS   7           2HB      CYS   7   2.170  -3.552  -2.787
   39    HB3  CYS   7           1HB      CYS   7   1.186  -2.164  -2.341
   40    H    ASN   8           H        ASN   8  -1.697  -4.252  -4.736
   41    HA   ASN   8           HA       ASN   8  -3.253  -1.810  -4.704
   42    HB2  ASN   8           2HB      ASN   8  -3.418  -3.986  -6.252
   43    HB3  ASN   8           1HB      ASN   8  -4.547  -4.473  -4.997
   44   HD21  ASN   8          1HD2      ASN   8  -6.520  -3.490  -4.862
   45   HD22  ASN   8          2HD2      ASN   8  -7.095  -2.360  -6.033
   46    H    LEU   9           H        LEU   9  -2.124  -2.991  -2.185
   47    HA   LEU   9           HA       LEU   9  -2.677  -3.354  -0.015
   48    HB2  LEU   9           2HB      LEU   9  -3.715  -1.102  -0.466
   49    HB3  LEU   9           1HB      LEU   9  -5.243  -1.926  -0.698
   50    HG   LEU   9           HG       LEU   9  -5.139  -2.742   1.634
   51   HD11  LEU   9          1HD1      LEU   9  -2.485  -2.274   1.509
   52   HD12  LEU   9          2HD1      LEU   9  -3.391  -2.432   3.014
   53   HD13  LEU   9          3HD1      LEU   9  -3.026  -0.832   2.369
   54   HD21  LEU   9          3HD2      LEU   9  -5.181   0.140   0.923
   55   HD22  LEU   9          1HD2      LEU   9  -5.178  -0.289   2.633
   56   HD23  LEU   9          2HD2      LEU   9  -6.459  -0.885   1.576
   57    H    LEU  10           H        LEU  10  -3.261  -5.467  -1.755
   58    HA   LEU  10           HA       LEU  10  -5.535  -6.706  -0.363
   59    HB2  LEU  10           2HB      LEU  10  -4.792  -7.023  -3.277
   60    HB3  LEU  10           1HB      LEU  10  -5.996  -7.988  -2.449
   61    HG   LEU  10           HG       LEU  10  -6.162  -5.000  -2.856
   62   HD11  LEU  10          1HD1      LEU  10  -7.916  -5.528  -4.477
   63   HD12  LEU  10          2HD1      LEU  10  -7.596  -7.249  -4.262
   64   HD13  LEU  10          3HD1      LEU  10  -6.361  -6.204  -4.963
   65   HD21  LEU  10          3HD2      LEU  10  -8.196  -6.968  -1.810
   66   HD22  LEU  10          1HD2      LEU  10  -8.456  -5.244  -2.072
   67   HD23  LEU  10          2HD2      LEU  10  -7.315  -5.785  -0.842
   68    H    GLY  11           H        GLY  11  -2.835  -6.789   0.407
   69    HA2  GLY  11           2HA      GLY  11  -2.346  -9.309   1.147
   70    HA3  GLY  11           1HA      GLY  11  -1.744  -9.317  -0.505
   71    H    LEU  12           H        LEU  12   0.400  -9.394  -0.279
   72    HA   LEU  12           HA       LEU  12   1.753  -7.080   0.780
   73    HB2  LEU  12           2HB      LEU  12   1.316  -8.862   2.667
   74    HB3  LEU  12           1HB      LEU  12   2.622  -9.731   1.892
   75    HG   LEU  12           HG       LEU  12   3.232  -8.308   3.900
   76   HD11  LEU  12          1HD1      LEU  12   5.002  -9.090   2.573
   77   HD12  LEU  12          2HD1      LEU  12   5.282  -7.359   2.764
   78   HD13  LEU  12          3HD1      LEU  12   4.612  -7.984   1.256
   79   HD21  LEU  12          3HD2      LEU  12   3.653  -5.893   3.342
   80   HD22  LEU  12          1HD2      LEU  12   1.959  -6.343   3.533
   81   HD23  LEU  12          2HD2      LEU  12   2.638  -6.124   1.919
   82    H    THR  13           H        THR  13   3.614  -6.740  -0.354
   83    HA   THR  13           HA       THR  13   4.854  -8.933  -1.801
   84    HB   THR  13           HB       THR  13   3.175  -8.225  -3.392
   85    HG1  THR  13           1HG      THR  13   5.810  -7.348  -4.005
   86   HG21  THR  13          3HG2      THR  13   3.403  -5.832  -4.333
   87   HG22  THR  13          1HG2      THR  13   4.205  -5.469  -2.805
   88   HG23  THR  13          2HG2      THR  13   2.542  -6.058  -2.810
   89    H    CYS  14           H        CYS  14   5.902  -7.681   0.309
   90    HA   CYS  14           HA       CYS  14   8.311  -6.563  -0.754
   91    HB2  CYS  14           2HB      CYS  14   8.081  -4.526   0.850
   92    HB3  CYS  14           1HB      CYS  14   7.309  -4.461  -0.725
   93    H    ASP  15           H        ASP  15   9.097  -5.342   1.719
   94    HA   ASP  15           HA       ASP  15  10.009  -7.644   3.101
   95    HB2  ASP  15           2HB      ASP  15  10.149  -4.701   3.766
   96    HB3  ASP  15           1HB      ASP  15  10.879  -5.950   4.770
   97    H    ALA  16           H        ALA  16   9.511  -8.397   5.135
   98    HA   ALA  16           HA       ALA  16   6.778  -8.195   5.923
   99    HB1  ALA  16           1HB      ALA  16   7.798 -10.299   6.228
  100    HB2  ALA  16           2HB      ALA  16   7.561  -9.650   7.850
  101    HB3  ALA  16           3HB      ALA  16   9.160  -9.600   7.105
  102    H    GLY  17           H        GLY  17   7.096  -5.755   6.119
  103    HA2  GLY  17           2HA      GLY  17   6.792  -4.983   8.793
  104    HA3  GLY  17           1HA      GLY  17   8.440  -4.604   8.304
  105    H    CYS  18           H        CYS  18   7.592  -4.158   5.515
  106    HA   CYS  18           HA       CYS  18   6.789  -1.400   5.832
  107    HB2  CYS  18           2HB      CYS  18   7.469  -2.848   3.265
  108    HB3  CYS  18           1HB      CYS  18   7.517  -1.113   3.570
  109    H    PHE  19           H        PHE  19   4.774  -0.834   5.719
  110    HA   PHE  19           HA       PHE  19   2.724  -2.644   4.852
  111    HB2  PHE  19           2HB      PHE  19   1.165  -0.853   5.580
  112    HB3  PHE  19           1HB      PHE  19   2.319  -1.310   6.826
  113    HD1  PHE  19           2HD      PHE  19   1.446   1.320   4.365
  114    HD2  PHE  19           1HD      PHE  19   3.842   0.254   7.723
  115    HE1  PHE  19           2HE      PHE  19   2.082   3.674   4.653
  116    HE2  PHE  19           1HE      PHE  19   4.476   2.612   8.018
  117    HZ   PHE  19           HZ       PHE  19   3.598   4.323   6.483
  118    H    CYS  20           H        CYS  20   1.205  -2.323   3.223
  119    HA   CYS  20           HA       CYS  20   2.203  -1.007   0.872
  120    HB2  CYS  20           2HB      CYS  20  -0.391  -2.446   1.474
  121    HB3  CYS  20           1HB      CYS  20  -0.034  -1.725  -0.092
  122    H    ARG  21           H        ARG  21   2.017   1.135   0.611
  123    HA   ARG  21           HA       ARG  21  -0.023   2.573   2.101
  124    HB2  ARG  21           2HB      ARG  21   2.447   3.277   1.859
  125    HB3  ARG  21           1HB      ARG  21   1.991   3.813   0.247
  126    HG2  ARG  21           2HG      ARG  21   0.057   4.990   1.685
  127    HG3  ARG  21           1HG      ARG  21   1.353   4.962   2.879
  128    HD2  ARG  21           2HD      ARG  21   1.708   6.986   1.796
  129    HD3  ARG  21           1HD      ARG  21   2.804   5.902   0.938
  130    HE   ARG  21           HE       ARG  21   0.234   6.001  -0.305
  131   HH11  ARG  21          1HH1      ARG  21   3.265   7.735  -0.029
  132   HH12  ARG  21          2HH1      ARG  21   3.051   8.598  -1.514
  133   HH21  ARG  21          1HH2      ARG  21  -0.062   7.144  -2.248
  134   HH22  ARG  21          2HH2      ARG  21   1.150   8.258  -2.785
  135    HA   PRO  22           HA       PRO  22  -2.657   2.769  -1.470
  136    HB2  PRO  22           2HB      PRO  22  -4.404   4.615  -0.511
  137    HB3  PRO  22           1HB      PRO  22  -4.438   2.914  -0.040
  138    HG2  PRO  22           2HG      PRO  22  -3.364   5.272   1.433
  139    HG3  PRO  22           1HG      PRO  22  -4.194   3.837   2.060
  140    HD2  PRO  22           2HD      PRO  22  -1.478   4.218   2.163
  141    HD3  PRO  22           1HD      PRO  22  -2.255   2.627   2.176
  142    H    ASP  23           H        ASP  23  -3.233   4.290  -3.100
  143    HA   ASP  23           HA       ASP  23  -1.239   6.131  -3.753
  144    HB2  ASP  23           2HB      ASP  23  -2.875   5.046  -5.333
  145    HB3  ASP  23           1HB      ASP  23  -4.084   6.193  -4.766
  146    H    GLY  24           H        GLY  24  -4.583   6.821  -2.708
  147    HA2  GLY  24           2HA      GLY  24  -3.636   9.087  -1.185
  148    HA3  GLY  24           1HA      GLY  24  -4.640   9.495  -2.569
  149    H    VAL  25           H        VAL  25  -6.380  10.262  -1.489
  150    HA   VAL  25           HA       VAL  25  -7.563   8.784   0.674
  151    HB   VAL  25           HB       VAL  25  -9.311  10.574   0.638
  152   HG11  VAL  25          1HG1      VAL  25  -7.417  12.440   1.052
  153   HG12  VAL  25          2HG1      VAL  25  -6.428  10.980   1.099
  154   HG13  VAL  25          3HG1      VAL  25  -7.791  11.156   2.202
  155   HG21  VAL  25          3HG2      VAL  25  -7.777  12.415  -0.993
  156   HG22  VAL  25          1HG2      VAL  25  -9.503  12.052  -1.021
  157   HG23  VAL  25          2HG2      VAL  25  -8.375  11.046  -1.931
  158    H    GLY  26           H        GLY  26  -9.257   7.493   0.624
  159    HA2  GLY  26           2HA      GLY  26 -11.011   6.233  -0.152
  160    HA3  GLY  26           1HA      GLY  26 -11.276   7.482  -1.357
  161    H    ILE  27           H        ILE  27  -8.245   5.760  -1.081
  162    HA   ILE  27           HA       ILE  27  -8.946   4.139  -3.429
  163    HB   ILE  27           HB       ILE  27  -6.263   5.481  -3.171
  164   HG12  ILE  27          2HG1      ILE  27  -8.612   6.394  -4.850
  165   HG13  ILE  27          1HG1      ILE  27  -7.991   7.228  -3.426
  166   HG21  ILE  27          1HG2      ILE  27  -6.216   3.524  -4.533
  167   HG22  ILE  27          2HG2      ILE  27  -6.151   4.924  -5.604
  168   HG23  ILE  27          3HG2      ILE  27  -7.660   4.032  -5.409
  169   HD11  ILE  27          3HD1      ILE  27  -6.059   6.694  -5.592
  170   HD12  ILE  27          1HD1      ILE  27  -6.234   8.100  -4.542
  171   HD13  ILE  27          2HD1      ILE  27  -7.317   7.886  -5.919
  172    H    VAL  28           H        VAL  28  -8.227   2.106  -3.320
  173    HA   VAL  28           HA       VAL  28  -6.736   1.320  -0.939
  174    HB   VAL  28           HB       VAL  28  -7.314  -1.019  -1.607
  175   HG11  VAL  28          1HG1      VAL  28  -9.309   1.077  -0.959
  176   HG12  VAL  28          2HG1      VAL  28  -8.788  -0.323  -0.021
  177   HG13  VAL  28          3HG1      VAL  28  -9.915  -0.530  -1.361
  178   HG21  VAL  28          3HG2      VAL  28  -9.415  -0.142  -3.463
  179   HG22  VAL  28          1HG2      VAL  28  -8.369  -1.561  -3.519
  180   HG23  VAL  28          2HG2      VAL  28  -7.771  -0.002  -4.089
  181    H    ALA  29           H        ALA  29  -6.501   1.354  -4.418
  182    HA   ALA  29           HA       ALA  29  -4.199  -0.258  -4.682
  183    HB1  ALA  29           1HB      ALA  29  -5.559   1.760  -6.425
  184    HB2  ALA  29           2HB      ALA  29  -5.391   0.017  -6.650
  185    HB3  ALA  29           3HB      ALA  29  -4.000   1.078  -6.890
  186    H    GLY  30           H        GLY  30  -2.040   0.258  -4.720
  187    HA2  GLY  30           2HA      GLY  30  -1.029   2.894  -4.790
  188    HA3  GLY  30           1HA      GLY  30  -1.132   2.353  -3.121
  189    H    VAL  31           H        VAL  31   0.980   2.146  -2.641
  190    HA   VAL  31           HA       VAL  31   2.367  -0.099  -3.836
  191    HB   VAL  31           HB       VAL  31   3.024   1.806  -5.272
  192   HG11  VAL  31          1HG1      VAL  31   3.837   3.004  -2.658
  193   HG12  VAL  31          2HG1      VAL  31   2.939   3.728  -3.993
  194   HG13  VAL  31          3HG1      VAL  31   4.675   3.451  -4.144
  195   HG21  VAL  31          3HG2      VAL  31   4.632   0.129  -5.223
  196   HG22  VAL  31          1HG2      VAL  31   5.086   0.477  -3.555
  197   HG23  VAL  31          2HG2      VAL  31   5.549   1.587  -4.845
  198    H    CYS  32           H        CYS  32   3.843  -1.027  -2.466
  199    HA   CYS  32           HA       CYS  32   3.560  -0.544   0.303
  200    HB2  CYS  32           2HB      CYS  32   4.097  -2.756  -0.631
  201    HB3  CYS  32           1HB      CYS  32   5.647  -2.150  -1.194
  202    H    VAL  33           H        VAL  33   4.968   0.441   1.778
  203    HA   VAL  33           HA       VAL  33   6.493   2.608   0.743
  204    HB   VAL  33           HB       VAL  33   7.099   3.058   3.112
  205   HG11  VAL  33          1HG1      VAL  33   5.239   4.258   2.819
  206   HG12  VAL  33          2HG1      VAL  33   4.433   2.992   3.745
  207   HG13  VAL  33          3HG1      VAL  33   4.415   2.943   1.981
  208   HG21  VAL  33          3HG2      VAL  33   5.297   0.744   3.801
  209   HG22  VAL  33          1HG2      VAL  33   6.249   1.745   4.900
  210   HG23  VAL  33          2HG2      VAL  33   7.058   0.631   3.797
  Start of MODEL    6
    1    H1   GLY   1           1HT      GLY   1  11.735   1.276   2.480
    2    H2   GLY   1           2HT      GLY   1  10.816  -0.069   2.024
    3    H3   GLY   1           3HT      GLY   1  10.250   1.496   1.691
    4    HA2  GLY   1           1HA      GLY   1  11.398   1.655  -0.183
    5    HA3  GLY   1           2HA      GLY   1  12.850   1.030   0.590
    6    H    CYS   2           H        CYS   2   9.629  -0.394   0.127
    7    HA   CYS   2           HA       CYS   2  10.928  -2.596  -1.354
    8    HB2  CYS   2           2HB      CYS   2   8.481  -2.846   0.395
    9    HB3  CYS   2           1HB      CYS   2   9.440  -4.141  -0.308
   10    H    ALA   3           H        ALA   3   9.922  -0.286  -2.535
   11    HA   ALA   3           HA       ALA   3   7.261  -0.685  -3.497
   12    HB1  ALA   3           1HB      ALA   3   8.126   1.110  -5.201
   13    HB2  ALA   3           2HB      ALA   3   9.432   1.268  -4.025
   14    HB3  ALA   3           3HB      ALA   3   7.759   1.535  -3.530
   15    H    GLY   4           H        GLY   4   7.683  -2.913  -4.169
   16    HA2  GLY   4           2HA      GLY   4   9.364  -3.702  -6.240
   17    HA3  GLY   4           1HA      GLY   4   7.844  -4.486  -5.838
   18    H    LYS   5           H        LYS   5   6.059  -2.444  -6.420
   19    HA   LYS   5           HA       LYS   5   6.446  -1.201  -8.902
   20    HB2  LYS   5           2HB      LYS   5   6.444  -3.563  -9.714
   21    HB3  LYS   5           1HB      LYS   5   4.811  -3.742  -9.083
   22    HG2  LYS   5           2HG      LYS   5   4.841  -3.322 -11.498
   23    HG3  LYS   5           1HG      LYS   5   3.999  -2.050 -10.611
   24    HD2  LYS   5           2HD      LYS   5   6.069  -0.689 -10.689
   25    HD3  LYS   5           1HD      LYS   5   6.818  -1.942 -11.680
   26    HE2  LYS   5           2HE      LYS   5   5.152  -1.606 -13.409
   27    HE3  LYS   5           1HE      LYS   5   4.320  -0.418 -12.406
   28    HZ1  LYS   5           3HZ      LYS   5   7.143  -0.079 -13.224
   29    HZ2  LYS   5           1HZ      LYS   5   6.077   1.091 -12.623
   30    HZ3  LYS   5           2HZ      LYS   5   5.860   0.469 -14.181
   31    H    ALA   6           H        ALA   6   3.958  -2.924  -7.040
   32    HA   ALA   6           HA       ALA   6   2.550  -0.553  -6.369
   33    HB1  ALA   6           1HB      ALA   6   0.506  -0.920  -7.636
   34    HB2  ALA   6           2HB      ALA   6   1.227  -2.320  -8.432
   35    HB3  ALA   6           3HB      ALA   6   1.868  -0.706  -8.736
   36    H    CYS   7           H        CYS   7   0.624  -1.032  -5.079
   37    HA   CYS   7           HA       CYS   7   0.202  -3.802  -4.334
   38    HB2  CYS   7           2HB      CYS   7   2.036  -3.238  -2.854
   39    HB3  CYS   7           1HB      CYS   7   1.215  -1.763  -2.346
   40    H    ASN   8           H        ASN   8  -1.850  -4.159  -3.703
   41    HA   ASN   8           HA       ASN   8  -3.567  -1.801  -3.328
   42    HB2  ASN   8           2HB      ASN   8  -4.120  -4.539  -4.459
   43    HB3  ASN   8           1HB      ASN   8  -5.426  -3.523  -3.864
   44   HD21  ASN   8          1HD2      ASN   8  -6.440  -2.604  -5.482
   45   HD22  ASN   8          2HD2      ASN   8  -5.713  -1.947  -6.904
   46    H    LEU   9           H        LEU   9  -4.796  -1.651  -1.490
   47    HA   LEU   9           HA       LEU   9  -4.007  -3.262   0.735
   48    HB2  LEU   9           2HB      LEU   9  -5.858  -1.894   1.904
   49    HB3  LEU   9           1HB      LEU   9  -4.409  -1.082   1.353
   50    HG   LEU   9           HG       LEU   9  -5.770  -0.471  -0.746
   51   HD11  LEU   9          1HD1      LEU   9  -8.009  -0.742  -0.820
   52   HD12  LEU   9          2HD1      LEU   9  -8.196  -0.612   0.930
   53   HD13  LEU   9          3HD1      LEU   9  -7.642  -2.124   0.212
   54   HD21  LEU   9          3HD2      LEU   9  -6.401   1.548   0.216
   55   HD22  LEU   9          1HD2      LEU   9  -5.101   0.979   1.264
   56   HD23  LEU   9          2HD2      LEU   9  -6.782   0.802   1.767
   57    H    LEU  10           H        LEU  10  -5.083  -4.914  -1.163
   58    HA   LEU  10           HA       LEU  10  -7.470  -5.950   0.211
   59    HB2  LEU  10           2HB      LEU  10  -6.929  -5.936  -2.766
   60    HB3  LEU  10           1HB      LEU  10  -8.261  -6.779  -1.997
   61    HG   LEU  10           HG       LEU  10  -7.869  -3.783  -1.951
   62   HD11  LEU  10          1HD1      LEU  10 -10.085  -5.106  -3.420
   63   HD12  LEU  10          2HD1      LEU  10  -8.486  -5.089  -4.163
   64   HD13  LEU  10          3HD1      LEU  10  -9.275  -3.572  -3.732
   65   HD21  LEU  10          3HD2      LEU  10  -9.294  -5.325  -0.200
   66   HD22  LEU  10          1HD2      LEU  10 -10.510  -4.915  -1.409
   67   HD23  LEU  10          2HD2      LEU  10  -9.630  -3.635  -0.575
   68    H    GLY  11           H        GLY  11  -4.620  -6.484   0.506
   69    HA2  GLY  11           2HA      GLY  11  -4.584  -9.205   0.861
   70    HA3  GLY  11           1HA      GLY  11  -3.980  -8.954  -0.773
   71    H    LEU  12           H        LEU  12  -1.875  -9.547  -0.422
   72    HA   LEU  12           HA       LEU  12  -0.247  -7.619   1.027
   73    HB2  LEU  12           2HB      LEU  12  -0.257 -10.580   1.606
   74    HB3  LEU  12           1HB      LEU  12   1.089  -9.539   2.024
   75    HG   LEU  12           HG       LEU  12  -1.722  -9.189   3.073
   76   HD11  LEU  12          1HD1      LEU  12  -1.222 -10.972   4.331
   77   HD12  LEU  12          2HD1      LEU  12  -0.149  -9.873   5.196
   78   HD13  LEU  12          3HD1      LEU  12   0.490 -10.906   3.917
   79   HD21  LEU  12          3HD2      LEU  12   0.721  -7.598   3.203
   80   HD22  LEU  12          1HD2      LEU  12   0.032  -7.959   4.787
   81   HD23  LEU  12          2HD2      LEU  12  -0.946  -7.149   3.563
   82    H    THR  13           H        THR  13   1.609  -7.201  -0.022
   83    HA   THR  13           HA       THR  13   2.987  -9.090  -1.630
   84    HB   THR  13           HB       THR  13   1.196  -8.666  -3.221
   85    HG1  THR  13           1HG      THR  13   3.674  -7.436  -3.889
   86   HG21  THR  13          3HG2      THR  13   0.588  -6.541  -4.046
   87   HG22  THR  13          1HG2      THR  13   1.985  -5.764  -3.301
   88   HG23  THR  13          2HG2      THR  13   0.665  -6.357  -2.295
   89    H    CYS  14           H        CYS  14   3.695  -7.523   0.506
   90    HA   CYS  14           HA       CYS  14   5.714  -5.764  -0.694
   91    HB2  CYS  14           2HB      CYS  14   4.194  -5.125   1.845
   92    HB3  CYS  14           1HB      CYS  14   5.436  -4.135   1.089
   93    H    ASP  15           H        ASP  15   7.709  -5.881   0.256
   94    HA   ASP  15           HA       ASP  15   8.396  -8.178   1.699
   95    HB2  ASP  15           2HB      ASP  15   9.992  -5.611   1.566
   96    HB3  ASP  15           1HB      ASP  15  10.611  -7.230   1.869
   97    H    ALA  16           H        ALA  16   9.032  -8.471   3.842
   98    HA   ALA  16           HA       ALA  16   7.435  -7.399   5.814
   99    HB1  ALA  16           1HB      ALA  16   8.630  -8.659   7.325
  100    HB2  ALA  16           2HB      ALA  16  10.170  -8.364   6.517
  101    HB3  ALA  16           3HB      ALA  16   9.001  -9.479   5.809
  102    H    GLY  17           H        GLY  17   7.382  -5.559   6.892
  103    HA2  GLY  17           2HA      GLY  17   8.529  -3.877   8.215
  104    HA3  GLY  17           1HA      GLY  17   9.828  -3.919   7.029
  105    H    CYS  18           H        CYS  18   8.276  -3.878   4.695
  106    HA   CYS  18           HA       CYS  18   7.508  -1.075   4.686
  107    HB2  CYS  18           2HB      CYS  18   7.782  -3.062   2.421
  108    HB3  CYS  18           1HB      CYS  18   7.452  -1.343   2.233
  109    H    PHE  19           H        PHE  19   5.495  -0.675   5.287
  110    HA   PHE  19           HA       PHE  19   3.382  -2.576   4.950
  111    HB2  PHE  19           2HB      PHE  19   1.938  -0.854   5.954
  112    HB3  PHE  19           1HB      PHE  19   3.392  -1.118   6.903
  113    HD1  PHE  19           1HD      PHE  19   1.708   1.210   4.579
  114    HD2  PHE  19           2HD      PHE  19   4.940   0.628   7.290
  115    HE1  PHE  19           1HE      PHE  19   2.173   3.622   4.536
  116    HE2  PHE  19           2HE      PHE  19   5.411   3.041   7.248
  117    HZ   PHE  19           HZ       PHE  19   4.026   4.543   5.872
  118    H    CYS  20           H        CYS  20   1.565  -2.414   3.641
  119    HA   CYS  20           HA       CYS  20   2.033  -1.310   1.051
  120    HB2  CYS  20           2HB      CYS  20   0.769  -3.417   1.449
  121    HB3  CYS  20           1HB      CYS  20  -0.506  -2.482   2.218
  122    H    ARG  21           H        ARG  21   1.695   0.760   0.501
  123    HA   ARG  21           HA       ARG  21  -0.212   2.311   2.115
  124    HB2  ARG  21           2HB      ARG  21   2.272   2.966   1.995
  125    HB3  ARG  21           1HB      ARG  21   1.924   3.481   0.349
  126    HG2  ARG  21           2HG      ARG  21  -0.053   4.748   1.634
  127    HG3  ARG  21           1HG      ARG  21   1.150   4.693   2.922
  128    HD2  ARG  21           2HD      ARG  21   1.687   6.674   1.870
  129    HD3  ARG  21           1HD      ARG  21   2.766   5.543   1.054
  130    HE   ARG  21           HE       ARG  21   0.276   5.768  -0.318
  131   HH11  ARG  21          1HH1      ARG  21   3.355   7.368   0.158
  132   HH12  ARG  21          2HH1      ARG  21   3.245   8.294  -1.301
  133   HH21  ARG  21          1HH2      ARG  21   0.111   7.001  -2.228
  134   HH22  ARG  21          2HH2      ARG  21   1.394   8.079  -2.669
  135    HA   PRO  22           HA       PRO  22  -2.697   2.571  -1.563
  136    HB2  PRO  22           2HB      PRO  22  -4.425   4.475  -0.684
  137    HB3  PRO  22           1HB      PRO  22  -4.520   2.784  -0.183
  138    HG2  PRO  22           2HG      PRO  22  -3.398   5.135   1.272
  139    HG3  PRO  22           1HG      PRO  22  -4.323   3.762   1.902
  140    HD2  PRO  22           2HD      PRO  22  -1.605   3.994   2.113
  141    HD3  PRO  22           1HD      PRO  22  -2.459   2.442   2.092
  142    H    ASP  23           H        ASP  23  -3.243   4.168  -3.194
  143    HA   ASP  23           HA       ASP  23  -1.130   5.904  -3.805
  144    HB2  ASP  23           2HB      ASP  23  -2.664   4.987  -5.499
  145    HB3  ASP  23           1HB      ASP  23  -3.971   5.969  -4.849
  146    H    GLY  24           H        GLY  24  -4.421   6.705  -2.711
  147    HA2  GLY  24           2HA      GLY  24  -3.375   8.921  -1.178
  148    HA3  GLY  24           1HA      GLY  24  -4.410   9.373  -2.526
  149    H    VAL  25           H        VAL  25  -6.131  10.140  -1.406
  150    HA   VAL  25           HA       VAL  25  -7.275   8.609   0.755
  151    HB   VAL  25           HB       VAL  25  -8.991  10.440   0.817
  152   HG11  VAL  25          1HG1      VAL  25  -6.062  11.077   1.064
  153   HG12  VAL  25          2HG1      VAL  25  -7.189  10.599   2.334
  154   HG13  VAL  25          3HG1      VAL  25  -7.328  12.190   1.584
  155   HG21  VAL  25          3HG2      VAL  25  -8.613  12.466  -0.452
  156   HG22  VAL  25          1HG2      VAL  25  -8.808  11.105  -1.557
  157   HG23  VAL  25          2HG2      VAL  25  -7.201  11.752  -1.228
  158    H    GLY  26           H        GLY  26  -8.927   7.278   0.655
  159    HA2  GLY  26           2HA      GLY  26 -10.698   6.056  -0.133
  160    HA3  GLY  26           1HA      GLY  26 -11.062   7.416  -1.182
  161    H    ILE  27           H        ILE  27  -8.045   5.598  -1.243
  162    HA   ILE  27           HA       ILE  27  -8.883   4.446  -3.820
  163    HB   ILE  27           HB       ILE  27  -6.077   5.373  -3.227
  164   HG12  ILE  27          2HG1      ILE  27  -8.215   6.748  -4.873
  165   HG13  ILE  27          1HG1      ILE  27  -7.605   7.309  -3.320
  166   HG21  ILE  27          1HG2      ILE  27  -5.492   4.633  -5.281
  167   HG22  ILE  27          2HG2      ILE  27  -7.067   5.009  -5.982
  168   HG23  ILE  27          3HG2      ILE  27  -6.856   3.545  -5.023
  169   HD11  ILE  27          3HD1      ILE  27  -6.264   7.307  -5.986
  170   HD12  ILE  27          1HD1      ILE  27  -5.313   7.350  -4.501
  171   HD13  ILE  27          2HD1      ILE  27  -6.479   8.630  -4.839
  172    H    VAL  28           H        VAL  28  -8.426   2.357  -4.116
  173    HA   VAL  28           HA       VAL  28  -7.439   0.863  -1.835
  174    HB   VAL  28           HB       VAL  28  -8.169  -1.144  -3.086
  175   HG11  VAL  28          1HG1      VAL  28 -10.464  -0.833  -2.720
  176   HG12  VAL  28          2HG1      VAL  28 -10.384   0.883  -3.121
  177   HG13  VAL  28          3HG1      VAL  28  -9.679   0.294  -1.614
  178   HG21  VAL  28          3HG2      VAL  28  -8.616  -1.132  -5.270
  179   HG22  VAL  28          1HG2      VAL  28  -7.980   0.512  -5.313
  180   HG23  VAL  28          2HG2      VAL  28  -9.711   0.241  -5.103
  181    H    ALA  29           H        ALA  29  -6.449   1.705  -5.055
  182    HA   ALA  29           HA       ALA  29  -4.270  -0.188  -5.120
  183    HB1  ALA  29           1HB      ALA  29  -5.591   0.649  -7.142
  184    HB2  ALA  29           2HB      ALA  29  -3.835   0.589  -7.293
  185    HB3  ALA  29           3HB      ALA  29  -4.642   2.129  -6.997
  186    H    GLY  30           H        GLY  30  -2.066   0.359  -5.035
  187    HA2  GLY  30           2HA      GLY  30  -1.152   3.017  -4.590
  188    HA3  GLY  30           1HA      GLY  30  -1.276   2.136  -3.074
  189    H    VAL  31           H        VAL  31   0.950   2.142  -2.720
  190    HA   VAL  31           HA       VAL  31   2.359   0.044  -4.127
  191    HB   VAL  31           HB       VAL  31   2.838   2.059  -5.491
  192   HG11  VAL  31          1HG1      VAL  31   3.520   4.021  -4.673
  193   HG12  VAL  31          2HG1      VAL  31   4.651   3.269  -3.548
  194   HG13  VAL  31          3HG1      VAL  31   2.947   3.410  -3.121
  195   HG21  VAL  31          3HG2      VAL  31   5.385   1.889  -5.287
  196   HG22  VAL  31          1HG2      VAL  31   4.486   0.415  -5.644
  197   HG23  VAL  31          2HG2      VAL  31   5.071   0.716  -4.008
  198    H    CYS  32           H        CYS  32   4.066  -0.828  -2.926
  199    HA   CYS  32           HA       CYS  32   3.901  -0.536  -0.114
  200    HB2  CYS  32           2HB      CYS  32   6.207  -1.766  -1.629
  201    HB3  CYS  32           1HB      CYS  32   5.660  -2.150  -0.001
  202    H    VAL  33           H        VAL  33   5.138   0.641   1.295
  203    HA   VAL  33           HA       VAL  33   6.619   2.845   0.237
  204    HB   VAL  33           HB       VAL  33   7.072   3.425   2.600
  205   HG11  VAL  33          1HG1      VAL  33   4.688   3.752   3.254
  206   HG12  VAL  33          2HG1      VAL  33   4.228   2.742   1.884
  207   HG13  VAL  33          3HG1      VAL  33   5.066   4.269   1.611
  208   HG21  VAL  33          3HG2      VAL  33   6.232   2.121   4.409
  209   HG22  VAL  33          1HG2      VAL  33   7.190   1.046   3.389
  210   HG23  VAL  33          2HG2      VAL  33   5.427   1.003   3.306
  Start of MODEL    7
    1    H1   GLY   1           1HT      GLY   1  11.949   2.291   0.743
    2    H2   GLY   1           2HT      GLY   1  11.266   0.861   1.324
    3    H3   GLY   1           3HT      GLY   1  10.268   2.172   0.928
    4    HA2  GLY   1           1HA      GLY   1  10.022   1.345  -1.085
    5    HA3  GLY   1           2HA      GLY   1  11.736   1.645  -1.350
    6    H    CYS   2           H        CYS   2   9.644  -0.617  -1.913
    7    HA   CYS   2           HA       CYS   2  11.557  -2.731  -1.868
    8    HB2  CYS   2           2HB      CYS   2  10.494  -4.240  -0.327
    9    HB3  CYS   2           1HB      CYS   2  10.785  -2.722   0.517
   10    H    ALA   3           H        ALA   3   8.281  -1.615  -2.378
   11    HA   ALA   3           HA       ALA   3   7.110  -3.797  -3.594
   12    HB1  ALA   3           1HB      ALA   3   6.063  -1.763  -5.047
   13    HB2  ALA   3           2HB      ALA   3   6.682  -0.897  -3.641
   14    HB3  ALA   3           3HB      ALA   3   5.530  -2.216  -3.428
   15    H    GLY   4           H        GLY   4   7.466  -4.886  -5.400
   16    HA2  GLY   4           2HA      GLY   4   9.502  -4.020  -7.249
   17    HA3  GLY   4           1HA      GLY   4   8.596  -5.524  -7.322
   18    H    LYS   5           H        LYS   5   6.500  -2.969  -6.928
   19    HA   LYS   5           HA       LYS   5   6.293  -1.820  -9.455
   20    HB2  LYS   5           2HB      LYS   5   5.773  -4.129 -10.189
   21    HB3  LYS   5           1HB      LYS   5   4.411  -4.163  -9.078
   22    HG2  LYS   5           2HG      LYS   5   3.382  -2.306 -10.311
   23    HG3  LYS   5           1HG      LYS   5   4.738  -2.321 -11.439
   24    HD2  LYS   5           2HD      LYS   5   3.105  -3.556 -12.546
   25    HD3  LYS   5           1HD      LYS   5   4.115  -4.799 -11.810
   26    HE2  LYS   5           2HE      LYS   5   1.618  -3.745 -10.503
   27    HE3  LYS   5           1HE      LYS   5   1.602  -5.108 -11.619
   28    HZ1  LYS   5           3HZ      LYS   5   3.594  -5.551  -9.696
   29    HZ2  LYS   5           1HZ      LYS   5   2.171  -6.430  -9.958
   30    HZ3  LYS   5           2HZ      LYS   5   2.171  -5.122  -8.887
   31    H    ALA   6           H        ALA   6   3.969  -3.301  -7.181
   32    HA   ALA   6           HA       ALA   6   3.251  -0.958  -5.832
   33    HB1  ALA   6           1HB      ALA   6   2.287  -0.087  -7.824
   34    HB2  ALA   6           2HB      ALA   6   0.944  -0.665  -6.838
   35    HB3  ALA   6           3HB      ALA   6   1.512  -1.626  -8.203
   36    H    CYS   7           H        CYS   7   1.262  -1.289  -4.495
   37    HA   CYS   7           HA       CYS   7   0.235  -3.992  -4.387
   38    HB2  CYS   7           2HB      CYS   7   2.259  -4.154  -2.996
   39    HB3  CYS   7           1HB      CYS   7   1.692  -2.807  -2.015
   40    H    ASN   8           H        ASN   8  -1.873  -3.937  -3.880
   41    HA   ASN   8           HA       ASN   8  -3.132  -1.441  -3.260
   42    HB2  ASN   8           2HB      ASN   8  -4.158  -4.258  -3.613
   43    HB3  ASN   8           1HB      ASN   8  -5.215  -2.935  -3.134
   44   HD21  ASN   8          1HD2      ASN   8  -6.407  -2.452  -4.808
   45   HD22  ASN   8          2HD2      ASN   8  -5.845  -2.194  -6.422
   46    H    LEU   9           H        LEU   9  -4.474  -1.024  -1.411
   47    HA   LEU   9           HA       LEU   9  -3.300  -1.915   1.059
   48    HB2  LEU   9           2HB      LEU   9  -4.168   0.402   0.631
   49    HB3  LEU   9           1HB      LEU   9  -5.791  -0.254   0.637
   50    HG   LEU   9           HG       LEU   9  -5.462  -0.962   2.997
   51   HD11  LEU   9          1HD1      LEU   9  -3.002  -1.135   2.918
   52   HD12  LEU   9          2HD1      LEU   9  -3.576  -0.142   4.257
   53   HD13  LEU   9          3HD1      LEU   9  -2.905   0.623   2.817
   54   HD21  LEU   9          3HD2      LEU   9  -5.475   1.363   3.932
   55   HD22  LEU   9          1HD2      LEU   9  -6.607   1.090   2.608
   56   HD23  LEU   9          2HD2      LEU   9  -5.095   1.947   2.312
   57    H    LEU  10           H        LEU  10  -4.238  -4.087  -0.283
   58    HA   LEU  10           HA       LEU  10  -6.776  -4.854   0.917
   59    HB2  LEU  10           2HB      LEU  10  -6.311  -6.990  -0.463
   60    HB3  LEU  10           1HB      LEU  10  -6.780  -5.523  -1.293
   61    HG   LEU  10           HG       LEU  10  -4.342  -5.135  -1.804
   62   HD11  LEU  10          1HD1      LEU  10  -3.833  -7.061   0.039
   63   HD12  LEU  10          2HD1      LEU  10  -2.712  -6.585  -1.237
   64   HD13  LEU  10          3HD1      LEU  10  -3.749  -7.994  -1.454
   65   HD21  LEU  10          3HD2      LEU  10  -4.856  -5.998  -3.777
   66   HD22  LEU  10          1HD2      LEU  10  -6.260  -6.760  -3.029
   67   HD23  LEU  10          2HD2      LEU  10  -4.737  -7.640  -3.145
   68    H    GLY  11           H        GLY  11  -3.482  -5.035   1.502
   69    HA2  GLY  11           2HA      GLY  11  -3.655  -6.258   3.965
   70    HA3  GLY  11           1HA      GLY  11  -3.314  -7.547   2.816
   71    H    LEU  12           H        LEU  12  -1.238  -8.028   2.789
   72    HA   LEU  12           HA       LEU  12   0.733  -5.984   2.323
   73    HB2  LEU  12           2HB      LEU  12   0.540  -5.936   4.782
   74    HB3  LEU  12           1HB      LEU  12   0.868  -7.657   4.839
   75    HG   LEU  12           HG       LEU  12   3.124  -7.256   3.937
   76   HD11  LEU  12          1HD1      LEU  12   2.029  -4.709   3.310
   77   HD12  LEU  12          2HD1      LEU  12   3.613  -5.365   2.896
   78   HD13  LEU  12          3HD1      LEU  12   3.391  -4.481   4.406
   79   HD21  LEU  12          3HD2      LEU  12   3.029  -5.368   6.194
   80   HD22  LEU  12          1HD2      LEU  12   3.970  -6.843   5.983
   81   HD23  LEU  12          2HD2      LEU  12   2.278  -6.939   6.472
   82    H    THR  13           H        THR  13   2.264  -6.784   1.029
   83    HA   THR  13           HA       THR  13   3.083  -9.545   1.168
   84    HB   THR  13           HB       THR  13   1.052  -9.731  -0.206
   85    HG1  THR  13           1HG      THR  13   3.528 -10.081  -1.564
   86   HG21  THR  13          3HG2      THR  13   0.480  -8.115  -1.625
   87   HG22  THR  13          1HG2      THR  13   1.859  -8.539  -2.639
   88   HG23  THR  13          2HG2      THR  13   2.032  -7.316  -1.381
   89    H    CYS  14           H        CYS  14   4.298  -7.007   1.538
   90    HA   CYS  14           HA       CYS  14   6.103  -6.793  -0.767
   91    HB2  CYS  14           2HB      CYS  14   6.030  -4.869   1.545
   92    HB3  CYS  14           1HB      CYS  14   6.567  -4.586  -0.107
   93    H    ASP  15           H        ASP  15   8.091  -5.435   0.964
   94    HA   ASP  15           HA       ASP  15   9.356  -7.841   2.035
   95    HB2  ASP  15           2HB      ASP  15  10.517  -6.194   0.432
   96    HB3  ASP  15           1HB      ASP  15  10.594  -5.095   1.801
   97    H    ALA  16           H        ALA  16  10.957  -6.859   3.970
   98    HA   ALA  16           HA       ALA  16   9.095  -6.474   6.128
   99    HB1  ALA  16           1HB      ALA  16  11.534  -6.248   7.288
  100    HB2  ALA  16           2HB      ALA  16  11.929  -7.171   5.838
  101    HB3  ALA  16           3HB      ALA  16  10.716  -7.776   6.966
  102    H    GLY  17           H        GLY  17   8.475  -4.631   7.000
  103    HA2  GLY  17           2HA      GLY  17   8.649  -2.494   7.880
  104    HA3  GLY  17           1HA      GLY  17  10.249  -2.359   7.174
  105    H    CYS  18           H        CYS  18   7.467  -3.227   5.228
  106    HA   CYS  18           HA       CYS  18   7.074  -0.493   4.375
  107    HB2  CYS  18           2HB      CYS  18   7.412  -1.118   1.949
  108    HB3  CYS  18           1HB      CYS  18   8.876  -0.989   2.916
  109    H    PHE  19           H        PHE  19   4.978  -0.411   4.720
  110    HA   PHE  19           HA       PHE  19   3.228  -2.626   4.161
  111    HB2  PHE  19           2HB      PHE  19   1.434  -1.046   4.962
  112    HB3  PHE  19           1HB      PHE  19   2.704  -1.398   6.125
  113    HD1  PHE  19           2HD      PHE  19   1.431   1.175   3.774
  114    HD2  PHE  19           1HD      PHE  19   4.032   0.310   7.037
  115    HE1  PHE  19           2HE      PHE  19   1.795   3.580   4.120
  116    HE2  PHE  19           1HE      PHE  19   4.390   2.716   7.389
  117    HZ   PHE  19           HZ       PHE  19   3.276   4.357   5.930
  118    H    CYS  20           H        CYS  20   1.345  -2.495   2.865
  119    HA   CYS  20           HA       CYS  20   1.859  -1.421   0.259
  120    HB2  CYS  20           2HB      CYS  20  -0.548  -2.851   1.403
  121    HB3  CYS  20           1HB      CYS  20  -0.340  -2.450  -0.300
  122    H    ARG  21           H        ARG  21   1.969   0.810   1.191
  123    HA   ARG  21           HA       ARG  21  -0.275   2.174   2.163
  124    HB2  ARG  21           2HB      ARG  21   1.986   3.050   2.388
  125    HB3  ARG  21           1HB      ARG  21   2.120   3.218   0.641
  126    HG2  ARG  21           2HG      ARG  21   0.028   4.730   0.888
  127    HG3  ARG  21           1HG      ARG  21   0.517   4.819   2.579
  128    HD2  ARG  21           2HD      ARG  21   2.318   6.099   2.128
  129    HD3  ARG  21           1HD      ARG  21   2.660   5.264   0.612
  130    HE   ARG  21           HE       ARG  21   0.359   6.695   0.127
  131   HH11  ARG  21          1HH1      ARG  21   3.599   7.471   1.204
  132   HH12  ARG  21          2HH1      ARG  21   3.629   9.030   0.441
  133   HH21  ARG  21          1HH2      ARG  21   0.371   8.749  -0.913
  134   HH22  ARG  21          2HH2      ARG  21   1.773   9.765  -0.773
  135    HA   PRO  22           HA       PRO  22  -2.691   2.569  -1.576
  136    HB2  PRO  22           2HB      PRO  22  -4.461   4.406  -0.641
  137    HB3  PRO  22           1HB      PRO  22  -4.554   2.686  -0.239
  138    HG2  PRO  22           2HG      PRO  22  -3.442   4.953   1.368
  139    HG3  PRO  22           1HG      PRO  22  -4.431   3.582   1.900
  140    HD2  PRO  22           2HD      PRO  22  -1.744   3.676   2.250
  141    HD3  PRO  22           1HD      PRO  22  -2.628   2.155   2.003
  142    H    ASP  23           H        ASP  23  -3.184   4.223  -3.139
  143    HA   ASP  23           HA       ASP  23  -1.080   6.013  -3.593
  144    HB2  ASP  23           2HB      ASP  23  -2.513   5.180  -5.390
  145    HB3  ASP  23           1HB      ASP  23  -3.884   6.065  -4.726
  146    H    GLY  24           H        GLY  24  -4.444   6.816  -2.720
  147    HA2  GLY  24           2HA      GLY  24  -3.470   8.973  -1.040
  148    HA3  GLY  24           1HA      GLY  24  -4.435   9.456  -2.427
  149    H    VAL  25           H        VAL  25  -6.190  10.221  -1.372
  150    HA   VAL  25           HA       VAL  25  -7.446   8.690   0.717
  151    HB   VAL  25           HB       VAL  25  -9.144  10.518   0.738
  152   HG11  VAL  25          1HG1      VAL  25  -7.524  10.880   2.318
  153   HG12  VAL  25          2HG1      VAL  25  -7.345  12.332   1.334
  154   HG13  VAL  25          3HG1      VAL  25  -6.228  10.983   1.125
  155   HG21  VAL  25          3HG2      VAL  25  -8.350  11.052  -1.807
  156   HG22  VAL  25          1HG2      VAL  25  -7.480  12.294  -0.907
  157   HG23  VAL  25          2HG2      VAL  25  -9.235  12.178  -0.777
  158    H    GLY  26           H        GLY  26  -9.142   7.421   0.576
  159    HA2  GLY  26           2HA      GLY  26 -10.889   6.209  -0.274
  160    HA3  GLY  26           1HA      GLY  26 -11.171   7.548  -1.372
  161    H    ILE  27           H        ILE  27  -8.184   5.690  -1.247
  162    HA   ILE  27           HA       ILE  27  -8.933   4.437  -3.800
  163    HB   ILE  27           HB       ILE  27  -6.157   5.447  -3.204
  164   HG12  ILE  27          2HG1      ILE  27  -8.285   6.713  -4.948
  165   HG13  ILE  27          1HG1      ILE  27  -7.712   7.354  -3.412
  166   HG21  ILE  27          1HG2      ILE  27  -6.792   3.514  -4.890
  167   HG22  ILE  27          2HG2      ILE  27  -5.545   4.702  -5.271
  168   HG23  ILE  27          3HG2      ILE  27  -7.168   4.884  -5.936
  169   HD11  ILE  27          3HD1      ILE  27  -5.934   8.302  -4.357
  170   HD12  ILE  27          1HD1      ILE  27  -6.782   8.049  -5.882
  171   HD13  ILE  27          2HD1      ILE  27  -5.579   6.879  -5.337
  172    H    VAL  28           H        VAL  28  -8.455   2.347  -3.969
  173    HA   VAL  28           HA       VAL  28  -7.406   0.996  -1.624
  174    HB   VAL  28           HB       VAL  28  -8.104  -1.093  -2.773
  175   HG11  VAL  28          1HG1      VAL  28  -9.799  -0.469  -1.402
  176   HG12  VAL  28          2HG1      VAL  28 -10.639  -0.262  -2.939
  177   HG13  VAL  28          3HG1      VAL  28  -9.939   1.136  -2.122
  178   HG21  VAL  28          3HG2      VAL  28  -8.007   0.455  -5.069
  179   HG22  VAL  28          1HG2      VAL  28  -9.732   0.201  -4.796
  180   HG23  VAL  28          2HG2      VAL  28  -8.649  -1.184  -4.935
  181    H    ALA  29           H        ALA  29  -6.533   1.632  -4.938
  182    HA   ALA  29           HA       ALA  29  -4.350  -0.215  -5.005
  183    HB1  ALA  29           1HB      ALA  29  -3.742   1.325  -7.045
  184    HB2  ALA  29           2HB      ALA  29  -5.385   1.920  -6.809
  185    HB3  ALA  29           3HB      ALA  29  -5.105   0.209  -7.130
  186    H    GLY  30           H        GLY  30  -2.139   0.259  -4.858
  187    HA2  GLY  30           2HA      GLY  30  -1.187   2.892  -4.342
  188    HA3  GLY  30           1HA      GLY  30  -1.327   1.961  -2.857
  189    H    VAL  31           H        VAL  31   0.941   2.097  -2.593
  190    HA   VAL  31           HA       VAL  31   2.343  -0.038  -3.964
  191    HB   VAL  31           HB       VAL  31   2.753   1.916  -5.413
  192   HG11  VAL  31          1HG1      VAL  31   2.540   3.670  -3.721
  193   HG12  VAL  31          2HG1      VAL  31   4.044   3.820  -4.628
  194   HG13  VAL  31          3HG1      VAL  31   4.062   3.153  -2.997
  195   HG21  VAL  31          3HG2      VAL  31   5.265   1.211  -3.913
  196   HG22  VAL  31          1HG2      VAL  31   5.112   1.682  -5.606
  197   HG23  VAL  31          2HG2      VAL  31   4.476   0.130  -5.062
  198    H    CYS  32           H        CYS  32   4.004  -0.910  -2.736
  199    HA   CYS  32           HA       CYS  32   3.963  -0.516   0.051
  200    HB2  CYS  32           2HB      CYS  32   6.326  -1.636  -1.453
  201    HB3  CYS  32           1HB      CYS  32   5.778  -2.051   0.164
  202    H    VAL  33           H        VAL  33   5.077   0.852   1.355
  203    HA   VAL  33           HA       VAL  33   6.390   3.096   0.240
  204    HB   VAL  33           HB       VAL  33   7.006   3.640   2.617
  205   HG11  VAL  33          1HG1      VAL  33   4.897   4.345   1.475
  206   HG12  VAL  33          2HG1      VAL  33   4.784   4.246   3.233
  207   HG13  VAL  33          3HG1      VAL  33   4.097   2.967   2.232
  208   HG21  VAL  33          3HG2      VAL  33   7.062   1.218   3.333
  209   HG22  VAL  33          1HG2      VAL  33   5.300   1.265   3.329
  210   HG23  VAL  33          2HG2      VAL  33   6.207   2.317   4.415
  Start of MODEL    8
    1    H1   GLY   1           1HT      GLY   1   8.841   0.306  -1.806
    2    H2   GLY   1           2HT      GLY   1   9.480   1.701  -2.514
    3    H3   GLY   1           3HT      GLY   1   9.479   1.530  -0.825
    4    HA2  GLY   1           1HA      GLY   1  11.403   0.652  -2.720
    5    HA3  GLY   1           2HA      GLY   1  11.519   0.745  -0.969
    6    H    CYS   2           H        CYS   2   9.537  -1.023  -0.184
    7    HA   CYS   2           HA       CYS   2  10.772  -3.557  -0.966
    8    HB2  CYS   2           2HB      CYS   2   8.660  -3.265   1.143
    9    HB3  CYS   2           1HB      CYS   2   9.974  -4.430   1.039
   10    H    ALA   3           H        ALA   3   9.013  -2.128  -2.712
   11    HA   ALA   3           HA       ALA   3   6.828  -4.085  -2.975
   12    HB1  ALA   3           1HB      ALA   3   6.546  -1.363  -2.627
   13    HB2  ALA   3           2HB      ALA   3   5.324  -2.463  -3.266
   14    HB3  ALA   3           3HB      ALA   3   6.376  -1.577  -4.370
   15    H    GLY   4           H        GLY   4   6.574  -5.055  -4.931
   16    HA2  GLY   4           2HA      GLY   4   8.723  -5.127  -6.741
   17    HA3  GLY   4           1HA      GLY   4   7.121  -5.787  -7.037
   18    H    LYS   5           H        LYS   5   5.682  -3.346  -6.808
   19    HA   LYS   5           HA       LYS   5   6.683  -1.282  -8.415
   20    HB2  LYS   5           2HB      LYS   5   6.340  -3.368 -10.027
   21    HB3  LYS   5           1HB      LYS   5   4.673  -2.803 -10.011
   22    HG2  LYS   5           2HG      LYS   5   5.176  -0.854 -11.103
   23    HG3  LYS   5           1HG      LYS   5   6.847  -0.841 -10.538
   24    HD2  LYS   5           2HD      LYS   5   5.656  -2.622 -12.661
   25    HD3  LYS   5           1HD      LYS   5   6.827  -1.323 -12.895
   26    HE2  LYS   5           2HE      LYS   5   7.244  -3.958 -11.493
   27    HE3  LYS   5           1HE      LYS   5   8.021  -3.389 -12.969
   28    HZ1  LYS   5           3HZ      LYS   5   9.661  -2.803 -11.581
   29    HZ2  LYS   5           1HZ      LYS   5   8.672  -2.841 -10.205
   30    HZ3  LYS   5           2HZ      LYS   5   8.688  -1.473 -11.206
   31    H    ALA   6           H        ALA   6   3.801  -3.140  -7.554
   32    HA   ALA   6           HA       ALA   6   2.552  -0.735  -6.532
   33    HB1  ALA   6           1HB      ALA   6   0.559  -0.877  -7.831
   34    HB2  ALA   6           2HB      ALA   6   1.080  -2.386  -8.580
   35    HB3  ALA   6           3HB      ALA   6   1.912  -0.879  -8.962
   36    H    CYS   7           H        CYS   7   0.714  -1.208  -5.183
   37    HA   CYS   7           HA       CYS   7   0.173  -3.993  -4.569
   38    HB2  CYS   7           2HB      CYS   7   2.082  -3.625  -3.148
   39    HB3  CYS   7           1HB      CYS   7   1.419  -2.100  -2.571
   40    H    ASN   8           H        ASN   8  -1.883  -4.270  -3.851
   41    HA   ASN   8           HA       ASN   8  -3.494  -1.848  -3.532
   42    HB2  ASN   8           2HB      ASN   8  -4.113  -4.671  -4.302
   43    HB3  ASN   8           1HB      ASN   8  -5.386  -3.683  -3.596
   44   HD21  ASN   8          1HD2      ASN   8  -6.652  -2.910  -5.110
   45   HD22  ASN   8          2HD2      ASN   8  -6.156  -2.316  -6.653
   46    H    LEU   9           H        LEU   9  -4.475  -1.323  -1.675
   47    HA   LEU   9           HA       LEU   9  -3.642  -2.589   0.745
   48    HB2  LEU   9           2HB      LEU   9  -4.025  -0.141   0.471
   49    HB3  LEU   9           1HB      LEU   9  -5.744  -0.458   0.343
   50    HG   LEU   9           HG       LEU   9  -5.730  -1.364   2.644
   51   HD11  LEU   9          1HD1      LEU   9  -3.038  -0.217   3.132
   52   HD12  LEU   9          2HD1      LEU   9  -3.134  -1.810   2.381
   53   HD13  LEU   9          3HD1      LEU   9  -3.878  -1.531   3.955
   54   HD21  LEU   9          3HD2      LEU   9  -5.644   0.736   3.746
   55   HD22  LEU   9          1HD2      LEU   9  -6.186   1.046   2.096
   56   HD23  LEU   9          2HD2      LEU   9  -4.518   1.389   2.556
   57    H    LEU  10           H        LEU  10  -4.721  -4.622  -0.403
   58    HA   LEU  10           HA       LEU  10  -7.251  -5.077   1.025
   59    HB2  LEU  10           2HB      LEU  10  -6.626  -5.930  -1.811
   60    HB3  LEU  10           1HB      LEU  10  -8.026  -6.456  -0.897
   61    HG   LEU  10           HG       LEU  10  -7.469  -3.585  -1.651
   62   HD11  LEU  10          1HD1      LEU  10  -8.874  -3.800  -3.470
   63   HD12  LEU  10          2HD1      LEU  10  -9.623  -5.272  -2.852
   64   HD13  LEU  10          3HD1      LEU  10  -7.987  -5.324  -3.510
   65   HD21  LEU  10          3HD2      LEU  10  -9.419  -3.010  -0.630
   66   HD22  LEU  10          1HD2      LEU  10  -8.973  -4.374   0.396
   67   HD23  LEU  10          2HD2      LEU  10 -10.154  -4.592  -0.895
   68    H    GLY  11           H        GLY  11  -4.444  -5.638   1.559
   69    HA2  GLY  11           2HA      GLY  11  -4.469  -8.042   2.780
   70    HA3  GLY  11           1HA      GLY  11  -4.043  -8.461   1.124
   71    H    LEU  12           H        LEU  12  -1.931  -8.951   1.221
   72    HA   LEU  12           HA       LEU  12  -0.070  -6.844   1.613
   73    HB2  LEU  12           2HB      LEU  12   1.200  -7.675   3.456
   74    HB3  LEU  12           1HB      LEU  12  -0.455  -7.484   3.972
   75    HG   LEU  12           HG       LEU  12   0.283  -9.424   5.027
   76   HD11  LEU  12          1HD1      LEU  12  -0.782 -11.184   3.075
   77   HD12  LEU  12          2HD1      LEU  12  -1.707  -9.683   3.056
   78   HD13  LEU  12          3HD1      LEU  12  -1.520 -10.584   4.561
   79   HD21  LEU  12          3HD2      LEU  12   1.187 -11.275   3.197
   80   HD22  LEU  12          1HD2      LEU  12   2.169 -10.343   4.326
   81   HD23  LEU  12          2HD2      LEU  12   1.934  -9.764   2.677
   82    H    THR  13           H        THR  13   1.894  -7.254   0.674
   83    HA   THR  13           HA       THR  13   2.723  -9.861  -0.128
   84    HB   THR  13           HB       THR  13   0.952  -9.584  -1.785
   85    HG1  THR  13           1HG      THR  13   3.597  -9.306  -2.798
   86   HG21  THR  13          3HG2      THR  13   2.279  -6.943  -2.274
   87   HG22  THR  13          1HG2      THR  13   0.568  -7.310  -2.051
   88   HG23  THR  13          2HG2      THR  13   1.372  -7.738  -3.561
   89    H    CYS  14           H        CYS  14   3.866  -7.804   1.328
   90    HA   CYS  14           HA       CYS  14   6.220  -7.232  -0.292
   91    HB2  CYS  14           2HB      CYS  14   4.769  -5.122   1.326
   92    HB3  CYS  14           1HB      CYS  14   6.316  -4.905   0.517
   93    H    ASP  15           H        ASP  15   8.054  -6.550   1.072
   94    HA   ASP  15           HA       ASP  15   8.558  -8.303   3.142
   95    HB2  ASP  15           2HB      ASP  15   9.851  -5.630   2.566
   96    HB3  ASP  15           1HB      ASP  15  10.493  -6.819   3.694
   97    H    ALA  16           H        ALA  16   8.545  -8.210   5.334
   98    HA   ALA  16           HA       ALA  16   6.488  -6.855   6.623
   99    HB1  ALA  16           1HB      ALA  16   7.830  -8.950   7.335
  100    HB2  ALA  16           2HB      ALA  16   7.197  -7.872   8.579
  101    HB3  ALA  16           3HB      ALA  16   8.900  -7.791   8.125
  102    H    GLY  17           H        GLY  17   6.299  -4.940   7.604
  103    HA2  GLY  17           2HA      GLY  17   7.168  -3.091   8.862
  104    HA3  GLY  17           1HA      GLY  17   8.721  -3.337   8.073
  105    H    CYS  18           H        CYS  18   7.739  -3.630   5.437
  106    HA   CYS  18           HA       CYS  18   7.270  -0.830   4.816
  107    HB2  CYS  18           2HB      CYS  18   7.591  -3.078   2.832
  108    HB3  CYS  18           1HB      CYS  18   7.943  -1.365   2.612
  109    H    PHE  19           H        PHE  19   5.159  -0.660   5.558
  110    HA   PHE  19           HA       PHE  19   3.029  -2.318   4.908
  111    HB2  PHE  19           2HB      PHE  19   1.577  -0.415   5.555
  112    HB3  PHE  19           1HB      PHE  19   2.845  -0.760   6.721
  113    HD1  PHE  19           1HD      PHE  19   1.749   1.606   4.091
  114    HD2  PHE  19           2HD      PHE  19   4.481   0.849   7.273
  115    HE1  PHE  19           1HE      PHE  19   2.443   3.960   4.051
  116    HE2  PHE  19           2HE      PHE  19   5.179   3.207   7.234
  117    HZ   PHE  19           HZ       PHE  19   4.159   4.766   5.623
  118    H    CYS  20           H        CYS  20   1.403  -2.268   3.459
  119    HA   CYS  20           HA       CYS  20   2.038  -1.349   0.824
  120    HB2  CYS  20           2HB      CYS  20   0.884  -3.491   1.221
  121    HB3  CYS  20           1HB      CYS  20  -0.474  -2.632   1.936
  122    H    ARG  21           H        ARG  21   2.155   0.910   1.183
  123    HA   ARG  21           HA       ARG  21  -0.010   2.414   2.223
  124    HB2  ARG  21           2HB      ARG  21   2.300   3.231   2.266
  125    HB3  ARG  21           1HB      ARG  21   2.316   3.297   0.508
  126    HG2  ARG  21           2HG      ARG  21   0.121   4.791   1.101
  127    HG3  ARG  21           1HG      ARG  21   1.193   5.155   2.452
  128    HD2  ARG  21           2HD      ARG  21   2.695   6.239   1.139
  129    HD3  ARG  21           1HD      ARG  21   2.425   5.164  -0.234
  130    HE   ARG  21           HE       ARG  21   0.825   6.599  -1.021
  131   HH11  ARG  21          1HH1      ARG  21   1.620   7.512   2.263
  132   HH12  ARG  21          2HH1      ARG  21   0.615   8.921   2.251
  133   HH21  ARG  21          1HH2      ARG  21  -0.518   8.435  -1.051
  134   HH22  ARG  21          2HH2      ARG  21  -0.601   9.453   0.355
  135    HA   PRO  22           HA       PRO  22  -2.493   2.539  -1.481
  136    HB2  PRO  22           2HB      PRO  22  -4.353   4.281  -0.572
  137    HB3  PRO  22           1HB      PRO  22  -4.319   2.585  -0.086
  138    HG2  PRO  22           2HG      PRO  22  -3.413   5.003   1.397
  139    HG3  PRO  22           1HG      PRO  22  -4.185   3.531   2.011
  140    HD2  PRO  22           2HD      PRO  22  -1.483   4.073   2.163
  141    HD3  PRO  22           1HD      PRO  22  -2.188   2.451   2.237
  142    H    ASP  23           H        ASP  23  -3.120   4.133  -3.078
  143    HA   ASP  23           HA       ASP  23  -1.127   5.993  -3.666
  144    HB2  ASP  23           2HB      ASP  23  -2.758   5.020  -5.296
  145    HB3  ASP  23           1HB      ASP  23  -3.994   6.081  -4.632
  146    H    GLY  24           H        GLY  24  -4.452   6.681  -2.563
  147    HA2  GLY  24           2HA      GLY  24  -3.492   8.796  -0.865
  148    HA3  GLY  24           1HA      GLY  24  -4.379   9.370  -2.269
  149    H    VAL  25           H        VAL  25  -6.161  10.146  -1.290
  150    HA   VAL  25           HA       VAL  25  -7.551   8.638   0.724
  151    HB   VAL  25           HB       VAL  25  -9.221  10.505   0.626
  152   HG11  VAL  25          1HG1      VAL  25  -7.773  12.127   1.707
  153   HG12  VAL  25          2HG1      VAL  25  -6.351  11.346   1.016
  154   HG13  VAL  25          3HG1      VAL  25  -7.337  10.491   2.202
  155   HG21  VAL  25          3HG2      VAL  25  -7.885  11.076  -1.811
  156   HG22  VAL  25          1HG2      VAL  25  -7.613  12.431  -0.716
  157   HG23  VAL  25          2HG2      VAL  25  -9.257  11.916  -1.091
  158    H    GLY  26           H        GLY  26  -9.227   7.359   0.484
  159    HA2  GLY  26           2HA      GLY  26 -10.962   6.189  -0.449
  160    HA3  GLY  26           1HA      GLY  26 -11.163   7.530  -1.565
  161    H    ILE  27           H        ILE  27  -8.160   5.745  -1.336
  162    HA   ILE  27           HA       ILE  27  -8.821   4.396  -3.867
  163    HB   ILE  27           HB       ILE  27  -6.077   5.470  -3.254
  164   HG12  ILE  27          2HG1      ILE  27  -8.197   6.723  -5.018
  165   HG13  ILE  27          1HG1      ILE  27  -7.677   7.353  -3.460
  166   HG21  ILE  27          1HG2      ILE  27  -5.778   5.145  -5.705
  167   HG22  ILE  27          2HG2      ILE  27  -7.368   4.385  -5.747
  168   HG23  ILE  27          3HG2      ILE  27  -6.066   3.653  -4.810
  169   HD11  ILE  27          3HD1      ILE  27  -6.731   8.377  -5.630
  170   HD12  ILE  27          1HD1      ILE  27  -5.696   6.950  -5.656
  171   HD13  ILE  27          2HD1      ILE  27  -5.639   8.055  -4.283
  172    H    VAL  28           H        VAL  28  -8.347   2.312  -3.917
  173    HA   VAL  28           HA       VAL  28  -7.217   1.092  -1.536
  174    HB   VAL  28           HB       VAL  28  -7.909  -1.065  -2.564
  175   HG11  VAL  28          1HG1      VAL  28 -10.468   0.088  -2.767
  176   HG12  VAL  28          2HG1      VAL  28  -9.569   1.054  -1.595
  177   HG13  VAL  28          3HG1      VAL  28  -9.736  -0.687  -1.362
  178   HG21  VAL  28          3HG2      VAL  28  -8.563  -1.262  -4.691
  179   HG22  VAL  28          1HG2      VAL  28  -7.944   0.374  -4.928
  180   HG23  VAL  28          2HG2      VAL  28  -9.651   0.121  -4.563
  181    H    ALA  29           H        ALA  29  -6.433   1.575  -4.901
  182    HA   ALA  29           HA       ALA  29  -4.218  -0.251  -4.906
  183    HB1  ALA  29           1HB      ALA  29  -5.165   1.846  -6.846
  184    HB2  ALA  29           2HB      ALA  29  -5.261   0.092  -7.000
  185    HB3  ALA  29           3HB      ALA  29  -3.698   0.901  -7.102
  186    H    GLY  30           H        GLY  30  -2.035   0.247  -4.793
  187    HA2  GLY  30           2HA      GLY  30  -1.068   2.925  -4.607
  188    HA3  GLY  30           1HA      GLY  30  -1.201   2.183  -3.018
  189    H    VAL  31           H        VAL  31   1.006   2.160  -2.650
  190    HA   VAL  31           HA       VAL  31   2.388  -0.062  -3.875
  191    HB   VAL  31           HB       VAL  31   2.959   1.733  -5.429
  192   HG11  VAL  31          1HG1      VAL  31   4.550   3.548  -4.379
  193   HG12  VAL  31          2HG1      VAL  31   3.600   3.214  -2.932
  194   HG13  VAL  31          3HG1      VAL  31   2.800   3.766  -4.403
  195   HG21  VAL  31          3HG2      VAL  31   5.547   1.779  -4.793
  196   HG22  VAL  31          1HG2      VAL  31   4.749   0.342  -5.432
  197   HG23  VAL  31          2HG2      VAL  31   5.019   0.504  -3.696
  198    H    CYS  32           H        CYS  32   3.738  -1.039  -2.447
  199    HA   CYS  32           HA       CYS  32   3.701  -0.271   0.273
  200    HB2  CYS  32           2HB      CYS  32   5.578  -2.179  -1.139
  201    HB3  CYS  32           1HB      CYS  32   5.368  -2.061   0.602
  202    H    VAL  33           H        VAL  33   5.200   0.766   1.531
  203    HA   VAL  33           HA       VAL  33   6.856   2.678   0.300
  204    HB   VAL  33           HB       VAL  33   7.769   3.088   2.589
  205   HG11  VAL  33          1HG1      VAL  33   5.143   3.282   3.447
  206   HG12  VAL  33          2HG1      VAL  33   5.025   3.315   1.688
  207   HG13  VAL  33          3HG1      VAL  33   6.040   4.490   2.527
  208   HG21  VAL  33          3HG2      VAL  33   7.346   1.767   4.378
  209   HG22  VAL  33          1HG2      VAL  33   7.182   0.524   3.137
  210   HG23  VAL  33          2HG2      VAL  33   5.745   1.306   3.798
  Start of MODEL    9
    1    H1   GLY   1           1HT      GLY   1   9.618   2.316   0.540
    2    H2   GLY   1           2HT      GLY   1  10.760   3.242  -0.304
    3    H3   GLY   1           3HT      GLY   1  11.152   1.680   0.207
    4    HA2  GLY   1           1HA      GLY   1   8.816   1.820  -1.473
    5    HA3  GLY   1           2HA      GLY   1  10.312   2.299  -2.266
    6    H    CYS   2           H        CYS   2   9.102  -0.226  -0.061
    7    HA   CYS   2           HA       CYS   2  11.021  -2.124  -1.171
    8    HB2  CYS   2           2HB      CYS   2   8.933  -2.801   0.869
    9    HB3  CYS   2           1HB      CYS   2  10.552  -3.457   0.672
   10    H    ALA   3           H        ALA   3   8.665  -1.054  -2.653
   11    HA   ALA   3           HA       ALA   3   7.162  -3.527  -3.142
   12    HB1  ALA   3           1HB      ALA   3   6.579  -0.642  -3.640
   13    HB2  ALA   3           2HB      ALA   3   5.597  -1.864  -2.831
   14    HB3  ALA   3           3HB      ALA   3   5.761  -1.884  -4.587
   15    H    GLY   4           H        GLY   4   7.209  -4.558  -5.073
   16    HA2  GLY   4           2HA      GLY   4   9.406  -4.131  -6.807
   17    HA3  GLY   4           1HA      GLY   4   8.065  -5.230  -7.096
   18    H    LYS   5           H        LYS   5   5.972  -3.346  -7.052
   19    HA   LYS   5           HA       LYS   5   6.576  -1.349  -9.069
   20    HB2  LYS   5           2HB      LYS   5   4.582  -3.568  -9.585
   21    HB3  LYS   5           1HB      LYS   5   4.741  -2.121 -10.566
   22    HG2  LYS   5           2HG      LYS   5   7.131  -2.820 -10.987
   23    HG3  LYS   5           1HG      LYS   5   6.711  -4.364 -10.244
   24    HD2  LYS   5           2HD      LYS   5   6.501  -4.585 -12.623
   25    HD3  LYS   5           1HD      LYS   5   4.882  -4.599 -11.921
   26    HE2  LYS   5           2HE      LYS   5   4.977  -3.212 -13.936
   27    HE3  LYS   5           1HE      LYS   5   4.589  -2.255 -12.507
   28    HZ1  LYS   5           3HZ      LYS   5   7.149  -1.887 -12.465
   29    HZ2  LYS   5           1HZ      LYS   5   6.181  -0.969 -13.507
   30    HZ3  LYS   5           2HZ      LYS   5   7.054  -2.287 -14.106
   31    H    ALA   6           H        ALA   6   3.897  -3.018  -7.418
   32    HA   ALA   6           HA       ALA   6   3.016  -0.653  -6.094
   33    HB1  ALA   6           1HB      ALA   6   0.994  -0.205  -7.214
   34    HB2  ALA   6           2HB      ALA   6   1.085  -1.696  -8.152
   35    HB3  ALA   6           3HB      ALA   6   2.190  -0.367  -8.502
   36    H    CYS   7           H        CYS   7   1.112  -1.114  -4.716
   37    HA   CYS   7           HA       CYS   7   0.286  -3.881  -4.558
   38    HB2  CYS   7           2HB      CYS   7   2.343  -3.918  -3.242
   39    HB3  CYS   7           1HB      CYS   7   1.744  -2.590  -2.252
   40    H    ASN   8           H        ASN   8  -1.768  -4.015  -3.979
   41    HA   ASN   8           HA       ASN   8  -3.205  -1.643  -3.167
   42    HB2  ASN   8           2HB      ASN   8  -4.048  -4.472  -3.805
   43    HB3  ASN   8           1HB      ASN   8  -5.183  -3.278  -3.185
   44   HD21  ASN   8          1HD2      ASN   8  -6.415  -2.608  -4.777
   45   HD22  ASN   8          2HD2      ASN   8  -5.889  -2.195  -6.369
   46    H    LEU   9           H        LEU   9  -4.359  -1.404  -1.205
   47    HA   LEU   9           HA       LEU   9  -3.094  -2.633   1.053
   48    HB2  LEU   9           2HB      LEU   9  -4.868  -1.310   2.339
   49    HB3  LEU   9           1HB      LEU   9  -3.661  -0.420   1.439
   50    HG   LEU   9           HG       LEU   9  -5.382  -0.170  -0.407
   51   HD11  LEU   9          1HD1      LEU   9  -7.575  -0.529   1.504
   52   HD12  LEU   9          2HD1      LEU   9  -6.820  -2.025   0.956
   53   HD13  LEU   9          3HD1      LEU   9  -7.494  -0.896  -0.219
   54   HD21  LEU   9          3HD2      LEU   9  -6.653   1.590   0.886
   55   HD22  LEU   9          1HD2      LEU   9  -4.894   1.711   0.920
   56   HD23  LEU   9          2HD2      LEU   9  -5.760   1.053   2.309
   57    H    LEU  10           H        LEU  10  -4.500  -4.482  -0.666
   58    HA   LEU  10           HA       LEU  10  -6.604  -5.454   1.148
   59    HB2  LEU  10           2HB      LEU  10  -6.110  -5.989  -1.783
   60    HB3  LEU  10           1HB      LEU  10  -7.229  -6.932  -0.823
   61    HG   LEU  10           HG       LEU  10  -8.543  -5.382  -2.007
   62   HD11  LEU  10          1HD1      LEU  10  -9.785  -4.901  -0.245
   63   HD12  LEU  10          2HD1      LEU  10  -8.656  -3.645   0.263
   64   HD13  LEU  10          3HD1      LEU  10  -8.417  -5.311   0.791
   65   HD21  LEU  10          3HD2      LEU  10  -7.486  -3.628  -2.883
   66   HD22  LEU  10          1HD2      LEU  10  -6.278  -3.599  -1.598
   67   HD23  LEU  10          2HD2      LEU  10  -7.839  -2.815  -1.358
   68    H    GLY  11           H        GLY  11  -3.685  -5.724   1.451
   69    HA2  GLY  11           2HA      GLY  11  -3.419  -8.171   2.560
   70    HA3  GLY  11           1HA      GLY  11  -3.077  -8.481   0.864
   71    H    LEU  12           H        LEU  12  -0.952  -8.839   0.840
   72    HA   LEU  12           HA       LEU  12   0.849  -6.652   1.182
   73    HB2  LEU  12           2HB      LEU  12   0.429  -7.649   3.541
   74    HB3  LEU  12           1HB      LEU  12   1.350  -9.025   2.976
   75    HG   LEU  12           HG       LEU  12   2.615  -7.348   4.364
   76   HD11  LEU  12          1HD1      LEU  12   4.441  -8.177   3.431
   77   HD12  LEU  12          2HD1      LEU  12   4.191  -7.228   1.966
   78   HD13  LEU  12          3HD1      LEU  12   3.427  -8.808   2.133
   79   HD21  LEU  12          3HD2      LEU  12   2.110  -5.655   1.937
   80   HD22  LEU  12          1HD2      LEU  12   3.456  -5.358   3.037
   81   HD23  LEU  12          2HD2      LEU  12   1.798  -5.274   3.630
   82    H    THR  13           H        THR  13   2.448  -6.942  -0.285
   83    HA   THR  13           HA       THR  13   3.323  -9.618  -0.978
   84    HB   THR  13           HB       THR  13   1.451  -9.363  -2.494
   85    HG1  THR  13           1HG      THR  13   3.970  -9.018  -3.779
   86   HG21  THR  13          3HG2      THR  13   1.968  -7.450  -4.331
   87   HG22  THR  13          1HG2      THR  13   2.560  -6.659  -2.870
   88   HG23  THR  13          2HG2      THR  13   0.893  -7.224  -2.951
   89    H    CYS  14           H        CYS  14   4.791  -7.896   0.367
   90    HA   CYS  14           HA       CYS  14   7.000  -7.406  -1.395
   91    HB2  CYS  14           2HB      CYS  14   7.171  -4.984  -0.401
   92    HB3  CYS  14           1HB      CYS  14   6.179  -5.287  -1.816
   93    H    ASP  15           H        ASP  15   8.445  -5.730   0.329
   94    HA   ASP  15           HA       ASP  15   9.461  -7.619   2.158
   95    HB2  ASP  15           2HB      ASP  15   9.931  -4.639   1.969
   96    HB3  ASP  15           1HB      ASP  15  10.844  -5.724   3.012
   97    H    ALA  16           H        ALA  16   9.265  -7.851   4.317
   98    HA   ALA  16           HA       ALA  16   6.843  -7.136   5.549
   99    HB1  ALA  16           1HB      ALA  16   8.037  -9.120   6.222
  100    HB2  ALA  16           2HB      ALA  16   7.870  -8.045   7.611
  101    HB3  ALA  16           3HB      ALA  16   9.411  -8.155   6.760
  102    H    GLY  17           H        GLY  17   6.250  -5.437   6.758
  103    HA2  GLY  17           2HA      GLY  17   6.684  -3.694   8.343
  104    HA3  GLY  17           1HA      GLY  17   8.331  -3.602   7.733
  105    H    CYS  18           H        CYS  18   7.602  -3.639   4.956
  106    HA   CYS  18           HA       CYS  18   6.872  -0.841   4.687
  107    HB2  CYS  18           2HB      CYS  18   7.586  -2.766   2.474
  108    HB3  CYS  18           1HB      CYS  18   7.674  -1.007   2.448
  109    H    PHE  19           H        PHE  19   4.706  -1.174   5.385
  110    HA   PHE  19           HA       PHE  19   2.825  -2.837   4.199
  111    HB2  PHE  19           2HB      PHE  19   1.129  -1.280   5.144
  112    HB3  PHE  19           1HB      PHE  19   2.354  -1.781   6.300
  113    HD1  PHE  19           1HD      PHE  19   1.203   1.030   4.181
  114    HD2  PHE  19           2HD      PHE  19   3.757  -0.209   7.358
  115    HE1  PHE  19           1HE      PHE  19   1.657   3.382   4.730
  116    HE2  PHE  19           2HE      PHE  19   4.213   2.143   7.910
  117    HZ   PHE  19           HZ       PHE  19   3.162   3.943   6.597
  118    H    CYS  20           H        CYS  20   1.278  -2.596   2.671
  119    HA   CYS  20           HA       CYS  20   1.987  -1.097   0.359
  120    HB2  CYS  20           2HB      CYS  20  -0.546  -2.637   0.970
  121    HB3  CYS  20           1HB      CYS  20  -0.011  -2.116  -0.626
  122    H    ARG  21           H        ARG  21   1.935   1.062   1.041
  123    HA   ARG  21           HA       ARG  21  -0.340   2.289   2.215
  124    HB2  ARG  21           2HB      ARG  21   2.062   3.122   2.261
  125    HB3  ARG  21           1HB      ARG  21   1.813   3.659   0.605
  126    HG2  ARG  21           2HG      ARG  21  -0.309   4.804   1.769
  127    HG3  ARG  21           1HG      ARG  21   0.804   4.778   3.136
  128    HD2  ARG  21           2HD      ARG  21   1.284   6.814   2.131
  129    HD3  ARG  21           1HD      ARG  21   2.509   5.750   1.435
  130    HE   ARG  21           HE       ARG  21   0.141   5.836  -0.165
  131   HH11  ARG  21          1HH1      ARG  21   3.107   7.556   0.545
  132   HH12  ARG  21          2HH1      ARG  21   3.102   8.439  -0.944
  133   HH21  ARG  21          1HH2      ARG  21   0.111   7.008  -2.114
  134   HH22  ARG  21          2HH2      ARG  21   1.389   8.125  -2.465
  135    HA   PRO  22           HA       PRO  22  -2.861   2.693  -1.429
  136    HB2  PRO  22           2HB      PRO  22  -4.444   4.745  -0.558
  137    HB3  PRO  22           1HB      PRO  22  -4.682   3.056  -0.097
  138    HG2  PRO  22           2HG      PRO  22  -3.367   5.269   1.420
  139    HG3  PRO  22           1HG      PRO  22  -4.430   3.979   2.013
  140    HD2  PRO  22           2HD      PRO  22  -1.742   3.907   2.313
  141    HD3  PRO  22           1HD      PRO  22  -2.714   2.440   2.108
  142    H    ASP  23           H        ASP  23  -3.237   4.181  -3.131
  143    HA   ASP  23           HA       ASP  23  -1.089   5.869  -3.740
  144    HB2  ASP  23           2HB      ASP  23  -2.538   4.908  -5.459
  145    HB3  ASP  23           1HB      ASP  23  -3.890   5.877  -4.877
  146    H    GLY  24           H        GLY  24  -4.398   6.722  -2.755
  147    HA2  GLY  24           2HA      GLY  24  -3.377   9.055  -1.378
  148    HA3  GLY  24           1HA      GLY  24  -4.440   9.387  -2.739
  149    H    VAL  25           H        VAL  25  -6.160  10.198  -1.646
  150    HA   VAL  25           HA       VAL  25  -7.246   8.783   0.626
  151    HB   VAL  25           HB       VAL  25  -8.975  10.600   0.625
  152   HG11  VAL  25          1HG1      VAL  25  -6.579  10.592   1.722
  153   HG12  VAL  25          2HG1      VAL  25  -7.615  12.017   1.797
  154   HG13  VAL  25          3HG1      VAL  25  -6.316  11.933   0.607
  155   HG21  VAL  25          3HG2      VAL  25  -7.487  12.433  -1.030
  156   HG22  VAL  25          1HG2      VAL  25  -9.203  12.027  -1.068
  157   HG23  VAL  25          2HG2      VAL  25  -8.046  11.051  -1.972
  158    H    GLY  26           H        GLY  26  -8.895   7.441   0.629
  159    HA2  GLY  26           2HA      GLY  26 -10.672   6.170  -0.062
  160    HA3  GLY  26           1HA      GLY  26 -11.057   7.466  -1.182
  161    H    ILE  27           H        ILE  27  -8.046   5.634  -1.165
  162    HA   ILE  27           HA       ILE  27  -8.905   4.331  -3.661
  163    HB   ILE  27           HB       ILE  27  -6.100   5.323  -3.174
  164   HG12  ILE  27          2HG1      ILE  27  -8.270   6.581  -4.871
  165   HG13  ILE  27          1HG1      ILE  27  -7.662   7.232  -3.353
  166   HG21  ILE  27          1HG2      ILE  27  -5.553   4.517  -5.228
  167   HG22  ILE  27          2HG2      ILE  27  -7.176   4.753  -5.873
  168   HG23  ILE  27          3HG2      ILE  27  -6.836   3.376  -4.824
  169   HD11  ILE  27          3HD1      ILE  27  -5.854   6.765  -5.694
  170   HD12  ILE  27          1HD1      ILE  27  -5.608   7.808  -4.293
  171   HD13  ILE  27          2HD1      ILE  27  -6.797   8.246  -5.521
  172    H    VAL  28           H        VAL  28  -8.427   2.230  -3.830
  173    HA   VAL  28           HA       VAL  28  -7.350   0.902  -1.484
  174    HB   VAL  28           HB       VAL  28  -8.071  -1.197  -2.600
  175   HG11  VAL  28          1HG1      VAL  28 -10.608  -0.154  -2.810
  176   HG12  VAL  28          2HG1      VAL  28  -9.784   1.002  -1.763
  177   HG13  VAL  28          3HG1      VAL  28  -9.835  -0.705  -1.323
  178   HG21  VAL  28          3HG2      VAL  28  -8.622  -1.303  -4.758
  179   HG22  VAL  28          1HG2      VAL  28  -8.022   0.349  -4.911
  180   HG23  VAL  28          2HG2      VAL  28  -9.735   0.057  -4.608
  181    H    ALA  29           H        ALA  29  -6.488   1.539  -4.790
  182    HA   ALA  29           HA       ALA  29  -4.294  -0.319  -4.848
  183    HB1  ALA  29           1HB      ALA  29  -5.424   1.711  -6.709
  184    HB2  ALA  29           2HB      ALA  29  -5.045   0.011  -6.987
  185    HB3  ALA  29           3HB      ALA  29  -3.750   1.207  -6.940
  186    H    GLY  30           H        GLY  30  -2.078   0.228  -4.767
  187    HA2  GLY  30           2HA      GLY  30  -1.185   2.896  -4.374
  188    HA3  GLY  30           1HA      GLY  30  -1.315   2.053  -2.837
  189    H    VAL  31           H        VAL  31   0.889   2.120  -2.466
  190    HA   VAL  31           HA       VAL  31   2.376   0.018  -3.793
  191    HB   VAL  31           HB       VAL  31   2.860   1.958  -5.213
  192   HG11  VAL  31          1HG1      VAL  31   2.599   3.508  -3.052
  193   HG12  VAL  31          2HG1      VAL  31   3.469   4.012  -4.501
  194   HG13  VAL  31          3HG1      VAL  31   4.358   3.392  -3.110
  195   HG21  VAL  31          3HG2      VAL  31   4.637   0.420  -5.089
  196   HG22  VAL  31          1HG2      VAL  31   5.116   0.982  -3.488
  197   HG23  VAL  31          2HG2      VAL  31   5.370   2.013  -4.895
  198    H    CYS  32           H        CYS  32   3.897  -0.907  -2.443
  199    HA   CYS  32           HA       CYS  32   3.694  -0.500   0.326
  200    HB2  CYS  32           2HB      CYS  32   6.109  -1.688  -1.050
  201    HB3  CYS  32           1HB      CYS  32   5.518  -2.034   0.570
  202    H    VAL  33           H        VAL  33   4.846   0.722   1.763
  203    HA   VAL  33           HA       VAL  33   6.156   3.033   0.807
  204    HB   VAL  33           HB       VAL  33   6.750   3.456   3.189
  205   HG11  VAL  33          1HG1      VAL  33   4.346   3.544   3.980
  206   HG12  VAL  33          2HG1      VAL  33   3.921   2.760   2.459
  207   HG13  VAL  33          3HG1      VAL  33   4.698   4.344   2.447
  208   HG21  VAL  33          3HG2      VAL  33   5.074   1.208   4.110
  209   HG22  VAL  33          1HG2      VAL  33   6.493   1.948   4.853
  210   HG23  VAL  33          2HG2      VAL  33   6.689   0.790   3.537
  Start of MODEL   10
    1    H1   GLY   1           1HT      GLY   1  10.653  -0.739   2.188
    2    H2   GLY   1           2HT      GLY   1  10.333   0.850   1.685
    3    H3   GLY   1           3HT      GLY   1  11.725   0.508   2.590
    4    HA2  GLY   1           1HA      GLY   1  11.574   0.659  -0.123
    5    HA3  GLY   1           2HA      GLY   1  12.899  -0.035   0.803
    6    H    CYS   2           H        CYS   2   9.563  -1.145   0.295
    7    HA   CYS   2           HA       CYS   2  10.676  -3.624  -0.867
    8    HB2  CYS   2           2HB      CYS   2   8.122  -3.402   0.730
    9    HB3  CYS   2           1HB      CYS   2   8.960  -4.867   0.237
   10    H    ALA   3           H        ALA   3   9.915  -1.252  -2.254
   11    HA   ALA   3           HA       ALA   3   7.321  -1.640  -3.418
   12    HB1  ALA   3           1HB      ALA   3   7.843   0.585  -3.415
   13    HB2  ALA   3           2HB      ALA   3   8.312   0.140  -5.056
   14    HB3  ALA   3           3HB      ALA   3   9.541   0.301  -3.800
   15    H    GLY   4           H        GLY   4   7.433  -3.724  -4.273
   16    HA2  GLY   4           2HA      GLY   4   9.418  -4.556  -6.132
   17    HA3  GLY   4           1HA      GLY   4   7.863  -5.334  -5.866
   18    H    LYS   5           H        LYS   5   6.070  -3.471  -6.554
   19    HA   LYS   5           HA       LYS   5   6.672  -2.193  -9.055
   20    HB2  LYS   5           2HB      LYS   5   4.947  -4.674  -8.997
   21    HB3  LYS   5           1HB      LYS   5   4.802  -3.464 -10.261
   22    HG2  LYS   5           2HG      LYS   5   7.188  -3.830 -10.817
   23    HG3  LYS   5           1HG      LYS   5   7.226  -5.129  -9.625
   24    HD2  LYS   5           2HD      LYS   5   5.458  -6.298 -10.873
   25    HD3  LYS   5           1HD      LYS   5   5.477  -5.010 -12.081
   26    HE2  LYS   5           2HE      LYS   5   7.739  -6.881 -11.387
   27    HE3  LYS   5           1HE      LYS   5   6.791  -6.873 -12.874
   28    HZ1  LYS   5           3HZ      LYS   5   7.664  -4.651 -13.347
   29    HZ2  LYS   5           1HZ      LYS   5   8.906  -5.793 -13.217
   30    HZ3  LYS   5           2HZ      LYS   5   8.611  -4.715 -11.946
   31    H    ALA   6           H        ALA   6   4.000  -3.535  -7.136
   32    HA   ALA   6           HA       ALA   6   2.942  -0.965  -6.499
   33    HB1  ALA   6           1HB      ALA   6   2.005  -2.232  -8.913
   34    HB2  ALA   6           2HB      ALA   6   1.587  -0.654  -8.245
   35    HB3  ALA   6           3HB      ALA   6   0.696  -2.090  -7.742
   36    H    CYS   7           H        CYS   7   0.721  -1.297  -5.375
   37    HA   CYS   7           HA       CYS   7   0.331  -3.958  -4.294
   38    HB2  CYS   7           2HB      CYS   7   2.104  -2.943  -2.849
   39    HB3  CYS   7           1HB      CYS   7   0.977  -1.654  -2.439
   40    H    ASN   8           H        ASN   8  -1.753  -4.251  -3.480
   41    HA   ASN   8           HA       ASN   8  -3.501  -1.889  -3.608
   42    HB2  ASN   8           2HB      ASN   8  -3.915  -4.637  -4.747
   43    HB3  ASN   8           1HB      ASN   8  -5.299  -3.655  -4.283
   44   HD21  ASN   8          1HD2      ASN   8  -6.167  -2.683  -5.950
   45   HD22  ASN   8          2HD2      ASN   8  -5.326  -2.032  -7.310
   46    H    LEU   9           H        LEU   9  -4.634  -1.509  -1.847
   47    HA   LEU   9           HA       LEU   9  -4.413  -3.216   0.446
   48    HB2  LEU   9           2HB      LEU   9  -4.466  -0.697   0.482
   49    HB3  LEU   9           1HB      LEU   9  -6.170  -0.787   0.084
   50    HG   LEU   9           HG       LEU   9  -6.577  -2.016   2.196
   51   HD11  LEU   9          1HD1      LEU   9  -3.659  -1.996   2.252
   52   HD12  LEU   9          2HD1      LEU   9  -4.805  -3.052   3.079
   53   HD13  LEU   9          3HD1      LEU   9  -4.399  -1.481   3.768
   54   HD21  LEU   9          3HD2      LEU   9  -7.091   0.160   2.570
   55   HD22  LEU   9          1HD2      LEU   9  -5.506   0.739   2.057
   56   HD23  LEU   9          2HD2      LEU   9  -5.712   0.042   3.663
   57    H    LEU  10           H        LEU  10  -5.441  -4.913  -1.104
   58    HA   LEU  10           HA       LEU  10  -8.290  -5.116  -0.402
   59    HB2  LEU  10           2HB      LEU  10  -7.009  -5.732  -3.067
   60    HB3  LEU  10           1HB      LEU  10  -8.625  -6.253  -2.625
   61    HG   LEU  10           HG       LEU  10  -7.741  -3.370  -2.801
   62   HD11  LEU  10          1HD1      LEU  10  -7.794  -4.670  -4.972
   63   HD12  LEU  10          2HD1      LEU  10  -8.823  -3.239  -4.892
   64   HD13  LEU  10          3HD1      LEU  10  -9.530  -4.846  -4.714
   65   HD21  LEU  10          3HD2      LEU  10 -10.239  -3.007  -2.805
   66   HD22  LEU  10          1HD2      LEU  10  -9.543  -3.535  -1.272
   67   HD23  LEU  10          2HD2      LEU  10 -10.399  -4.688  -2.297
   68    H    GLY  11           H        GLY  11  -5.379  -6.787  -1.505
   69    HA2  GLY  11           2HA      GLY  11  -5.554  -8.819   0.450
   70    HA3  GLY  11           1HA      GLY  11  -6.178  -9.418  -1.082
   71    H    LEU  12           H        LEU  12  -3.493  -7.267  -0.219
   72    HA   LEU  12           HA       LEU  12  -1.551  -9.183  -1.188
   73    HB2  LEU  12           2HB      LEU  12  -2.478  -7.810  -3.161
   74    HB3  LEU  12           1HB      LEU  12  -1.656  -6.442  -2.445
   75    HG   LEU  12           HG       LEU  12  -0.481  -7.647  -4.359
   76   HD11  LEU  12          1HD1      LEU  12   1.750  -7.480  -3.266
   77   HD12  LEU  12          2HD1      LEU  12   0.923  -7.216  -1.731
   78   HD13  LEU  12          3HD1      LEU  12   0.725  -6.060  -3.049
   79   HD21  LEU  12          3HD2      LEU  12   0.939  -9.553  -2.921
   80   HD22  LEU  12          1HD2      LEU  12  -0.264  -9.847  -4.178
   81   HD23  LEU  12          2HD2      LEU  12  -0.747  -9.822  -2.481
   82    H    THR  13           H        THR  13   0.398  -8.896  -0.206
   83    HA   THR  13           HA       THR  13   0.949  -6.399   1.181
   84    HB   THR  13           HB       THR  13  -0.187  -7.701   2.894
   85    HG1  THR  13           1HG      THR  13   2.603  -7.851   3.439
   86   HG21  THR  13          3HG2      THR  13   1.916  -9.813   2.875
   87   HG22  THR  13          1HG2      THR  13   0.587  -9.930   1.721
   88   HG23  THR  13          2HG2      THR  13   0.250  -9.883   3.451
   89    H    CYS  14           H        CYS  14   3.107  -5.974   1.398
   90    HA   CYS  14           HA       CYS  14   4.873  -7.690  -0.152
   91    HB2  CYS  14           2HB      CYS  14   6.406  -5.566   0.402
   92    HB3  CYS  14           1HB      CYS  14   5.237  -5.571  -0.915
   93    H    ASP  15           H        ASP  15   7.280  -6.691   1.078
   94    HA   ASP  15           HA       ASP  15   7.725  -8.701   2.988
   95    HB2  ASP  15           2HB      ASP  15   9.356  -6.229   2.378
   96    HB3  ASP  15           1HB      ASP  15   9.921  -7.619   3.300
   97    H    ALA  16           H        ALA  16   8.028  -8.630   5.183
   98    HA   ALA  16           HA       ALA  16   6.320  -7.035   6.696
   99    HB1  ALA  16           1HB      ALA  16   6.979  -8.286   8.464
  100    HB2  ALA  16           2HB      ALA  16   8.693  -8.132   8.074
  101    HB3  ALA  16           3HB      ALA  16   7.689  -9.285   7.195
  102    H    GLY  17           H        GLY  17   6.461  -5.049   7.472
  103    HA2  GLY  17           2HA      GLY  17   7.816  -3.394   8.691
  104    HA3  GLY  17           1HA      GLY  17   9.114  -3.753   7.557
  105    H    CYS  18           H        CYS  18   7.658  -3.839   5.197
  106    HA   CYS  18           HA       CYS  18   7.175  -1.004   4.784
  107    HB2  CYS  18           2HB      CYS  18   7.307  -3.298   2.810
  108    HB3  CYS  18           1HB      CYS  18   7.181  -1.594   2.390
  109    H    PHE  19           H        PHE  19   5.182  -0.303   5.099
  110    HA   PHE  19           HA       PHE  19   2.936  -2.092   5.005
  111    HB2  PHE  19           2HB      PHE  19   1.598  -0.119   5.667
  112    HB3  PHE  19           1HB      PHE  19   2.965  -0.401   6.733
  113    HD1  PHE  19           2HD      PHE  19   1.649   1.774   4.052
  114    HD2  PHE  19           1HD      PHE  19   4.667   1.217   7.004
  115    HE1  PHE  19           2HE      PHE  19   2.350   4.113   3.770
  116    HE2  PHE  19           1HE      PHE  19   5.367   3.558   6.732
  117    HZ   PHE  19           HZ       PHE  19   4.210   5.009   5.113
  118    H    CYS  20           H        CYS  20   1.246  -2.101   3.590
  119    HA   CYS  20           HA       CYS  20   1.820  -1.324   0.901
  120    HB2  CYS  20           2HB      CYS  20   0.542  -3.377   1.486
  121    HB3  CYS  20           1HB      CYS  20  -0.760  -2.368   2.101
  122    H    ARG  21           H        ARG  21   2.037   0.921   0.993
  123    HA   ARG  21           HA       ARG  21   0.017   2.611   2.075
  124    HB2  ARG  21           2HB      ARG  21   2.396   3.263   1.914
  125    HB3  ARG  21           1HB      ARG  21   2.253   3.292   0.162
  126    HG2  ARG  21           2HG      ARG  21   0.349   4.995   0.601
  127    HG3  ARG  21           1HG      ARG  21   1.103   5.159   2.187
  128    HD2  ARG  21           2HD      ARG  21   2.091   6.841   0.873
  129    HD3  ARG  21           1HD      ARG  21   3.286   5.546   0.925
  130    HE   ARG  21           HE       ARG  21   2.988   5.195  -1.333
  131   HH11  ARG  21          1HH1      ARG  21   0.612   7.488  -0.178
  132   HH12  ARG  21          2HH1      ARG  21  -0.053   7.805  -1.750
  133   HH21  ARG  21          1HH2      ARG  21   2.131   5.649  -3.434
  134   HH22  ARG  21          2HH2      ARG  21   0.823   6.778  -3.599
  135    HA   PRO  22           HA       PRO  22  -2.622   2.551  -1.534
  136    HB2  PRO  22           2HB      PRO  22  -4.405   4.371  -0.590
  137    HB3  PRO  22           1HB      PRO  22  -4.428   2.670  -0.116
  138    HG2  PRO  22           2HG      PRO  22  -3.405   5.042   1.370
  139    HG3  PRO  22           1HG      PRO  22  -4.207   3.588   1.990
  140    HD2  PRO  22           2HD      PRO  22  -1.489   4.033   2.101
  141    HD3  PRO  22           1HD      PRO  22  -2.242   2.428   2.131
  142    H    ASP  23           H        ASP  23  -3.146   4.128  -3.170
  143    HA   ASP  23           HA       ASP  23  -1.113   5.953  -3.694
  144    HB2  ASP  23           2HB      ASP  23  -2.850   4.991  -5.309
  145    HB3  ASP  23           1HB      ASP  23  -3.904   6.295  -4.765
  146    H    GLY  24           H        GLY  24  -4.405   6.649  -2.525
  147    HA2  GLY  24           2HA      GLY  24  -3.401   8.824  -0.935
  148    HA3  GLY  24           1HA      GLY  24  -4.392   9.337  -2.294
  149    H    VAL  25           H        VAL  25  -6.108  10.098  -1.160
  150    HA   VAL  25           HA       VAL  25  -7.345   8.501   0.896
  151    HB   VAL  25           HB       VAL  25  -9.026  10.358   0.993
  152   HG11  VAL  25          1HG1      VAL  25  -6.814  10.202   2.287
  153   HG12  VAL  25          2HG1      VAL  25  -7.639  11.761   2.240
  154   HG13  VAL  25          3HG1      VAL  25  -6.247  11.468   1.196
  155   HG21  VAL  25          3HG2      VAL  25  -7.384  12.255  -0.466
  156   HG22  VAL  25          1HG2      VAL  25  -9.127  11.989  -0.527
  157   HG23  VAL  25          2HG2      VAL  25  -8.049  11.005  -1.517
  158    H    GLY  26           H        GLY  26  -9.037   7.227   0.707
  159    HA2  GLY  26           2HA      GLY  26 -10.824   6.094  -0.175
  160    HA3  GLY  26           1HA      GLY  26 -11.080   7.472  -1.231
  161    H    ILE  27           H        ILE  27  -8.092   5.638  -1.183
  162    HA   ILE  27           HA       ILE  27  -8.854   4.410  -3.746
  163    HB   ILE  27           HB       ILE  27  -6.077   5.430  -3.181
  164   HG12  ILE  27          2HG1      ILE  27  -8.235   6.768  -4.832
  165   HG13  ILE  27          1HG1      ILE  27  -7.662   7.335  -3.267
  166   HG21  ILE  27          1HG2      ILE  27  -5.692   5.069  -5.524
  167   HG22  ILE  27          2HG2      ILE  27  -7.388   4.658  -5.778
  168   HG23  ILE  27          3HG2      ILE  27  -6.357   3.594  -4.822
  169   HD11  ILE  27          3HD1      ILE  27  -5.726   8.161  -4.123
  170   HD12  ILE  27          1HD1      ILE  27  -6.772   8.344  -5.532
  171   HD13  ILE  27          2HD1      ILE  27  -5.663   6.976  -5.428
  172    H    VAL  28           H        VAL  28  -8.359   2.322  -3.927
  173    HA   VAL  28           HA       VAL  28  -7.214   0.987  -1.617
  174    HB   VAL  28           HB       VAL  28  -7.919  -1.115  -2.738
  175   HG11  VAL  28          1HG1      VAL  28  -9.658  -0.677  -1.408
  176   HG12  VAL  28          2HG1      VAL  28 -10.482  -0.122  -2.865
  177   HG13  VAL  28          3HG1      VAL  28  -9.653   1.036  -1.825
  178   HG21  VAL  28          3HG2      VAL  28  -7.953   0.431  -5.037
  179   HG22  VAL  28          1HG2      VAL  28  -9.659   0.148  -4.685
  180   HG23  VAL  28          2HG2      VAL  28  -8.559  -1.218  -4.873
  181    H    ALA  29           H        ALA  29  -6.468   1.607  -4.970
  182    HA   ALA  29           HA       ALA  29  -4.228  -0.188  -5.060
  183    HB1  ALA  29           1HB      ALA  29  -4.617   2.061  -6.992
  184    HB2  ALA  29           2HB      ALA  29  -5.704   0.672  -7.020
  185    HB3  ALA  29           3HB      ALA  29  -3.973   0.443  -7.273
  186    H    GLY  30           H        GLY  30  -2.044   0.359  -4.998
  187    HA2  GLY  30           2HA      GLY  30  -1.151   3.056  -4.712
  188    HA3  GLY  30           1HA      GLY  30  -1.214   2.233  -3.160
  189    H    VAL  31           H        VAL  31   0.982   2.215  -2.821
  190    HA   VAL  31           HA       VAL  31   2.411   0.157  -4.271
  191    HB   VAL  31           HB       VAL  31   2.901   2.179  -5.591
  192   HG11  VAL  31          1HG1      VAL  31   2.826   4.054  -4.311
  193   HG12  VAL  31          2HG1      VAL  31   4.570   3.786  -4.306
  194   HG13  VAL  31          3HG1      VAL  31   3.596   3.278  -2.927
  195   HG21  VAL  31          3HG2      VAL  31   5.476   2.107  -5.196
  196   HG22  VAL  31          1HG2      VAL  31   4.631   0.672  -5.774
  197   HG23  VAL  31          2HG2      VAL  31   5.074   0.809  -4.072
  198    H    CYS  32           H        CYS  32   3.974  -0.817  -3.059
  199    HA   CYS  32           HA       CYS  32   3.862  -0.472  -0.244
  200    HB2  CYS  32           2HB      CYS  32   4.288  -2.645  -1.430
  201    HB3  CYS  32           1HB      CYS  32   5.887  -2.043  -1.853
  202    H    VAL  33           H        VAL  33   5.261   0.565   1.119
  203    HA   VAL  33           HA       VAL  33   6.989   2.541  -0.046
  204    HB   VAL  33           HB       VAL  33   7.430   3.243   2.278
  205   HG11  VAL  33          1HG1      VAL  33   5.638   4.457   1.707
  206   HG12  VAL  33          2HG1      VAL  33   4.749   3.367   2.771
  207   HG13  VAL  33          3HG1      VAL  33   4.792   3.064   1.034
  208   HG21  VAL  33          3HG2      VAL  33   5.955   2.127   4.045
  209   HG22  VAL  33          1HG2      VAL  33   7.410   1.266   3.540
  210   HG23  VAL  33          2HG2      VAL  33   5.835   0.779   2.914
  Start of MODEL   11
    1    H1   GLY   1           1HT      GLY   1  11.281  -0.936   1.059
    2    H2   GLY   1           2HT      GLY   1  10.363   0.465   0.808
    3    H3   GLY   1           3HT      GLY   1  12.054   0.528   0.715
    4    HA2  GLY   1           1HA      GLY   1  10.331   0.180  -1.378
    5    HA3  GLY   1           2HA      GLY   1  12.074  -0.054  -1.411
    6    H    CYS   2           H        CYS   2   9.341  -1.821   0.022
    7    HA   CYS   2           HA       CYS   2  10.542  -4.323  -0.883
    8    HB2  CYS   2           2HB      CYS   2   8.106  -3.841   0.842
    9    HB3  CYS   2           1HB      CYS   2   8.901  -5.389   0.577
   10    H    ALA   3           H        ALA   3   8.455  -2.112  -2.165
   11    HA   ALA   3           HA       ALA   3   6.506  -3.916  -3.275
   12    HB1  ALA   3           1HB      ALA   3   6.672  -1.156  -2.913
   13    HB2  ALA   3           2HB      ALA   3   5.357  -2.064  -3.660
   14    HB3  ALA   3           3HB      ALA   3   6.651  -1.403  -4.658
   15    H    GLY   4           H        GLY   4   6.544  -4.929  -5.167
   16    HA2  GLY   4           2HA      GLY   4   8.939  -4.973  -6.737
   17    HA3  GLY   4           1HA      GLY   4   7.444  -5.834  -7.091
   18    H    LYS   5           H        LYS   5   5.864  -3.365  -6.916
   19    HA   LYS   5           HA       LYS   5   6.747  -1.450  -8.775
   20    HB2  LYS   5           2HB      LYS   5   5.146  -2.011 -10.630
   21    HB3  LYS   5           1HB      LYS   5   6.517  -3.098 -10.487
   22    HG2  LYS   5           2HG      LYS   5   5.092  -4.733  -9.350
   23    HG3  LYS   5           1HG      LYS   5   3.718  -3.639  -9.516
   24    HD2  LYS   5           2HD      LYS   5   3.934  -3.743 -11.955
   25    HD3  LYS   5           1HD      LYS   5   5.309  -4.837 -11.786
   26    HE2  LYS   5           2HE      LYS   5   3.863  -6.473 -10.675
   27    HE3  LYS   5           1HE      LYS   5   2.492  -5.379 -10.853
   28    HZ1  LYS   5           3HZ      LYS   5   2.619  -7.149 -12.567
   29    HZ2  LYS   5           1HZ      LYS   5   4.052  -6.452 -13.138
   30    HZ3  LYS   5           2HZ      LYS   5   2.602  -5.584 -13.210
   31    H    ALA   6           H        ALA   6   3.900  -3.150  -7.537
   32    HA   ALA   6           HA       ALA   6   2.824  -0.680  -6.492
   33    HB1  ALA   6           1HB      ALA   6   1.200  -0.305  -7.976
   34    HB2  ALA   6           2HB      ALA   6   0.709  -1.999  -7.963
   35    HB3  ALA   6           3HB      ALA   6   2.006  -1.466  -9.033
   36    H    CYS   7           H        CYS   7   0.834  -1.104  -5.183
   37    HA   CYS   7           HA       CYS   7   0.364  -3.873  -4.442
   38    HB2  CYS   7           2HB      CYS   7   2.271  -3.329  -3.026
   39    HB3  CYS   7           1HB      CYS   7   1.474  -1.862  -2.470
   40    H    ASN   8           H        ASN   8  -1.701  -4.176  -3.776
   41    HA   ASN   8           HA       ASN   8  -3.372  -1.785  -3.525
   42    HB2  ASN   8           2HB      ASN   8  -3.979  -4.666  -4.149
   43    HB3  ASN   8           1HB      ASN   8  -5.251  -3.562  -3.643
   44   HD21  ASN   8          1HD2      ASN   8  -6.371  -2.894  -5.312
   45   HD22  ASN   8          2HD2      ASN   8  -5.744  -2.484  -6.869
   46    H    LEU   9           H        LEU   9  -4.381  -1.261  -1.665
   47    HA   LEU   9           HA       LEU   9  -3.532  -2.515   0.762
   48    HB2  LEU   9           2HB      LEU   9  -3.952  -0.065   0.481
   49    HB3  LEU   9           1HB      LEU   9  -5.665  -0.412   0.373
   50    HG   LEU   9           HG       LEU   9  -5.615  -1.315   2.671
   51   HD11  LEU   9          1HD1      LEU   9  -3.263  -2.021   2.695
   52   HD12  LEU   9          2HD1      LEU   9  -3.664  -0.997   4.073
   53   HD13  LEU   9          3HD1      LEU   9  -2.767  -0.329   2.710
   54   HD21  LEU   9          3HD2      LEU   9  -4.476   1.468   2.470
   55   HD22  LEU   9          1HD2      LEU   9  -5.427   0.809   3.801
   56   HD23  LEU   9          2HD2      LEU   9  -6.169   1.046   2.219
   57    H    LEU  10           H        LEU  10  -4.596  -4.535  -0.442
   58    HA   LEU  10           HA       LEU  10  -7.069  -5.099   1.032
   59    HB2  LEU  10           2HB      LEU  10  -6.591  -5.689  -1.898
   60    HB3  LEU  10           1HB      LEU  10  -7.919  -6.348  -0.963
   61    HG   LEU  10           HG       LEU  10  -7.495  -3.400  -1.466
   62   HD11  LEU  10          1HD1      LEU  10  -9.808  -4.653  -2.695
   63   HD12  LEU  10          2HD1      LEU  10  -8.284  -5.288  -3.313
   64   HD13  LEU  10          3HD1      LEU  10  -8.613  -3.557  -3.387
   65   HD21  LEU  10          3HD2      LEU  10  -9.974  -3.423  -0.791
   66   HD22  LEU  10          1HD2      LEU  10  -8.766  -3.580   0.483
   67   HD23  LEU  10          2HD2      LEU  10  -9.625  -5.007  -0.098
   68    H    GLY  11           H        GLY  11  -4.240  -5.691   1.384
   69    HA2  GLY  11           2HA      GLY  11  -4.206  -8.194   2.385
   70    HA3  GLY  11           1HA      GLY  11  -3.862  -8.464   0.680
   71    H    LEU  12           H        LEU  12  -1.751  -8.898   0.549
   72    HA   LEU  12           HA       LEU  12   0.147  -6.847   1.196
   73    HB2  LEU  12           2HB      LEU  12  -0.098  -8.001   3.378
   74    HB3  LEU  12           1HB      LEU  12   0.352  -9.511   2.612
   75    HG   LEU  12           HG       LEU  12   2.573  -8.518   2.068
   76   HD11  LEU  12          1HD1      LEU  12   1.312  -6.124   2.743
   77   HD12  LEU  12          2HD1      LEU  12   3.016  -6.364   2.357
   78   HD13  LEU  12          3HD1      LEU  12   2.476  -6.420   4.034
   79   HD21  LEU  12          3HD2      LEU  12   2.266  -9.939   4.028
   80   HD22  LEU  12          1HD2      LEU  12   1.827  -8.526   4.989
   81   HD23  LEU  12          2HD2      LEU  12   3.458  -8.676   4.334
   82    H    THR  13           H        THR  13   1.921  -7.000  -0.098
   83    HA   THR  13           HA       THR  13   2.553  -9.494  -1.429
   84    HB   THR  13           HB       THR  13   0.868  -8.623  -2.936
   85    HG1  THR  13           1HG      THR  13   3.538  -8.336  -3.865
   86   HG21  THR  13          3HG2      THR  13   0.881  -6.283  -2.352
   87   HG22  THR  13          1HG2      THR  13   1.179  -6.446  -4.083
   88   HG23  THR  13          2HG2      THR  13   2.516  -6.096  -2.987
   89    H    CYS  14           H        CYS  14   4.008  -8.234   0.451
   90    HA   CYS  14           HA       CYS  14   6.454  -7.739  -0.934
   91    HB2  CYS  14           2HB      CYS  14   6.712  -5.539   0.549
   92    HB3  CYS  14           1HB      CYS  14   6.097  -5.498  -1.092
   93    H    ASP  15           H        ASP  15   8.149  -7.011   0.804
   94    HA   ASP  15           HA       ASP  15   8.460  -9.132   2.575
   95    HB2  ASP  15           2HB      ASP  15   9.763  -6.406   2.625
   96    HB3  ASP  15           1HB      ASP  15  10.307  -7.794   3.563
   97    H    ALA  16           H        ALA  16   8.368  -9.319   4.793
   98    HA   ALA  16           HA       ALA  16   6.161  -8.030   6.050
   99    HB1  ALA  16           1HB      ALA  16   7.061  -9.355   8.082
  100    HB2  ALA  16           2HB      ALA  16   8.159 -10.084   6.909
  101    HB3  ALA  16           3HB      ALA  16   6.414 -10.238   6.699
  102    H    GLY  17           H        GLY  17   7.235  -5.874   5.622
  103    HA2  GLY  17           2HA      GLY  17   8.110  -4.789   8.122
  104    HA3  GLY  17           1HA      GLY  17   9.408  -4.826   6.929
  105    H    CYS  18           H        CYS  18   7.844  -4.411   4.644
  106    HA   CYS  18           HA       CYS  18   7.350  -1.561   4.881
  107    HB2  CYS  18           2HB      CYS  18   7.412  -3.390   2.466
  108    HB3  CYS  18           1HB      CYS  18   7.209  -1.644   2.405
  109    H    PHE  19           H        PHE  19   5.381  -0.828   5.172
  110    HA   PHE  19           HA       PHE  19   3.109  -2.585   5.010
  111    HB2  PHE  19           2HB      PHE  19   1.814  -0.700   5.889
  112    HB3  PHE  19           1HB      PHE  19   3.263  -0.964   6.848
  113    HD1  PHE  19           2HD      PHE  19   1.650   1.265   4.383
  114    HD2  PHE  19           1HD      PHE  19   4.953   0.692   7.011
  115    HE1  PHE  19           2HE      PHE  19   2.252   3.633   4.128
  116    HE2  PHE  19           1HE      PHE  19   5.560   3.060   6.766
  117    HZ   PHE  19           HZ       PHE  19   4.210   4.536   5.326
  118    H    CYS  20           H        CYS  20   1.404  -2.468   3.586
  119    HA   CYS  20           HA       CYS  20   2.003  -1.419   0.993
  120    HB2  CYS  20           2HB      CYS  20   0.683  -3.522   1.416
  121    HB3  CYS  20           1HB      CYS  20  -0.631  -2.516   2.013
  122    H    ARG  21           H        ARG  21   1.812   0.691   0.541
  123    HA   ARG  21           HA       ARG  21  -0.101   2.273   2.093
  124    HB2  ARG  21           2HB      ARG  21   2.306   2.923   2.086
  125    HB3  ARG  21           1HB      ARG  21   2.178   3.228   0.359
  126    HG2  ARG  21           2HG      ARG  21   0.278   4.830   0.999
  127    HG3  ARG  21           1HG      ARG  21   0.934   4.711   2.632
  128    HD2  ARG  21           2HD      ARG  21   2.980   5.658   2.000
  129    HD3  ARG  21           1HD      ARG  21   2.672   5.391   0.284
  130    HE   ARG  21           HE       ARG  21   0.686   7.092   1.228
  131   HH11  ARG  21          1HH1      ARG  21   4.155   7.120   0.801
  132   HH12  ARG  21          2HH1      ARG  21   4.244   8.828   0.525
  133   HH21  ARG  21          1HH2      ARG  21   0.784   9.351   0.856
  134   HH22  ARG  21          2HH2      ARG  21   2.315  10.103   0.557
  135    HA   PRO  22           HA       PRO  22  -2.669   2.560  -1.540
  136    HB2  PRO  22           2HB      PRO  22  -4.392   4.420  -0.568
  137    HB3  PRO  22           1HB      PRO  22  -4.457   2.716  -0.106
  138    HG2  PRO  22           2HG      PRO  22  -3.272   5.035   1.364
  139    HG3  PRO  22           1HG      PRO  22  -4.226   3.680   1.993
  140    HD2  PRO  22           2HD      PRO  22  -1.519   3.797   2.190
  141    HD3  PRO  22           1HD      PRO  22  -2.411   2.268   2.057
  142    H    ASP  23           H        ASP  23  -3.221   4.140  -3.132
  143    HA   ASP  23           HA       ASP  23  -1.186   5.940  -3.777
  144    HB2  ASP  23           2HB      ASP  23  -2.734   4.979  -5.427
  145    HB3  ASP  23           1HB      ASP  23  -4.059   5.908  -4.736
  146    H    GLY  24           H        GLY  24  -4.493   6.710  -2.668
  147    HA2  GLY  24           2HA      GLY  24  -3.476   8.890  -1.084
  148    HA3  GLY  24           1HA      GLY  24  -4.411   9.397  -2.483
  149    H    VAL  25           H        VAL  25  -6.165  10.212  -1.496
  150    HA   VAL  25           HA       VAL  25  -7.480   8.807   0.639
  151    HB   VAL  25           HB       VAL  25  -9.160  10.661   0.502
  152   HG11  VAL  25          1HG1      VAL  25  -6.371  10.800   1.253
  153   HG12  VAL  25          2HG1      VAL  25  -7.796  11.411   2.094
  154   HG13  VAL  25          3HG1      VAL  25  -7.016  12.393   0.854
  155   HG21  VAL  25          3HG2      VAL  25  -7.776  11.162  -1.977
  156   HG22  VAL  25          1HG2      VAL  25  -7.731  12.587  -0.938
  157   HG23  VAL  25          2HG2      VAL  25  -9.279  11.860  -1.371
  158    H    GLY  26           H        GLY  26  -9.143   7.500   0.524
  159    HA2  GLY  26           2HA      GLY  26 -10.891   6.260  -0.282
  160    HA3  GLY  26           1HA      GLY  26 -11.176   7.560  -1.426
  161    H    ILE  27           H        ILE  27  -8.167   5.752  -1.266
  162    HA   ILE  27           HA       ILE  27  -8.935   4.354  -3.738
  163    HB   ILE  27           HB       ILE  27  -6.168   5.447  -3.276
  164   HG12  ILE  27          2HG1      ILE  27  -8.368   6.640  -4.982
  165   HG13  ILE  27          1HG1      ILE  27  -7.774   7.322  -3.471
  166   HG21  ILE  27          1HG2      ILE  27  -5.633   4.678  -5.362
  167   HG22  ILE  27          2HG2      ILE  27  -7.295   4.774  -5.943
  168   HG23  ILE  27          3HG2      ILE  27  -6.811   3.460  -4.871
  169   HD11  ILE  27          3HD1      ILE  27  -5.889   8.134  -4.424
  170   HD12  ILE  27          1HD1      ILE  27  -6.937   8.151  -5.842
  171   HD13  ILE  27          2HD1      ILE  27  -5.789   6.832  -5.608
  172    H    VAL  28           H        VAL  28  -8.435   2.266  -3.775
  173    HA   VAL  28           HA       VAL  28  -7.210   1.109  -1.410
  174    HB   VAL  28           HB       VAL  28  -7.912  -1.079  -2.370
  175   HG11  VAL  28          1HG1      VAL  28  -9.546  -0.494  -0.939
  176   HG12  VAL  28          2HG1      VAL  28 -10.489  -0.252  -2.411
  177   HG13  VAL  28          3HG1      VAL  28  -9.711   1.122  -1.625
  178   HG21  VAL  28          3HG2      VAL  28  -9.740   0.059  -4.324
  179   HG22  VAL  28          1HG2      VAL  28  -8.660  -1.329  -4.460
  180   HG23  VAL  28          2HG2      VAL  28  -8.048   0.299  -4.760
  181    H    ALA  29           H        ALA  29  -6.572   1.492  -4.825
  182    HA   ALA  29           HA       ALA  29  -4.318  -0.280  -4.868
  183    HB1  ALA  29           1HB      ALA  29  -4.565   1.829  -6.930
  184    HB2  ALA  29           2HB      ALA  29  -5.893   0.674  -6.813
  185    HB3  ALA  29           3HB      ALA  29  -4.249   0.103  -7.103
  186    H    GLY  30           H        GLY  30  -2.124   0.296  -4.922
  187    HA2  GLY  30           2HA      GLY  30  -1.224   2.987  -4.785
  188    HA3  GLY  30           1HA      GLY  30  -1.293   2.281  -3.176
  189    H    VAL  31           H        VAL  31   0.839   2.104  -2.721
  190    HA   VAL  31           HA       VAL  31   2.286   0.046  -4.159
  191    HB   VAL  31           HB       VAL  31   2.892   2.075  -5.400
  192   HG11  VAL  31          1HG1      VAL  31   2.573   3.573  -3.343
  193   HG12  VAL  31          2HG1      VAL  31   3.869   3.972  -4.472
  194   HG13  VAL  31          3HG1      VAL  31   4.241   3.155  -2.953
  195   HG21  VAL  31          3HG2      VAL  31   4.603   0.521  -5.474
  196   HG22  VAL  31          1HG2      VAL  31   4.984   0.703  -3.761
  197   HG23  VAL  31          2HG2      VAL  31   5.426   1.972  -4.904
  198    H    CYS  32           H        CYS  32   3.680  -1.053  -2.873
  199    HA   CYS  32           HA       CYS  32   3.509  -0.667  -0.050
  200    HB2  CYS  32           2HB      CYS  32   3.765  -2.885  -1.322
  201    HB3  CYS  32           1HB      CYS  32   5.462  -2.464  -1.502
  202    H    VAL  33           H        VAL  33   5.034   0.249   1.319
  203    HA   VAL  33           HA       VAL  33   6.861   2.082   0.118
  204    HB   VAL  33           HB       VAL  33   7.505   2.686   2.415
  205   HG11  VAL  33          1HG1      VAL  33   4.650   2.647   2.837
  206   HG12  VAL  33          2HG1      VAL  33   5.045   3.043   1.165
  207   HG13  VAL  33          3HG1      VAL  33   5.717   4.005   2.481
  208   HG21  VAL  33          3HG2      VAL  33   6.591   1.625   4.330
  209   HG22  VAL  33          1HG2      VAL  33   7.254   0.345   3.314
  210   HG23  VAL  33          2HG2      VAL  33   5.514   0.631   3.349
  Start of MODEL   12
    1    H1   GLY   1           1HT      GLY   1   9.998   0.276  -1.068
    2    H2   GLY   1           2HT      GLY   1  11.088   1.548  -1.280
    3    H3   GLY   1           3HT      GLY   1  10.254   1.381   0.187
    4    HA2  GLY   1           1HA      GLY   1  12.726   0.275  -0.567
    5    HA3  GLY   1           2HA      GLY   1  11.910   0.195   0.987
    6    H    CYS   2           H        CYS   2   9.690  -1.299   0.488
    7    HA   CYS   2           HA       CYS   2  10.865  -3.857  -0.423
    8    HB2  CYS   2           2HB      CYS   2   8.512  -3.642   1.425
    9    HB3  CYS   2           1HB      CYS   2   9.615  -4.989   1.197
   10    H    ALA   3           H        ALA   3   9.606  -1.964  -2.135
   11    HA   ALA   3           HA       ALA   3   6.982  -3.077  -2.719
   12    HB1  ALA   3           1HB      ALA   3   8.396  -0.896  -4.232
   13    HB2  ALA   3           2HB      ALA   3   7.456  -0.599  -2.771
   14    HB3  ALA   3           3HB      ALA   3   6.671  -1.262  -4.204
   15    H    GLY   4           H        GLY   4   6.870  -4.841  -3.943
   16    HA2  GLY   4           2HA      GLY   4   9.009  -5.779  -5.559
   17    HA3  GLY   4           1HA      GLY   4   7.360  -6.397  -5.573
   18    H    LYS   5           H        LYS   5   5.943  -4.211  -6.297
   19    HA   LYS   5           HA       LYS   5   7.014  -2.921  -8.623
   20    HB2  LYS   5           2HB      LYS   5   5.088  -5.205  -8.897
   21    HB3  LYS   5           1HB      LYS   5   4.974  -3.848 -10.005
   22    HG2  LYS   5           2HG      LYS   5   7.549  -5.332  -9.595
   23    HG3  LYS   5           1HG      LYS   5   6.325  -5.885 -10.737
   24    HD2  LYS   5           2HD      LYS   5   7.860  -4.596 -11.994
   25    HD3  LYS   5           1HD      LYS   5   6.436  -3.582 -11.779
   26    HE2  LYS   5           2HE      LYS   5   8.446  -2.273 -11.449
   27    HE3  LYS   5           1HE      LYS   5   7.568  -2.420  -9.928
   28    HZ1  LYS   5           3HZ      LYS   5   9.853  -4.164 -10.663
   29    HZ2  LYS   5           1HZ      LYS   5   9.108  -4.026  -9.146
   30    HZ3  LYS   5           2HZ      LYS   5  10.021  -2.741  -9.766
   31    H    ALA   6           H        ALA   6   4.077  -3.881  -6.903
   32    HA   ALA   6           HA       ALA   6   3.340  -1.209  -6.283
   33    HB1  ALA   6           1HB      ALA   6   2.656  -1.749  -8.819
   34    HB2  ALA   6           2HB      ALA   6   1.676  -0.733  -7.762
   35    HB3  ALA   6           3HB      ALA   6   1.252  -2.428  -7.997
   36    H    CYS   7           H        CYS   7   0.805  -1.383  -5.614
   37    HA   CYS   7           HA       CYS   7   0.227  -3.962  -4.416
   38    HB2  CYS   7           2HB      CYS   7   1.694  -2.792  -2.760
   39    HB3  CYS   7           1HB      CYS   7   0.497  -1.504  -2.670
   40    H    ASN   8           H        ASN   8  -1.968  -3.944  -3.383
   41    HA   ASN   8           HA       ASN   8  -3.696  -1.763  -4.292
   42    HB2  ASN   8           2HB      ASN   8  -3.506  -3.624  -6.047
   43    HB3  ASN   8           1HB      ASN   8  -4.362  -4.641  -4.905
   44   HD21  ASN   8          1HD2      ASN   8  -5.577  -1.628  -4.437
   45   HD22  ASN   8          2HD2      ASN   8  -6.915  -1.695  -5.525
   46    H    LEU   9           H        LEU   9  -2.654  -3.097  -1.759
   47    HA   LEU   9           HA       LEU   9  -3.358  -3.679   0.323
   48    HB2  LEU   9           2HB      LEU   9  -4.302  -1.352  -0.052
   49    HB3  LEU   9           1HB      LEU   9  -5.843  -2.122  -0.377
   50    HG   LEU   9           HG       LEU   9  -5.825  -3.074   1.909
   51   HD11  LEU   9          1HD1      LEU   9  -4.203  -2.471   3.517
   52   HD12  LEU   9          2HD1      LEU   9  -3.465  -1.287   2.439
   53   HD13  LEU   9          3HD1      LEU   9  -3.307  -3.011   2.098
   54   HD21  LEU   9          3HD2      LEU   9  -7.047  -1.269   2.325
   55   HD22  LEU   9          1HD2      LEU   9  -6.130  -0.324   1.152
   56   HD23  LEU   9          2HD2      LEU   9  -5.576  -0.433   2.823
   57    H    LEU  10           H        LEU  10  -3.965  -5.593  -1.692
   58    HA   LEU  10           HA       LEU  10  -6.257  -6.919  -0.434
   59    HB2  LEU  10           2HB      LEU  10  -5.719  -6.702  -3.399
   60    HB3  LEU  10           1HB      LEU  10  -6.868  -7.825  -2.698
   61    HG   LEU  10           HG       LEU  10  -7.048  -4.818  -2.470
   62   HD11  LEU  10          1HD1      LEU  10  -8.069  -6.755  -4.465
   63   HD12  LEU  10          2HD1      LEU  10  -7.600  -5.066  -4.658
   64   HD13  LEU  10          3HD1      LEU  10  -9.162  -5.473  -3.946
   65   HD21  LEU  10          3HD2      LEU  10  -8.942  -7.029  -1.683
   66   HD22  LEU  10          1HD2      LEU  10  -9.349  -5.312  -1.698
   67   HD23  LEU  10          2HD2      LEU  10  -8.104  -5.915  -0.602
   68    H    GLY  11           H        GLY  11  -3.715  -7.408   0.343
   69    HA2  GLY  11           2HA      GLY  11  -3.413 -10.108   0.272
   70    HA3  GLY  11           1HA      GLY  11  -2.539  -9.565  -1.153
   71    H    LEU  12           H        LEU  12  -0.503 -10.067  -0.477
   72    HA   LEU  12           HA       LEU  12   0.612  -8.305   1.554
   73    HB2  LEU  12           2HB      LEU  12   0.001 -10.465   2.671
   74    HB3  LEU  12           1HB      LEU  12   1.109 -11.286   1.589
   75    HG   LEU  12           HG       LEU  12   2.978  -9.967   2.538
   76   HD11  LEU  12          1HD1      LEU  12   1.345  -8.105   3.284
   77   HD12  LEU  12          2HD1      LEU  12   2.743  -8.476   4.293
   78   HD13  LEU  12          3HD1      LEU  12   1.149  -9.089   4.735
   79   HD21  LEU  12          3HD2      LEU  12   3.158 -11.830   3.737
   80   HD22  LEU  12          1HD2      LEU  12   1.407 -11.985   3.889
   81   HD23  LEU  12          2HD2      LEU  12   2.306 -10.984   5.029
   82    H    THR  13           H        THR  13   1.004  -7.722  -0.915
   83    HA   THR  13           HA       THR  13   3.335  -9.081  -1.996
   84    HB   THR  13           HB       THR  13   1.563  -8.442  -3.554
   85    HG1  THR  13           1HG      THR  13   4.062  -7.129  -3.799
   86   HG21  THR  13          3HG2      THR  13   1.060  -6.300  -2.111
   87   HG22  THR  13          1HG2      THR  13   0.723  -6.324  -3.842
   88   HG23  THR  13          2HG2      THR  13   2.185  -5.543  -3.240
   89    H    CYS  14           H        CYS  14   3.463  -7.582   0.520
   90    HA   CYS  14           HA       CYS  14   5.658  -5.759  -0.179
   91    HB2  CYS  14           2HB      CYS  14   3.718  -5.253   2.085
   92    HB3  CYS  14           1HB      CYS  14   4.980  -4.179   1.498
   93    H    ASP  15           H        ASP  15   7.448  -5.963   1.148
   94    HA   ASP  15           HA       ASP  15   7.600  -8.334   2.733
   95    HB2  ASP  15           2HB      ASP  15   9.487  -7.242   1.352
   96    HB3  ASP  15           1HB      ASP  15   9.690  -6.170   2.734
   97    H    ALA  16           H        ALA  16   8.858  -8.051   4.938
   98    HA   ALA  16           HA       ALA  16   6.998  -6.955   6.755
   99    HB1  ALA  16           1HB      ALA  16   9.133  -7.392   8.319
  100    HB2  ALA  16           2HB      ALA  16   9.577  -8.371   6.921
  101    HB3  ALA  16           3HB      ALA  16   8.055  -8.672   7.760
  102    H    GLY  17           H        GLY  17   6.878  -5.059   7.758
  103    HA2  GLY  17           2HA      GLY  17   7.742  -3.114   8.787
  104    HA3  GLY  17           1HA      GLY  17   9.190  -3.272   7.805
  105    H    CYS  18           H        CYS  18   7.886  -3.617   5.319
  106    HA   CYS  18           HA       CYS  18   7.193  -0.838   4.821
  107    HB2  CYS  18           2HB      CYS  18   7.720  -3.150   2.954
  108    HB3  CYS  18           1HB      CYS  18   7.337  -1.518   2.420
  109    H    PHE  19           H        PHE  19   5.143  -0.396   5.294
  110    HA   PHE  19           HA       PHE  19   3.016  -2.262   4.918
  111    HB2  PHE  19           2HB      PHE  19   1.542  -0.410   5.630
  112    HB3  PHE  19           1HB      PHE  19   2.885  -0.661   6.734
  113    HD1  PHE  19           1HD      PHE  19   1.581   1.570   4.058
  114    HD2  PHE  19           2HD      PHE  19   4.426   1.051   7.192
  115    HE1  PHE  19           1HE      PHE  19   2.164   3.950   3.919
  116    HE2  PHE  19           2HE      PHE  19   5.012   3.434   7.053
  117    HZ   PHE  19           HZ       PHE  19   3.880   4.887   5.418
  118    H    CYS  20           H        CYS  20   1.274  -2.135   3.506
  119    HA   CYS  20           HA       CYS  20   1.920  -1.248   0.860
  120    HB2  CYS  20           2HB      CYS  20   0.625  -3.281   1.118
  121    HB3  CYS  20           1HB      CYS  20  -0.593  -2.439   2.067
  122    H    ARG  21           H        ARG  21   2.062   0.953   0.787
  123    HA   ARG  21           HA       ARG  21   0.074   2.591   2.071
  124    HB2  ARG  21           2HB      ARG  21   2.438   3.278   1.994
  125    HB3  ARG  21           1HB      ARG  21   2.342   3.386   0.240
  126    HG2  ARG  21           2HG      ARG  21   0.443   5.049   0.639
  127    HG3  ARG  21           1HG      ARG  21   1.024   5.099   2.304
  128    HD2  ARG  21           2HD      ARG  21   3.068   6.042   1.690
  129    HD3  ARG  21           1HD      ARG  21   2.906   5.534   0.008
  130    HE   ARG  21           HE       ARG  21   1.885   7.937   1.200
  131   HH11  ARG  21          1HH1      ARG  21   1.555   5.698  -1.471
  132   HH12  ARG  21          2HH1      ARG  21   0.549   6.756  -2.407
  133   HH21  ARG  21          1HH2      ARG  21   0.569   9.355  -0.067
  134   HH22  ARG  21          2HH2      ARG  21  -0.018   8.820  -1.612
  135    HA   PRO  22           HA       PRO  22  -2.588   2.639  -1.516
  136    HB2  PRO  22           2HB      PRO  22  -4.372   4.420  -0.494
  137    HB3  PRO  22           1HB      PRO  22  -4.373   2.703  -0.078
  138    HG2  PRO  22           2HG      PRO  22  -3.301   5.029   1.458
  139    HG3  PRO  22           1HG      PRO  22  -4.148   3.589   2.050
  140    HD2  PRO  22           2HD      PRO  22  -1.441   3.906   2.203
  141    HD3  PRO  22           1HD      PRO  22  -2.234   2.323   2.077
  142    H    ASP  23           H        ASP  23  -3.134   4.189  -3.116
  143    HA   ASP  23           HA       ASP  23  -1.189   6.079  -3.701
  144    HB2  ASP  23           2HB      ASP  23  -2.846   5.075  -5.303
  145    HB3  ASP  23           1HB      ASP  23  -4.052   6.183  -4.656
  146    H    GLY  24           H        GLY  24  -4.513   6.745  -2.576
  147    HA2  GLY  24           2HA      GLY  24  -3.556   8.892  -0.921
  148    HA3  GLY  24           1HA      GLY  24  -4.475   9.432  -2.318
  149    H    VAL  25           H        VAL  25  -6.248  10.198  -1.303
  150    HA   VAL  25           HA       VAL  25  -7.571   8.718   0.762
  151    HB   VAL  25           HB       VAL  25  -9.297  10.529   0.626
  152   HG11  VAL  25          1HG1      VAL  25  -7.424  10.656   2.180
  153   HG12  VAL  25          2HG1      VAL  25  -7.848  12.258   1.573
  154   HG13  VAL  25          3HG1      VAL  25  -6.433  11.420   0.937
  155   HG21  VAL  25          3HG2      VAL  25  -7.402  11.958  -1.215
  156   HG22  VAL  25          1HG2      VAL  25  -9.056  12.388  -0.779
  157   HG23  VAL  25          2HG2      VAL  25  -8.754  11.007  -1.833
  158    H    GLY  26           H        GLY  26  -9.213   7.389   0.614
  159    HA2  GLY  26           2HA      GLY  26 -10.924   6.122  -0.233
  160    HA3  GLY  26           1HA      GLY  26 -11.199   7.412  -1.391
  161    H    ILE  27           H        ILE  27  -8.149   5.696  -1.149
  162    HA   ILE  27           HA       ILE  27  -8.825   4.231  -3.608
  163    HB   ILE  27           HB       ILE  27  -6.116   5.458  -3.152
  164   HG12  ILE  27          2HG1      ILE  27  -8.353   6.535  -4.884
  165   HG13  ILE  27          1HG1      ILE  27  -7.811   7.255  -3.371
  166   HG21  ILE  27          1HG2      ILE  27  -7.248   3.640  -5.075
  167   HG22  ILE  27          2HG2      ILE  27  -5.565   4.109  -4.827
  168   HG23  ILE  27          3HG2      ILE  27  -6.607   5.080  -5.867
  169   HD11  ILE  27          3HD1      ILE  27  -6.092   8.279  -4.351
  170   HD12  ILE  27          1HD1      ILE  27  -6.948   7.953  -5.858
  171   HD13  ILE  27          2HD1      ILE  27  -5.673   6.862  -5.314
  172    H    VAL  28           H        VAL  28  -8.239   2.170  -3.588
  173    HA   VAL  28           HA       VAL  28  -6.894   1.134  -1.223
  174    HB   VAL  28           HB       VAL  28  -7.555  -1.118  -2.142
  175   HG11  VAL  28          1HG1      VAL  28  -8.864   0.045  -0.428
  176   HG12  VAL  28          2HG1      VAL  28  -9.896  -0.894  -1.507
  177   HG13  VAL  28          3HG1      VAL  28  -9.790   0.858  -1.690
  178   HG21  VAL  28          3HG2      VAL  28  -8.422  -1.346  -4.181
  179   HG22  VAL  28          1HG2      VAL  28  -8.058   0.357  -4.464
  180   HG23  VAL  28          2HG2      VAL  28  -9.645  -0.117  -3.855
  181    H    ALA  29           H        ALA  29  -6.424   1.488  -4.654
  182    HA   ALA  29           HA       ALA  29  -4.189  -0.267  -4.872
  183    HB1  ALA  29           1HB      ALA  29  -4.171   0.278  -7.076
  184    HB2  ALA  29           2HB      ALA  29  -4.451   1.991  -6.769
  185    HB3  ALA  29           3HB      ALA  29  -5.795   0.852  -6.697
  186    H    GLY  30           H        GLY  30  -2.002   0.207  -4.833
  187    HA2  GLY  30           2HA      GLY  30  -0.994   2.861  -4.625
  188    HA3  GLY  30           1HA      GLY  30  -1.102   2.121  -3.035
  189    H    VAL  31           H        VAL  31   1.080   2.022  -2.670
  190    HA   VAL  31           HA       VAL  31   2.437  -0.167  -3.987
  191    HB   VAL  31           HB       VAL  31   2.995   1.765  -5.425
  192   HG11  VAL  31          1HG1      VAL  31   4.161   3.661  -4.683
  193   HG12  VAL  31          2HG1      VAL  31   4.496   2.943  -3.107
  194   HG13  VAL  31          3HG1      VAL  31   2.854   3.436  -3.521
  195   HG21  VAL  31          3HG2      VAL  31   4.607   0.028  -5.360
  196   HG22  VAL  31          1HG2      VAL  31   5.237   0.580  -3.807
  197   HG23  VAL  31          2HG2      VAL  31   5.492   1.551  -5.257
  198    H    CYS  32           H        CYS  32   4.014  -1.096  -2.706
  199    HA   CYS  32           HA       CYS  32   3.863  -0.619   0.085
  200    HB2  CYS  32           2HB      CYS  32   6.119  -2.101  -1.251
  201    HB3  CYS  32           1HB      CYS  32   5.392  -2.401   0.323
  202    H    VAL  33           H        VAL  33   5.247   0.504   1.442
  203    HA   VAL  33           HA       VAL  33   6.835   2.545   0.241
  204    HB   VAL  33           HB       VAL  33   7.464   3.170   2.554
  205   HG11  VAL  33          1HG1      VAL  33   4.935   3.401   3.308
  206   HG12  VAL  33          2HG1      VAL  33   4.654   2.866   1.651
  207   HG13  VAL  33          3HG1      VAL  33   5.595   4.325   1.958
  208   HG21  VAL  33          3HG2      VAL  33   6.792   1.996   4.443
  209   HG22  VAL  33          1HG2      VAL  33   7.299   0.717   3.340
  210   HG23  VAL  33          2HG2      VAL  33   5.583   1.066   3.556
  Start of MODEL   13
    1    H1   GLY   1           1HT      GLY   1  12.155   0.111   1.183
    2    H2   GLY   1           2HT      GLY   1  11.362  -1.328   1.576
    3    H3   GLY   1           3HT      GLY   1  10.461   0.056   1.200
    4    HA2  GLY   1           1HA      GLY   1  10.541  -0.339  -0.965
    5    HA3  GLY   1           2HA      GLY   1  12.278  -0.613  -0.896
    6    H    CYS   2           H        CYS   2   9.437  -2.242   0.500
    7    HA   CYS   2           HA       CYS   2  10.619  -4.814  -0.207
    8    HB2  CYS   2           2HB      CYS   2   8.065  -4.236   1.304
    9    HB3  CYS   2           1HB      CYS   2   8.897  -5.782   1.200
   10    H    ALA   3           H        ALA   3   8.312  -2.611  -1.397
   11    HA   ALA   3           HA       ALA   3   6.477  -4.339  -2.635
   12    HB1  ALA   3           1HB      ALA   3   5.513  -2.453  -3.325
   13    HB2  ALA   3           2HB      ALA   3   6.982  -1.896  -4.128
   14    HB3  ALA   3           3HB      ALA   3   6.760  -1.616  -2.400
   15    H    GLY   4           H        GLY   4   6.615  -5.605  -4.342
   16    HA2  GLY   4           2HA      GLY   4   9.052  -5.892  -5.802
   17    HA3  GLY   4           1HA      GLY   4   7.544  -6.738  -6.120
   18    H    LYS   5           H        LYS   5   6.062  -4.198  -6.323
   19    HA   LYS   5           HA       LYS   5   7.146  -2.634  -8.420
   20    HB2  LYS   5           2HB      LYS   5   6.664  -4.723  -9.688
   21    HB3  LYS   5           1HB      LYS   5   4.971  -4.573  -9.235
   22    HG2  LYS   5           2HG      LYS   5   4.883  -2.403 -10.406
   23    HG3  LYS   5           1HG      LYS   5   6.553  -2.645 -10.921
   24    HD2  LYS   5           2HD      LYS   5   5.880  -4.697 -12.090
   25    HD3  LYS   5           1HD      LYS   5   4.209  -4.423 -11.593
   26    HE2  LYS   5           2HE      LYS   5   5.876  -2.627 -13.353
   27    HE3  LYS   5           1HE      LYS   5   4.551  -3.666 -13.876
   28    HZ1  LYS   5           3HZ      LYS   5   3.020  -2.211 -13.162
   29    HZ2  LYS   5           1HZ      LYS   5   4.276  -1.082 -13.248
   30    HZ3  LYS   5           2HZ      LYS   5   3.883  -1.797 -11.767
   31    H    ALA   6           H        ALA   6   4.179  -3.855  -6.913
   32    HA   ALA   6           HA       ALA   6   3.334  -1.222  -6.188
   33    HB1  ALA   6           1HB      ALA   6   1.496  -0.898  -7.571
   34    HB2  ALA   6           2HB      ALA   6   1.436  -2.592  -8.059
   35    HB3  ALA   6           3HB      ALA   6   2.703  -1.538  -8.687
   36    H    CYS   7           H        CYS   7   0.915  -1.416  -5.371
   37    HA   CYS   7           HA       CYS   7   0.274  -4.047  -4.332
   38    HB2  CYS   7           2HB      CYS   7   1.854  -3.231  -2.651
   39    HB3  CYS   7           1HB      CYS   7   0.940  -1.735  -2.490
   40    H    ASN   8           H        ASN   8  -1.919  -4.268  -4.146
   41    HA   ASN   8           HA       ASN   8  -3.495  -1.807  -4.502
   42    HB2  ASN   8           2HB      ASN   8  -3.576  -4.344  -5.818
   43    HB3  ASN   8           1HB      ASN   8  -5.096  -4.102  -4.962
   44   HD21  ASN   8          1HD2      ASN   8  -6.601  -3.170  -6.117
   45   HD22  ASN   8          2HD2      ASN   8  -6.352  -2.039  -7.399
   46    H    LEU   9           H        LEU   9  -2.488  -3.043  -1.974
   47    HA   LEU   9           HA       LEU   9  -3.159  -3.219   0.179
   48    HB2  LEU   9           2HB      LEU   9  -4.702  -1.331  -0.527
   49    HB3  LEU   9           1HB      LEU   9  -5.952  -2.539  -0.731
   50    HG   LEU   9           HG       LEU   9  -4.552  -2.254   1.910
   51   HD11  LEU   9          1HD1      LEU   9  -6.290  -0.306   0.618
   52   HD12  LEU   9          2HD1      LEU   9  -5.292  -0.153   2.064
   53   HD13  LEU   9          3HD1      LEU   9  -6.904  -0.858   2.178
   54   HD21  LEU   9          3HD2      LEU   9  -5.921  -4.150   1.878
   55   HD22  LEU   9          1HD2      LEU   9  -7.179  -3.339   0.942
   56   HD23  LEU   9          2HD2      LEU   9  -6.926  -2.914   2.634
   57    H    LEU  10           H        LEU  10  -5.618  -4.562  -1.994
   58    HA   LEU  10           HA       LEU  10  -6.336  -6.698  -0.232
   59    HB2  LEU  10           2HB      LEU  10  -6.868  -6.417  -3.188
   60    HB3  LEU  10           1HB      LEU  10  -7.717  -7.468  -2.070
   61    HG   LEU  10           HG       LEU  10  -7.771  -4.449  -2.002
   62   HD11  LEU  10          1HD1      LEU  10 -10.160  -4.801  -2.672
   63   HD12  LEU  10          2HD1      LEU  10  -9.745  -6.480  -3.018
   64   HD13  LEU  10          3HD1      LEU  10  -8.971  -5.176  -3.919
   65   HD21  LEU  10          3HD2      LEU  10  -8.818  -4.563  -0.036
   66   HD22  LEU  10          1HD2      LEU  10  -8.240  -6.227   0.061
   67   HD23  LEU  10          2HD2      LEU  10  -9.850  -5.888  -0.574
   68    H    GLY  11           H        GLY  11  -3.706  -7.004  -0.277
   69    HA2  GLY  11           2HA      GLY  11  -3.296  -9.623  -1.151
   70    HA3  GLY  11           1HA      GLY  11  -2.647  -8.558  -2.389
   71    H    LEU  12           H        LEU  12  -1.549 -10.440  -0.189
   72    HA   LEU  12           HA       LEU  12   0.142  -8.671   1.347
   73    HB2  LEU  12           2HB      LEU  12  -0.021 -11.677   1.137
   74    HB3  LEU  12           1HB      LEU  12   1.194 -10.861   2.099
   75    HG   LEU  12           HG       LEU  12  -0.495 -11.531   3.602
   76   HD11  LEU  12          1HD1      LEU  12  -1.648  -9.172   4.056
   77   HD12  LEU  12          2HD1      LEU  12  -0.374  -8.654   2.952
   78   HD13  LEU  12          3HD1      LEU  12   0.041  -9.506   4.440
   79   HD21  LEU  12          3HD2      LEU  12  -2.852 -11.079   3.333
   80   HD22  LEU  12          1HD2      LEU  12  -2.250 -11.963   1.930
   81   HD23  LEU  12          2HD2      LEU  12  -2.546 -10.228   1.819
   82    H    THR  13           H        THR  13   0.553  -8.089  -1.210
   83    HA   THR  13           HA       THR  13   2.802  -9.566  -2.267
   84    HB   THR  13           HB       THR  13   1.146  -8.765  -3.832
   85    HG1  THR  13           1HG      THR  13   3.665  -7.459  -3.986
   86   HG21  THR  13          3HG2      THR  13   1.728  -6.075  -2.629
   87   HG22  THR  13          1HG2      THR  13   0.172  -6.878  -2.845
   88   HG23  THR  13          2HG2      THR  13   1.033  -6.235  -4.243
   89    H    CYS  14           H        CYS  14   3.580  -8.722   0.134
   90    HA   CYS  14           HA       CYS  14   5.822  -7.063  -0.463
   91    HB2  CYS  14           2HB      CYS  14   3.712  -5.525   0.095
   92    HB3  CYS  14           1HB      CYS  14   4.192  -5.921   1.743
   93    H    ASP  15           H        ASP  15   7.238  -6.848   1.395
   94    HA   ASP  15           HA       ASP  15   7.359  -9.269   2.901
   95    HB2  ASP  15           2HB      ASP  15   9.068  -6.782   2.883
   96    HB3  ASP  15           1HB      ASP  15   9.373  -8.129   3.973
   97    H    ALA  16           H        ALA  16   7.439  -9.454   5.180
   98    HA   ALA  16           HA       ALA  16   5.391  -7.984   6.513
   99    HB1  ALA  16           1HB      ALA  16   7.248  -9.694   8.071
  100    HB2  ALA  16           2HB      ALA  16   6.277 -10.467   6.818
  101    HB3  ALA  16           3HB      ALA  16   5.489  -9.586   8.127
  102    H    GLY  17           H        GLY  17   6.581  -5.915   6.041
  103    HA2  GLY  17           2HA      GLY  17   7.602  -4.860   8.474
  104    HA3  GLY  17           1HA      GLY  17   8.897  -5.067   7.298
  105    H    CYS  18           H        CYS  18   7.412  -4.563   4.984
  106    HA   CYS  18           HA       CYS  18   7.166  -1.673   5.159
  107    HB2  CYS  18           2HB      CYS  18   7.248  -3.552   2.785
  108    HB3  CYS  18           1HB      CYS  18   7.092  -1.804   2.662
  109    H    PHE  19           H        PHE  19   5.255  -0.770   5.340
  110    HA   PHE  19           HA       PHE  19   2.863  -2.350   5.135
  111    HB2  PHE  19           2HB      PHE  19   1.689  -0.343   5.923
  112    HB3  PHE  19           1HB      PHE  19   3.063  -0.726   6.948
  113    HD1  PHE  19           1HD      PHE  19   1.775   1.606   4.395
  114    HD2  PHE  19           2HD      PHE  19   4.885   0.777   7.183
  115    HE1  PHE  19           1HE      PHE  19   2.608   3.905   4.142
  116    HE2  PHE  19           2HE      PHE  19   5.724   3.075   6.933
  117    HZ   PHE  19           HZ       PHE  19   4.585   4.643   5.413
  118    H    CYS  20           H        CYS  20   1.231  -2.172   3.661
  119    HA   CYS  20           HA       CYS  20   1.950  -1.208   1.061
  120    HB2  CYS  20           2HB      CYS  20   0.588  -3.233   1.320
  121    HB3  CYS  20           1HB      CYS  20  -0.669  -2.303   2.124
  122    H    ARG  21           H        ARG  21   1.847   0.896   0.544
  123    HA   ARG  21           HA       ARG  21  -0.009   2.605   2.015
  124    HB2  ARG  21           2HB      ARG  21   2.478   3.145   1.721
  125    HB3  ARG  21           1HB      ARG  21   2.077   3.528   0.053
  126    HG2  ARG  21           2HG      ARG  21   0.209   4.978   1.349
  127    HG3  ARG  21           1HG      ARG  21   1.523   5.015   2.523
  128    HD2  ARG  21           2HD      ARG  21   2.060   6.845   1.248
  129    HD3  ARG  21           1HD      ARG  21   2.963   5.595   0.394
  130    HE   ARG  21           HE       ARG  21   0.337   5.854  -0.671
  131   HH11  ARG  21          1HH1      ARG  21   3.494   7.377  -0.693
  132   HH12  ARG  21          2HH1      ARG  21   3.231   8.190  -2.199
  133   HH21  ARG  21          1HH2      ARG  21  -0.021   6.939  -2.642
  134   HH22  ARG  21          2HH2      ARG  21   1.224   7.937  -3.316
  135    HA   PRO  22           HA       PRO  22  -2.660   2.716  -1.550
  136    HB2  PRO  22           2HB      PRO  22  -4.380   4.591  -0.625
  137    HB3  PRO  22           1HB      PRO  22  -4.411   2.913  -0.077
  138    HG2  PRO  22           2HG      PRO  22  -3.316   5.328   1.274
  139    HG3  PRO  22           1HG      PRO  22  -4.122   3.916   1.977
  140    HD2  PRO  22           2HD      PRO  22  -1.389   4.334   1.973
  141    HD3  PRO  22           1HD      PRO  22  -2.165   2.751   2.144
  142    H    ASP  23           H        ASP  23  -3.268   4.266  -3.187
  143    HA   ASP  23           HA       ASP  23  -1.220   6.058  -3.860
  144    HB2  ASP  23           2HB      ASP  23  -2.909   5.008  -5.428
  145    HB3  ASP  23           1HB      ASP  23  -4.060   6.220  -4.872
  146    H    GLY  24           H        GLY  24  -4.522   6.763  -2.713
  147    HA2  GLY  24           2HA      GLY  24  -3.520   9.045  -1.249
  148    HA3  GLY  24           1HA      GLY  24  -4.592   9.437  -2.586
  149    H    VAL  25           H        VAL  25  -6.287  10.195  -1.420
  150    HA   VAL  25           HA       VAL  25  -7.355   8.694   0.792
  151    HB   VAL  25           HB       VAL  25  -9.112  10.479   0.848
  152   HG11  VAL  25          1HG1      VAL  25  -6.215  10.873   1.210
  153   HG12  VAL  25          2HG1      VAL  25  -7.541  11.056   2.359
  154   HG13  VAL  25          3HG1      VAL  25  -7.193  12.339   1.201
  155   HG21  VAL  25          3HG2      VAL  25  -8.913  11.018  -1.610
  156   HG22  VAL  25          1HG2      VAL  25  -7.422  11.877  -1.219
  157   HG23  VAL  25          2HG2      VAL  25  -8.955  12.410  -0.527
  158    H    GLY  26           H        GLY  26  -9.008   7.356   0.787
  159    HA2  GLY  26           2HA      GLY  26 -10.777   6.082   0.082
  160    HA3  GLY  26           1HA      GLY  26 -11.153   7.372  -1.048
  161    H    ILE  27           H        ILE  27  -8.105   5.620  -1.026
  162    HA   ILE  27           HA       ILE  27  -8.953   4.170  -3.439
  163    HB   ILE  27           HB       ILE  27  -6.219   5.407  -3.188
  164   HG12  ILE  27          2HG1      ILE  27  -8.570   6.478  -4.766
  165   HG13  ILE  27          1HG1      ILE  27  -7.939   7.197  -3.288
  166   HG21  ILE  27          1HG2      ILE  27  -7.637   4.449  -5.656
  167   HG22  ILE  27          2HG2      ILE  27  -6.623   3.400  -4.665
  168   HG23  ILE  27          3HG2      ILE  27  -5.924   4.814  -5.454
  169   HD11  ILE  27          3HD1      ILE  27  -6.171   8.127  -4.338
  170   HD12  ILE  27          1HD1      ILE  27  -7.255   8.025  -5.727
  171   HD13  ILE  27          2HD1      ILE  27  -6.011   6.797  -5.486
  172    H    VAL  28           H        VAL  28  -8.328   2.107  -3.478
  173    HA   VAL  28           HA       VAL  28  -6.843   1.079  -1.196
  174    HB   VAL  28           HB       VAL  28  -7.471  -1.175  -2.080
  175   HG11  VAL  28          1HG1      VAL  28 -10.106  -0.446  -1.888
  176   HG12  VAL  28          2HG1      VAL  28  -9.279   0.887  -1.083
  177   HG13  VAL  28          3HG1      VAL  28  -9.029  -0.769  -0.529
  178   HG21  VAL  28          3HG2      VAL  28  -7.931   0.142  -4.449
  179   HG22  VAL  28          1HG2      VAL  28  -9.560  -0.150  -3.839
  180   HG23  VAL  28          2HG2      VAL  28  -8.448  -1.500  -4.067
  181    H    ALA  29           H        ALA  29  -6.563   1.437  -4.649
  182    HA   ALA  29           HA       ALA  29  -4.258  -0.193  -4.987
  183    HB1  ALA  29           1HB      ALA  29  -6.034   1.198  -6.657
  184    HB2  ALA  29           2HB      ALA  29  -4.704   0.146  -7.139
  185    HB3  ALA  29           3HB      ALA  29  -4.437   1.881  -6.965
  186    H    GLY  30           H        GLY  30  -2.111   0.370  -5.029
  187    HA2  GLY  30           2HA      GLY  30  -1.140   3.021  -5.001
  188    HA3  GLY  30           1HA      GLY  30  -1.239   2.426  -3.350
  189    H    VAL  31           H        VAL  31   0.862   2.190  -2.848
  190    HA   VAL  31           HA       VAL  31   2.278   0.021  -4.140
  191    HB   VAL  31           HB       VAL  31   2.971   1.957  -5.483
  192   HG11  VAL  31          1HG1      VAL  31   3.480   3.147  -2.817
  193   HG12  VAL  31          2HG1      VAL  31   2.878   3.890  -4.299
  194   HG13  VAL  31          3HG1      VAL  31   4.599   3.551  -4.120
  195   HG21  VAL  31          3HG2      VAL  31   4.841   0.387  -3.843
  196   HG22  VAL  31          1HG2      VAL  31   5.530   1.807  -4.632
  197   HG23  VAL  31          2HG2      VAL  31   4.732   0.563  -5.595
  198    H    CYS  32           H        CYS  32   3.606  -1.038  -2.759
  199    HA   CYS  32           HA       CYS  32   3.404  -0.408   0.028
  200    HB2  CYS  32           2HB      CYS  32   3.412  -2.740  -0.926
  201    HB3  CYS  32           1HB      CYS  32   5.117  -2.521  -1.298
  202    H    VAL  33           H        VAL  33   5.086   0.250   1.404
  203    HA   VAL  33           HA       VAL  33   7.073   1.883   0.127
  204    HB   VAL  33           HB       VAL  33   7.738   2.528   2.413
  205   HG11  VAL  33          1HG1      VAL  33   4.787   2.690   2.510
  206   HG12  VAL  33          2HG1      VAL  33   5.571   3.305   1.056
  207   HG13  VAL  33          3HG1      VAL  33   6.000   3.964   2.635
  208   HG21  VAL  33          3HG2      VAL  33   6.820   1.623   4.345
  209   HG22  VAL  33          1HG2      VAL  33   7.089   0.202   3.336
  210   HG23  VAL  33          2HG2      VAL  33   5.470   0.889   3.479
  Start of MODEL   14
    1    H1   GLY   1           1HT      GLY   1  11.288  -0.849   0.696
    2    H2   GLY   1           2HT      GLY   1  10.233   0.476   0.689
    3    H3   GLY   1           3HT      GLY   1  11.847   0.671   0.213
    4    HA2  GLY   1           1HA      GLY   1   9.745   0.226  -1.450
    5    HA3  GLY   1           2HA      GLY   1  11.447   0.061  -1.867
    6    H    CYS   2           H        CYS   2   9.031  -1.817  -0.018
    7    HA   CYS   2           HA       CYS   2  10.224  -4.290  -0.898
    8    HB2  CYS   2           2HB      CYS   2   7.690  -3.773   0.664
    9    HB3  CYS   2           1HB      CYS   2   8.397  -5.361   0.384
   10    H    ALA   3           H        ALA   3   7.622  -2.266  -1.969
   11    HA   ALA   3           HA       ALA   3   6.182  -4.249  -3.399
   12    HB1  ALA   3           1HB      ALA   3   4.739  -2.598  -3.727
   13    HB2  ALA   3           2HB      ALA   3   5.942  -1.641  -4.592
   14    HB3  ALA   3           3HB      ALA   3   5.835  -1.543  -2.834
   15    H    GLY   4           H        GLY   4   6.640  -5.195  -5.278
   16    HA2  GLY   4           2HA      GLY   4   9.068  -4.699  -6.654
   17    HA3  GLY   4           1HA      GLY   4   7.772  -5.754  -7.199
   18    H    LYS   5           H        LYS   5   5.724  -3.806  -7.292
   19    HA   LYS   5           HA       LYS   5   6.623  -1.736  -9.117
   20    HB2  LYS   5           2HB      LYS   5   4.795  -3.983  -9.950
   21    HB3  LYS   5           1HB      LYS   5   4.764  -2.423 -10.755
   22    HG2  LYS   5           2HG      LYS   5   7.131  -4.276 -10.569
   23    HG3  LYS   5           1HG      LYS   5   6.115  -4.016 -11.987
   24    HD2  LYS   5           2HD      LYS   5   7.814  -1.920 -10.629
   25    HD3  LYS   5           1HD      LYS   5   8.223  -2.759 -12.124
   26    HE2  LYS   5           2HE      LYS   5   5.812  -0.992 -11.711
   27    HE3  LYS   5           1HE      LYS   5   7.299  -0.513 -12.526
   28    HZ1  LYS   5           3HZ      LYS   5   5.105  -1.657 -13.689
   29    HZ2  LYS   5           1HZ      LYS   5   6.224  -2.923 -13.606
   30    HZ3  LYS   5           2HZ      LYS   5   6.633  -1.483 -14.392
   31    H    ALA   6           H        ALA   6   3.884  -3.342  -7.550
   32    HA   ALA   6           HA       ALA   6   2.894  -0.860  -6.527
   33    HB1  ALA   6           1HB      ALA   6   1.556  -2.158  -8.861
   34    HB2  ALA   6           2HB      ALA   6   1.801  -0.446  -8.515
   35    HB3  ALA   6           3HB      ALA   6   0.574  -1.358  -7.635
   36    H    CYS   7           H        CYS   7   0.703  -1.291  -5.405
   37    HA   CYS   7           HA       CYS   7   0.304  -4.042  -4.574
   38    HB2  CYS   7           2HB      CYS   7   2.044  -3.366  -3.026
   39    HB3  CYS   7           1HB      CYS   7   1.178  -1.882  -2.643
   40    H    ASN   8           H        ASN   8  -1.776  -4.373  -3.679
   41    HA   ASN   8           HA       ASN   8  -3.495  -1.987  -3.638
   42    HB2  ASN   8           2HB      ASN   8  -3.960  -4.672  -4.901
   43    HB3  ASN   8           1HB      ASN   8  -5.323  -3.712  -4.342
   44   HD21  ASN   8          1HD2      ASN   8  -6.252  -2.745  -5.968
   45   HD22  ASN   8          2HD2      ASN   8  -5.460  -1.998  -7.309
   46    H    LEU   9           H        LEU   9  -4.973  -1.870  -1.990
   47    HA   LEU   9           HA       LEU   9  -4.455  -3.455   0.336
   48    HB2  LEU   9           2HB      LEU   9  -6.604  -1.412  -0.235
   49    HB3  LEU   9           1HB      LEU   9  -6.306  -2.127   1.337
   50    HG   LEU   9           HG       LEU   9  -4.338  -0.422  -0.194
   51   HD11  LEU   9          1HD1      LEU   9  -5.886   1.123   0.497
   52   HD12  LEU   9          2HD1      LEU   9  -4.833   1.056   1.910
   53   HD13  LEU   9          3HD1      LEU   9  -6.363   0.177   1.909
   54   HD21  LEU   9          3HD2      LEU   9  -3.287  -2.104   1.259
   55   HD22  LEU   9          1HD2      LEU   9  -4.227  -1.497   2.622
   56   HD23  LEU   9          2HD2      LEU   9  -3.028  -0.462   1.848
   57    H    LEU  10           H        LEU  10  -5.164  -5.190  -1.607
   58    HA   LEU  10           HA       LEU  10  -7.960  -5.895  -1.348
   59    HB2  LEU  10           2HB      LEU  10  -7.100  -7.886  -2.804
   60    HB3  LEU  10           1HB      LEU  10  -7.283  -6.292  -3.501
   61    HG   LEU  10           HG       LEU  10  -4.818  -5.941  -3.155
   62   HD11  LEU  10          1HD1      LEU  10  -3.497  -7.452  -2.193
   63   HD12  LEU  10          2HD1      LEU  10  -4.213  -8.778  -3.109
   64   HD13  LEU  10          3HD1      LEU  10  -4.972  -8.227  -1.615
   65   HD21  LEU  10          3HD2      LEU  10  -5.952  -6.668  -5.291
   66   HD22  LEU  10          1HD2      LEU  10  -5.428  -8.307  -4.903
   67   HD23  LEU  10          2HD2      LEU  10  -4.232  -7.035  -5.157
   68    H    GLY  11           H        GLY  11  -6.739  -5.926   1.099
   69    HA2  GLY  11           2HA      GLY  11  -6.709  -7.257   2.982
   70    HA3  GLY  11           1HA      GLY  11  -7.290  -8.586   1.985
   71    H    LEU  12           H        LEU  12  -4.365  -6.704   1.483
   72    HA   LEU  12           HA       LEU  12  -2.636  -8.738   2.550
   73    HB2  LEU  12           2HB      LEU  12  -3.276  -9.670   0.347
   74    HB3  LEU  12           1HB      LEU  12  -2.692  -8.214  -0.429
   75    HG   LEU  12           HG       LEU  12  -0.733  -9.693   1.240
   76   HD11  LEU  12          1HD1      LEU  12  -0.423 -11.478  -0.182
   77   HD12  LEU  12          2HD1      LEU  12  -1.238 -10.684  -1.529
   78   HD13  LEU  12          3HD1      LEU  12  -2.181 -11.335  -0.189
   79   HD21  LEU  12          3HD2      LEU  12  -0.777  -7.775  -0.931
   80   HD22  LEU  12          1HD2      LEU  12   0.280  -9.141  -1.290
   81   HD23  LEU  12          2HD2      LEU  12   0.530  -8.193   0.176
   82    H    THR  13           H        THR  13  -0.496  -8.020   2.740
   83    HA   THR  13           HA       THR  13   0.252  -5.425   1.713
   84    HB   THR  13           HB       THR  13  -0.910  -4.752   3.751
   85    HG1  THR  13           1HG      THR  13   1.846  -4.635   4.410
   86   HG21  THR  13          3HG2      THR  13  -0.137  -5.506   5.965
   87   HG22  THR  13          1HG2      THR  13   0.955  -6.649   5.183
   88   HG23  THR  13          2HG2      THR  13  -0.790  -6.834   5.006
   89    H    CYS  14           H        CYS  14   2.516  -5.029   1.947
   90    HA   CYS  14           HA       CYS  14   4.088  -7.371   1.727
   91    HB2  CYS  14           2HB      CYS  14   4.939  -4.482   1.994
   92    HB3  CYS  14           1HB      CYS  14   5.978  -5.809   1.484
   93    H    ASP  15           H        ASP  15   6.343  -7.262   2.956
   94    HA   ASP  15           HA       ASP  15   6.002  -8.242   5.480
   95    HB2  ASP  15           2HB      ASP  15   8.402  -6.931   4.220
   96    HB3  ASP  15           1HB      ASP  15   8.463  -7.695   5.805
   97    H    ALA  16           H        ALA  16   6.442  -7.527   7.557
   98    HA   ALA  16           HA       ALA  16   5.232  -5.169   8.349
   99    HB1  ALA  16           1HB      ALA  16   7.220  -6.913   9.786
  100    HB2  ALA  16           2HB      ALA  16   5.462  -6.945   9.912
  101    HB3  ALA  16           3HB      ALA  16   6.368  -5.573  10.551
  102    H    GLY  17           H        GLY  17   5.814  -3.142   8.275
  103    HA2  GLY  17           2HA      GLY  17   7.511  -1.480   8.972
  104    HA3  GLY  17           1HA      GLY  17   8.683  -2.473   8.108
  105    H    CYS  18           H        CYS  18   7.442  -3.085   5.820
  106    HA   CYS  18           HA       CYS  18   7.125  -0.460   4.557
  107    HB2  CYS  18           2HB      CYS  18   7.516  -1.831   2.426
  108    HB3  CYS  18           1HB      CYS  18   8.887  -1.534   3.486
  109    H    PHE  19           H        PHE  19   5.016  -0.604   5.580
  110    HA   PHE  19           HA       PHE  19   2.981  -2.346   4.864
  111    HB2  PHE  19           2HB      PHE  19   1.454  -0.491   5.575
  112    HB3  PHE  19           1HB      PHE  19   2.711  -0.887   6.738
  113    HD1  PHE  19           1HD      PHE  19   1.669   1.582   4.184
  114    HD2  PHE  19           2HD      PHE  19   4.304   0.712   7.413
  115    HE1  PHE  19           1HE      PHE  19   2.369   3.939   4.244
  116    HE2  PHE  19           2HE      PHE  19   5.005   3.070   7.478
  117    HZ   PHE  19           HZ       PHE  19   4.038   4.685   5.893
  118    H    CYS  20           H        CYS  20   1.281  -2.239   3.428
  119    HA   CYS  20           HA       CYS  20   1.909  -1.231   0.828
  120    HB2  CYS  20           2HB      CYS  20   0.665  -3.346   1.209
  121    HB3  CYS  20           1HB      CYS  20  -0.666  -2.424   1.897
  122    H    ARG  21           H        ARG  21   2.053   1.011   1.039
  123    HA   ARG  21           HA       ARG  21  -0.021   2.567   2.236
  124    HB2  ARG  21           2HB      ARG  21   2.391   3.256   2.062
  125    HB3  ARG  21           1HB      ARG  21   2.134   3.507   0.341
  126    HG2  ARG  21           2HG      ARG  21   0.116   4.980   1.342
  127    HG3  ARG  21           1HG      ARG  21   1.299   5.137   2.640
  128    HD2  ARG  21           2HD      ARG  21   1.999   6.869   1.339
  129    HD3  ARG  21           1HD      ARG  21   2.910   5.579   0.555
  130    HE   ARG  21           HE       ARG  21   0.319   5.886  -0.605
  131   HH11  ARG  21          1HH1      ARG  21   3.549   7.247  -0.597
  132   HH12  ARG  21          2HH1      ARG  21   3.371   8.003  -2.144
  133   HH21  ARG  21          1HH2      ARG  21   0.072   6.901  -2.631
  134   HH22  ARG  21          2HH2      ARG  21   1.386   7.801  -3.311
  135    HA   PRO  22           HA       PRO  22  -2.658   2.667  -1.353
  136    HB2  PRO  22           2HB      PRO  22  -4.374   4.572  -0.456
  137    HB3  PRO  22           1HB      PRO  22  -4.443   2.886   0.068
  138    HG2  PRO  22           2HG      PRO  22  -3.338   5.265   1.477
  139    HG3  PRO  22           1HG      PRO  22  -4.184   3.858   2.142
  140    HD2  PRO  22           2HD      PRO  22  -1.455   4.220   2.228
  141    HD3  PRO  22           1HD      PRO  22  -2.254   2.642   2.311
  142    H    ASP  23           H        ASP  23  -3.186   4.177  -3.029
  143    HA   ASP  23           HA       ASP  23  -1.127   5.956  -3.670
  144    HB2  ASP  23           2HB      ASP  23  -2.806   4.895  -5.249
  145    HB3  ASP  23           1HB      ASP  23  -3.940   6.143  -4.743
  146    H    GLY  24           H        GLY  24  -4.442   6.706  -2.594
  147    HA2  GLY  24           2HA      GLY  24  -3.465   8.973  -1.110
  148    HA3  GLY  24           1HA      GLY  24  -4.449   9.396  -2.504
  149    H    VAL  25           H        VAL  25  -6.183  10.203  -1.434
  150    HA   VAL  25           HA       VAL  25  -7.412   8.755   0.723
  151    HB   VAL  25           HB       VAL  25  -9.145  10.568   0.631
  152   HG11  VAL  25          1HG1      VAL  25  -7.845  12.024   1.845
  153   HG12  VAL  25          2HG1      VAL  25  -6.466  11.872   0.755
  154   HG13  VAL  25          3HG1      VAL  25  -6.846  10.571   1.884
  155   HG21  VAL  25          3HG2      VAL  25  -8.933  11.131  -1.747
  156   HG22  VAL  25          1HG2      VAL  25  -7.307  11.749  -1.454
  157   HG23  VAL  25          2HG2      VAL  25  -8.699  12.547  -0.723
  158    H    GLY  26           H        GLY  26  -9.032   7.391   0.624
  159    HA2  GLY  26           2HA      GLY  26 -10.753   6.101  -0.163
  160    HA3  GLY  26           1HA      GLY  26 -11.109   7.408  -1.280
  161    H    ILE  27           H        ILE  27  -8.047   5.669  -1.197
  162    HA   ILE  27           HA       ILE  27  -8.809   4.359  -3.721
  163    HB   ILE  27           HB       ILE  27  -6.037   5.391  -3.163
  164   HG12  ILE  27          2HG1      ILE  27  -8.196   6.663  -4.863
  165   HG13  ILE  27          1HG1      ILE  27  -7.608   7.292  -3.329
  166   HG21  ILE  27          1HG2      ILE  27  -7.390   4.274  -5.603
  167   HG22  ILE  27          2HG2      ILE  27  -6.015   3.604  -4.723
  168   HG23  ILE  27          3HG2      ILE  27  -5.829   5.095  -5.648
  169   HD11  ILE  27          3HD1      ILE  27  -6.019   7.019  -5.869
  170   HD12  ILE  27          1HD1      ILE  27  -5.393   7.608  -4.329
  171   HD13  ILE  27          2HD1      ILE  27  -6.648   8.513  -5.176
  172    H    VAL  28           H        VAL  28  -8.341   2.271  -3.855
  173    HA   VAL  28           HA       VAL  28  -7.228   0.959  -1.516
  174    HB   VAL  28           HB       VAL  28  -7.949  -1.149  -2.606
  175   HG11  VAL  28          1HG1      VAL  28  -9.810   1.090  -2.013
  176   HG12  VAL  28          2HG1      VAL  28  -9.581  -0.445  -1.174
  177   HG13  VAL  28          3HG1      VAL  28 -10.481  -0.395  -2.690
  178   HG21  VAL  28          3HG2      VAL  28  -7.932   0.368  -4.932
  179   HG22  VAL  28          1HG2      VAL  28  -9.642   0.082  -4.607
  180   HG23  VAL  28          2HG2      VAL  28  -8.533  -1.282  -4.754
  181    H    ALA  29           H        ALA  29  -6.368   1.667  -4.793
  182    HA   ALA  29           HA       ALA  29  -4.189  -0.220  -4.890
  183    HB1  ALA  29           1HB      ALA  29  -3.674   0.829  -7.050
  184    HB2  ALA  29           2HB      ALA  29  -4.911   2.048  -6.748
  185    HB3  ALA  29           3HB      ALA  29  -5.369   0.356  -6.942
  186    H    GLY  30           H        GLY  30  -1.991   0.281  -4.764
  187    HA2  GLY  30           2HA      GLY  30  -1.031   2.940  -4.428
  188    HA3  GLY  30           1HA      GLY  30  -1.188   2.130  -2.876
  189    H    VAL  31           H        VAL  31   1.001   2.073  -2.458
  190    HA   VAL  31           HA       VAL  31   2.427  -0.061  -3.794
  191    HB   VAL  31           HB       VAL  31   3.011   1.837  -5.205
  192   HG11  VAL  31          1HG1      VAL  31   3.207   3.889  -4.402
  193   HG12  VAL  31          2HG1      VAL  31   4.641   3.403  -3.497
  194   HG13  VAL  31          3HG1      VAL  31   3.046   3.271  -2.757
  195   HG21  VAL  31          3HG2      VAL  31   4.713   0.059  -4.516
  196   HG22  VAL  31          1HG2      VAL  31   5.425   1.316  -3.505
  197   HG23  VAL  31          2HG2      VAL  31   5.327   1.541  -5.251
  198    H    CYS  32           H        CYS  32   3.811  -1.100  -2.436
  199    HA   CYS  32           HA       CYS  32   3.745  -0.494   0.346
  200    HB2  CYS  32           2HB      CYS  32   5.416  -2.431  -1.264
  201    HB3  CYS  32           1HB      CYS  32   5.518  -2.307   0.484
  202    H    VAL  33           H        VAL  33   5.199   0.601   1.579
  203    HA   VAL  33           HA       VAL  33   7.071   2.292   0.250
  204    HB   VAL  33           HB       VAL  33   7.683   3.074   2.524
  205   HG11  VAL  33          1HG1      VAL  33   4.934   3.045   1.448
  206   HG12  VAL  33          2HG1      VAL  33   6.006   4.402   1.793
  207   HG13  VAL  33          3HG1      VAL  33   5.124   3.618   3.105
  208   HG21  VAL  33          3HG2      VAL  33   6.909   2.144   4.469
  209   HG22  VAL  33          1HG2      VAL  33   7.067   0.693   3.480
  210   HG23  VAL  33          2HG2      VAL  33   5.484   1.443   3.700
  Start of MODEL   15
    1    H1   GLY   1           1HT      GLY   1  10.512   1.493   1.756
    2    H2   GLY   1           2HT      GLY   1  12.126   2.011   1.802
    3    H3   GLY   1           3HT      GLY   1  11.760   0.373   2.007
    4    HA2  GLY   1           1HA      GLY   1  10.783   1.540  -0.450
    5    HA3  GLY   1           2HA      GLY   1  12.536   1.451  -0.313
    6    H    CYS   2           H        CYS   2   9.792  -0.633   0.631
    7    HA   CYS   2           HA       CYS   2  11.302  -2.930  -0.421
    8    HB2  CYS   2           2HB      CYS   2   8.781  -3.188   1.160
    9    HB3  CYS   2           1HB      CYS   2  10.198  -4.231   1.125
   10    H    ALA   3           H        ALA   3   9.746  -0.959  -1.978
   11    HA   ALA   3           HA       ALA   3   7.357  -2.206  -2.890
   12    HB1  ALA   3           1HB      ALA   3   7.129  -0.410  -4.325
   13    HB2  ALA   3           2HB      ALA   3   8.870  -0.212  -4.525
   14    HB3  ALA   3           3HB      ALA   3   8.093   0.286  -3.022
   15    H    GLY   4           H        GLY   4   7.566  -4.187  -3.751
   16    HA2  GLY   4           2HA      GLY   4   9.800  -4.973  -5.358
   17    HA3  GLY   4           1HA      GLY   4   8.335  -5.905  -5.090
   18    H    LYS   5           H        LYS   5   6.466  -4.067  -6.034
   19    HA   LYS   5           HA       LYS   5   7.142  -3.355  -8.769
   20    HB2  LYS   5           2HB      LYS   5   4.963  -5.377  -8.158
   21    HB3  LYS   5           1HB      LYS   5   5.290  -4.676  -9.733
   22    HG2  LYS   5           2HG      LYS   5   7.117  -5.993 -10.093
   23    HG3  LYS   5           1HG      LYS   5   7.481  -6.152  -8.373
   24    HD2  LYS   5           2HD      LYS   5   5.160  -7.460  -9.796
   25    HD3  LYS   5           1HD      LYS   5   6.668  -8.263  -9.350
   26    HE2  LYS   5           2HE      LYS   5   6.224  -7.806  -6.994
   27    HE3  LYS   5           1HE      LYS   5   4.734  -6.971  -7.427
   28    HZ1  LYS   5           3HZ      LYS   5   4.332  -9.237  -6.668
   29    HZ2  LYS   5           1HZ      LYS   5   5.292  -9.846  -7.926
   30    HZ3  LYS   5           2HZ      LYS   5   3.849  -9.037  -8.280
   31    H    ALA   6           H        ALA   6   4.341  -4.102  -6.778
   32    HA   ALA   6           HA       ALA   6   3.501  -1.486  -6.230
   33    HB1  ALA   6           1HB      ALA   6   1.297  -1.857  -7.671
   34    HB2  ALA   6           2HB      ALA   6   2.414  -2.742  -8.711
   35    HB3  ALA   6           3HB      ALA   6   2.708  -1.042  -8.347
   36    H    CYS   7           H        CYS   7   1.209  -1.621  -5.228
   37    HA   CYS   7           HA       CYS   7   0.423  -4.330  -4.543
   38    HB2  CYS   7           2HB      CYS   7   2.189  -3.766  -2.901
   39    HB3  CYS   7           1HB      CYS   7   1.242  -2.371  -2.393
   40    H    ASN   8           H        ASN   8  -1.731  -4.415  -4.606
   41    HA   ASN   8           HA       ASN   8  -3.261  -1.947  -4.581
   42    HB2  ASN   8           2HB      ASN   8  -3.528  -4.261  -5.996
   43    HB3  ASN   8           1HB      ASN   8  -4.690  -4.526  -4.700
   44   HD21  ASN   8          1HD2      ASN   8  -6.626  -3.588  -4.839
   45   HD22  ASN   8          2HD2      ASN   8  -7.081  -2.430  -6.034
   46    H    LEU   9           H        LEU   9  -1.983  -3.264  -2.139
   47    HA   LEU   9           HA       LEU   9  -2.381  -3.341   0.089
   48    HB2  LEU   9           2HB      LEU   9  -3.795  -1.353  -0.252
   49    HB3  LEU   9           1HB      LEU   9  -5.163  -2.391  -0.603
   50    HG   LEU   9           HG       LEU   9  -5.028  -3.295   1.707
   51   HD11  LEU   9          1HD1      LEU   9  -3.366  -2.828   3.115
   52   HD12  LEU   9          2HD1      LEU   9  -3.423  -1.105   2.742
   53   HD13  LEU   9          3HD1      LEU   9  -2.501  -2.200   1.712
   54   HD21  LEU   9          3HD2      LEU   9  -6.380  -1.231   0.930
   55   HD22  LEU   9          1HD2      LEU   9  -5.210  -0.313   1.878
   56   HD23  LEU   9          2HD2      LEU   9  -6.207  -1.541   2.657
   57    H    LEU  10           H        LEU  10  -5.071  -4.584  -1.828
   58    HA   LEU  10           HA       LEU  10  -5.744  -6.659   0.042
   59    HB2  LEU  10           2HB      LEU  10  -6.563  -6.350  -2.845
   60    HB3  LEU  10           1HB      LEU  10  -7.356  -7.338  -1.632
   61    HG   LEU  10           HG       LEU  10  -7.208  -4.323  -1.590
   62   HD11  LEU  10          1HD1      LEU  10  -9.462  -6.188  -2.313
   63   HD12  LEU  10          2HD1      LEU  10  -8.622  -5.073  -3.392
   64   HD13  LEU  10          3HD1      LEU  10  -9.623  -4.448  -2.080
   65   HD21  LEU  10          3HD2      LEU  10  -9.261  -5.235   0.059
   66   HD22  LEU  10          1HD2      LEU  10  -7.725  -4.530   0.564
   67   HD23  LEU  10          2HD2      LEU  10  -7.887  -6.281   0.420
   68    H    GLY  11           H        GLY  11  -3.091  -6.963  -0.432
   69    HA2  GLY  11           2HA      GLY  11  -2.820  -9.630  -1.172
   70    HA3  GLY  11           1HA      GLY  11  -2.439  -8.672  -2.597
   71    H    LEU  12           H        LEU  12  -0.795 -10.382  -0.694
   72    HA   LEU  12           HA       LEU  12   1.109  -8.357   0.213
   73    HB2  LEU  12           2HB      LEU  12   0.248 -10.224   1.739
   74    HB3  LEU  12           1HB      LEU  12   1.203 -11.321   0.766
   75    HG   LEU  12           HG       LEU  12   2.225 -10.551   2.958
   76   HD11  LEU  12          1HD1      LEU  12   3.753 -10.117   0.399
   77   HD12  LEU  12          2HD1      LEU  12   3.591 -11.625   1.298
   78   HD13  LEU  12          3HD1      LEU  12   4.483 -10.274   1.997
   79   HD21  LEU  12          3HD2      LEU  12   1.559  -8.047   2.051
   80   HD22  LEU  12          1HD2      LEU  12   3.296  -8.127   1.755
   81   HD23  LEU  12          2HD2      LEU  12   2.665  -8.407   3.378
   82    H    THR  13           H        THR  13   2.807  -7.938  -1.000
   83    HA   THR  13           HA       THR  13   4.159 -10.022  -2.447
   84    HB   THR  13           HB       THR  13   2.457  -9.465  -4.094
   85    HG1  THR  13           1HG      THR  13   5.114  -8.654  -4.556
   86   HG21  THR  13          3HG2      THR  13   1.584  -7.410  -4.073
   87   HG22  THR  13          1HG2      THR  13   3.021  -6.881  -4.949
   88   HG23  THR  13          2HG2      THR  13   2.964  -6.757  -3.191
   89    H    CYS  14           H        CYS  14   4.674  -8.177  -0.293
   90    HA   CYS  14           HA       CYS  14   7.119  -6.964  -1.320
   91    HB2  CYS  14           2HB      CYS  14   5.190  -5.453   0.461
   92    HB3  CYS  14           1HB      CYS  14   6.715  -4.857  -0.182
   93    H    ASP  15           H        ASP  15   8.278  -5.991   0.833
   94    HA   ASP  15           HA       ASP  15   8.705  -8.294   2.467
   95    HB2  ASP  15           2HB      ASP  15  10.394  -6.411   1.757
   96    HB3  ASP  15           1HB      ASP  15   9.792  -5.613   3.206
   97    H    ALA  16           H        ALA  16   8.897  -8.007   4.866
   98    HA   ALA  16           HA       ALA  16   6.294  -7.400   5.914
   99    HB1  ALA  16           1HB      ALA  16   7.097  -9.208   7.008
  100    HB2  ALA  16           2HB      ALA  16   7.723  -7.973   8.101
  101    HB3  ALA  16           3HB      ALA  16   8.773  -8.678   6.871
  102    H    GLY  17           H        GLY  17   5.677  -5.761   7.261
  103    HA2  GLY  17           2HA      GLY  17   5.952  -3.914   8.680
  104    HA3  GLY  17           1HA      GLY  17   7.664  -3.895   8.284
  105    H    CYS  18           H        CYS  18   7.071  -4.010   5.390
  106    HA   CYS  18           HA       CYS  18   6.720  -1.156   5.019
  107    HB2  CYS  18           2HB      CYS  18   7.132  -3.109   2.782
  108    HB3  CYS  18           1HB      CYS  18   7.722  -1.456   2.940
  109    H    PHE  19           H        PHE  19   4.537  -1.021   5.574
  110    HA   PHE  19           HA       PHE  19   2.439  -2.487   4.508
  111    HB2  PHE  19           2HB      PHE  19   0.977  -0.656   5.232
  112    HB3  PHE  19           1HB      PHE  19   2.169  -1.053   6.461
  113    HD1  PHE  19           1HD      PHE  19   1.196   1.460   3.913
  114    HD2  PHE  19           2HD      PHE  19   3.763   0.541   7.193
  115    HE1  PHE  19           1HE      PHE  19   1.862   3.818   4.047
  116    HE2  PHE  19           2HE      PHE  19   4.431   2.904   7.327
  117    HZ   PHE  19           HZ       PHE  19   3.481   4.545   5.757
  118    H    CYS  20           H        CYS  20   1.022  -2.228   2.859
  119    HA   CYS  20           HA       CYS  20   2.031  -0.996   0.477
  120    HB2  CYS  20           2HB      CYS  20  -0.618  -2.336   1.070
  121    HB3  CYS  20           1HB      CYS  20  -0.086  -1.827  -0.529
  122    H    ARG  21           H        ARG  21   2.112   1.203   0.905
  123    HA   ARG  21           HA       ARG  21  -0.053   2.649   2.013
  124    HB2  ARG  21           2HB      ARG  21   2.292   3.432   2.075
  125    HB3  ARG  21           1HB      ARG  21   2.238   3.680   0.334
  126    HG2  ARG  21           2HG      ARG  21   0.257   5.217   0.803
  127    HG3  ARG  21           1HG      ARG  21   0.776   5.150   2.486
  128    HD2  ARG  21           2HD      ARG  21   2.765   6.264   2.050
  129    HD3  ARG  21           1HD      ARG  21   2.740   5.843   0.337
  130    HE   ARG  21           HE       ARG  21   1.514   8.119   1.580
  131   HH11  ARG  21          1HH1      ARG  21   1.475   6.009  -1.212
  132   HH12  ARG  21          2HH1      ARG  21   0.463   7.053  -2.155
  133   HH21  ARG  21          1HH2      ARG  21   0.192   9.526   0.304
  134   HH22  ARG  21          2HH2      ARG  21  -0.268   9.042  -1.299
  135    HA   PRO  22           HA       PRO  22  -2.594   2.779  -1.657
  136    HB2  PRO  22           2HB      PRO  22  -4.448   4.488  -0.627
  137    HB3  PRO  22           1HB      PRO  22  -4.421   2.758  -0.278
  138    HG2  PRO  22           2HG      PRO  22  -3.424   5.041   1.372
  139    HG3  PRO  22           1HG      PRO  22  -4.286   3.580   1.886
  140    HD2  PRO  22           2HD      PRO  22  -1.603   3.875   2.161
  141    HD3  PRO  22           1HD      PRO  22  -2.374   2.300   1.885
  142    H    ASP  23           H        ASP  23  -3.162   4.357  -3.225
  143    HA   ASP  23           HA       ASP  23  -1.261   6.298  -3.753
  144    HB2  ASP  23           2HB      ASP  23  -2.784   5.384  -5.450
  145    HB3  ASP  23           1HB      ASP  23  -4.134   6.232  -4.704
  146    H    GLY  24           H        GLY  24  -4.589   6.906  -2.606
  147    HA2  GLY  24           2HA      GLY  24  -3.639   9.000  -0.883
  148    HA3  GLY  24           1HA      GLY  24  -4.552   9.584  -2.264
  149    H    VAL  25           H        VAL  25  -6.348  10.307  -1.284
  150    HA   VAL  25           HA       VAL  25  -7.673   8.800   0.762
  151    HB   VAL  25           HB       VAL  25  -9.398  10.606   0.653
  152   HG11  VAL  25          1HG1      VAL  25  -6.827  10.655   1.691
  153   HG12  VAL  25          2HG1      VAL  25  -8.166  11.709   2.145
  154   HG13  VAL  25          3HG1      VAL  25  -7.014  12.227   0.915
  155   HG21  VAL  25          3HG2      VAL  25  -7.514  11.988  -1.248
  156   HG22  VAL  25          1HG2      VAL  25  -9.106  12.524  -0.711
  157   HG23  VAL  25          2HG2      VAL  25  -8.959  11.130  -1.781
  158    H    GLY  26           H        GLY  26  -9.378   7.538   0.618
  159    HA2  GLY  26           2HA      GLY  26 -11.108   6.307  -0.248
  160    HA3  GLY  26           1HA      GLY  26 -11.290   7.558  -1.466
  161    H    ILE  27           H        ILE  27  -8.300   5.807  -1.031
  162    HA   ILE  27           HA       ILE  27  -8.890   4.184  -3.407
  163    HB   ILE  27           HB       ILE  27  -6.223   5.536  -3.017
  164   HG12  ILE  27          2HG1      ILE  27  -8.489   6.427  -4.818
  165   HG13  ILE  27          1HG1      ILE  27  -7.956   7.264  -3.363
  166   HG21  ILE  27          1HG2      ILE  27  -5.852   4.912  -5.338
  167   HG22  ILE  27          2HG2      ILE  27  -7.469   4.213  -5.422
  168   HG23  ILE  27          3HG2      ILE  27  -6.251   3.494  -4.368
  169   HD11  ILE  27          3HD1      ILE  27  -7.171   8.070  -5.702
  170   HD12  ILE  27          1HD1      ILE  27  -6.012   6.749  -5.561
  171   HD13  ILE  27          2HD1      ILE  27  -6.034   8.035  -4.354
  172    H    VAL  28           H        VAL  28  -8.114   2.151  -3.299
  173    HA   VAL  28           HA       VAL  28  -6.721   1.386  -0.837
  174    HB   VAL  28           HB       VAL  28  -7.386  -0.943  -1.402
  175   HG11  VAL  28          1HG1      VAL  28  -9.638  -0.730  -0.695
  176   HG12  VAL  28          2HG1      VAL  28  -9.776   0.886  -1.387
  177   HG13  VAL  28          3HG1      VAL  28  -8.757   0.615   0.026
  178   HG21  VAL  28          3HG2      VAL  28  -9.445  -0.205  -3.315
  179   HG22  VAL  28          1HG2      VAL  28  -8.286  -1.534  -3.358
  180   HG23  VAL  28          2HG2      VAL  28  -7.817   0.063  -3.941
  181    H    ALA  29           H        ALA  29  -6.432   1.443  -4.286
  182    HA   ALA  29           HA       ALA  29  -4.204  -0.308  -4.513
  183    HB1  ALA  29           1HB      ALA  29  -3.985   0.973  -6.767
  184    HB2  ALA  29           2HB      ALA  29  -5.545   1.662  -6.316
  185    HB3  ALA  29           3HB      ALA  29  -5.371  -0.085  -6.493
  186    H    GLY  30           H        GLY  30  -2.034   0.144  -4.571
  187    HA2  GLY  30           2HA      GLY  30  -0.965   2.762  -4.744
  188    HA3  GLY  30           1HA      GLY  30  -1.043   2.260  -3.062
  189    H    VAL  31           H        VAL  31   1.080   2.016  -2.626
  190    HA   VAL  31           HA       VAL  31   2.375  -0.296  -3.791
  191    HB   VAL  31           HB       VAL  31   3.028   1.553  -5.307
  192   HG11  VAL  31          1HG1      VAL  31   3.619   3.559  -4.583
  193   HG12  VAL  31          2HG1      VAL  31   4.918   2.873  -3.608
  194   HG13  VAL  31          3HG1      VAL  31   3.294   3.021  -2.935
  195   HG21  VAL  31          3HG2      VAL  31   5.082   0.155  -3.647
  196   HG22  VAL  31          1HG2      VAL  31   5.569   1.253  -4.937
  197   HG23  VAL  31          2HG2      VAL  31   4.581  -0.159  -5.308
  198    H    CYS  32           H        CYS  32   3.871  -1.227  -2.422
  199    HA   CYS  32           HA       CYS  32   3.672  -0.586   0.325
  200    HB2  CYS  32           2HB      CYS  32   5.704  -2.246   0.408
  201    HB3  CYS  32           1HB      CYS  32   4.100  -2.828  -0.015
  202    H    VAL  33           H        VAL  33   5.037   0.462   1.693
  203    HA   VAL  33           HA       VAL  33   6.772   2.417   0.546
  204    HB   VAL  33           HB       VAL  33   7.206   3.120   2.869
  205   HG11  VAL  33          1HG1      VAL  33   5.305   4.057   1.753
  206   HG12  VAL  33          2HG1      VAL  33   4.855   3.718   3.424
  207   HG13  VAL  33          3HG1      VAL  33   4.326   2.640   2.132
  208   HG21  VAL  33          3HG2      VAL  33   5.201   1.214   3.933
  209   HG22  VAL  33          1HG2      VAL  33   6.597   1.950   4.721
  210   HG23  VAL  33          2HG2      VAL  33   6.821   0.591   3.620
  Start of MODEL   16
    1    H1   GLY   1           1HT      GLY   1  11.743   0.667   2.480
    2    H2   GLY   1           2HT      GLY   1  10.772  -0.660   2.082
    3    H3   GLY   1           3HT      GLY   1  10.290   0.905   1.637
    4    HA2  GLY   1           1HA      GLY   1  11.567   0.951  -0.174
    5    HA3  GLY   1           2HA      GLY   1  12.896   0.149   0.653
    6    H    CYS   2           H        CYS   2   9.545  -0.915   0.252
    7    HA   CYS   2           HA       CYS   2  10.564  -3.287  -1.179
    8    HB2  CYS   2           2HB      CYS   2   8.040  -3.070   0.472
    9    HB3  CYS   2           1HB      CYS   2   8.758  -4.532  -0.191
   10    H    ALA   3           H        ALA   3   9.884  -0.781  -2.369
   11    HA   ALA   3           HA       ALA   3   7.275  -0.952  -3.533
   12    HB1  ALA   3           1HB      ALA   3   9.628   0.804  -4.183
   13    HB2  ALA   3           2HB      ALA   3   8.231   1.215  -3.188
   14    HB3  ALA   3           3HB      ALA   3   8.032   0.946  -4.919
   15    H    GLY   4           H        GLY   4   7.352  -3.046  -4.438
   16    HA2  GLY   4           2HA      GLY   4   9.221  -3.844  -6.415
   17    HA3  GLY   4           1HA      GLY   4   7.648  -4.579  -6.134
   18    H    LYS   5           H        LYS   5   6.005  -2.401  -6.609
   19    HA   LYS   5           HA       LYS   5   6.478  -0.944  -8.933
   20    HB2  LYS   5           2HB      LYS   5   6.527  -3.187 -10.018
   21    HB3  LYS   5           1HB      LYS   5   4.883  -3.464  -9.460
   22    HG2  LYS   5           2HG      LYS   5   4.142  -1.509 -10.769
   23    HG3  LYS   5           1HG      LYS   5   5.788  -1.328 -11.379
   24    HD2  LYS   5           2HD      LYS   5   5.659  -3.568 -12.368
   25    HD3  LYS   5           1HD      LYS   5   4.008  -3.735 -11.764
   26    HE2  LYS   5           2HE      LYS   5   4.993  -1.690 -13.751
   27    HE3  LYS   5           1HE      LYS   5   3.996  -3.099 -14.109
   28    HZ1  LYS   5           3HZ      LYS   5   2.172  -2.175 -13.028
   29    HZ2  LYS   5           1HZ      LYS   5   2.843  -0.857 -13.850
   30    HZ3  LYS   5           2HZ      LYS   5   3.103  -1.038 -12.188
   31    H    ALA   6           H        ALA   6   4.013  -2.832  -7.234
   32    HA   ALA   6           HA       ALA   6   2.499  -0.511  -6.549
   33    HB1  ALA   6           1HB      ALA   6   1.634  -2.191  -8.856
   34    HB2  ALA   6           2HB      ALA   6   1.481  -0.452  -8.607
   35    HB3  ALA   6           3HB      ALA   6   0.404  -1.562  -7.758
   36    H    CYS   7           H        CYS   7   0.718  -1.032  -5.139
   37    HA   CYS   7           HA       CYS   7   0.372  -3.805  -4.357
   38    HB2  CYS   7           2HB      CYS   7   2.315  -3.154  -3.015
   39    HB3  CYS   7           1HB      CYS   7   1.449  -1.744  -2.415
   40    H    ASN   8           H        ASN   8  -1.711  -4.120  -3.914
   41    HA   ASN   8           HA       ASN   8  -3.443  -1.812  -3.569
   42    HB2  ASN   8           2HB      ASN   8  -3.950  -4.736  -4.078
   43    HB3  ASN   8           1HB      ASN   8  -5.254  -3.655  -3.601
   44   HD21  ASN   8          1HD2      ASN   8  -6.406  -3.050  -5.274
   45   HD22  ASN   8          2HD2      ASN   8  -5.808  -2.697  -6.856
   46    H    LEU   9           H        LEU   9  -4.581  -1.348  -1.745
   47    HA   LEU   9           HA       LEU   9  -3.564  -2.310   0.736
   48    HB2  LEU   9           2HB      LEU   9  -4.379   0.012   0.294
   49    HB3  LEU   9           1HB      LEU   9  -6.014  -0.617   0.240
   50    HG   LEU   9           HG       LEU   9  -5.796  -1.338   2.595
   51   HD11  LEU   9          1HD1      LEU   9  -3.588  -1.714   3.072
   52   HD12  LEU   9          2HD1      LEU   9  -3.807  -0.116   3.786
   53   HD13  LEU   9          3HD1      LEU   9  -3.042  -0.278   2.206
   54   HD21  LEU   9          3HD2      LEU   9  -5.771   0.955   3.570
   55   HD22  LEU   9          1HD2      LEU   9  -6.829   0.777   2.170
   56   HD23  LEU   9          2HD2      LEU   9  -5.260   1.565   1.996
   57    H    LEU  10           H        LEU  10  -4.292  -4.566  -0.293
   58    HA   LEU  10           HA       LEU  10  -6.609  -5.408   1.287
   59    HB2  LEU  10           2HB      LEU  10  -6.168  -6.083  -1.629
   60    HB3  LEU  10           1HB      LEU  10  -7.335  -6.885  -0.598
   61    HG   LEU  10           HG       LEU  10  -7.400  -3.935  -1.241
   62   HD11  LEU  10          1HD1      LEU  10  -9.397  -4.635  -2.637
   63   HD12  LEU  10          2HD1      LEU  10  -8.775  -6.282  -2.520
   64   HD13  LEU  10          3HD1      LEU  10  -7.806  -5.025  -3.289
   65   HD21  LEU  10          3HD2      LEU  10  -8.520  -4.363   0.813
   66   HD22  LEU  10          1HD2      LEU  10  -9.309  -5.798   0.158
   67   HD23  LEU  10          2HD2      LEU  10  -9.762  -4.198  -0.428
   68    H    GLY  11           H        GLY  11  -3.737  -5.565   1.611
   69    HA2  GLY  11           2HA      GLY  11  -3.378  -8.065   2.635
   70    HA3  GLY  11           1HA      GLY  11  -2.887  -8.225   0.955
   71    H    LEU  12           H        LEU  12  -0.736  -8.475   1.183
   72    HA   LEU  12           HA       LEU  12   0.848  -6.160   1.746
   73    HB2  LEU  12           2HB      LEU  12   0.262  -7.481   3.996
   74    HB3  LEU  12           1HB      LEU  12   1.583  -8.495   3.458
   75    HG   LEU  12           HG       LEU  12   2.276  -6.769   5.090
   76   HD11  LEU  12          1HD1      LEU  12   4.269  -6.933   4.152
   77   HD12  LEU  12          2HD1      LEU  12   3.827  -5.701   2.970
   78   HD13  LEU  12          3HD1      LEU  12   3.515  -7.403   2.628
   79   HD21  LEU  12          3HD2      LEU  12   0.723  -5.084   3.416
   80   HD22  LEU  12          1HD2      LEU  12   2.387  -4.496   3.408
   81   HD23  LEU  12          2HD2      LEU  12   1.529  -4.693   4.936
   82    H    THR  13           H        THR  13   1.089  -6.834  -0.536
   83    HA   THR  13           HA       THR  13   2.542  -9.259  -1.074
   84    HB   THR  13           HB       THR  13   0.884  -8.545  -2.678
   85    HG1  THR  13           1HG      THR  13   3.554  -8.355  -3.649
   86   HG21  THR  13          3HG2      THR  13   0.803  -6.200  -2.498
   87   HG22  THR  13          1HG2      THR  13   1.410  -6.516  -4.125
   88   HG23  THR  13          2HG2      THR  13   2.524  -6.031  -2.846
   89    H    CYS  14           H        CYS  14   4.124  -8.035   0.638
   90    HA   CYS  14           HA       CYS  14   6.508  -7.630  -0.869
   91    HB2  CYS  14           2HB      CYS  14   6.896  -5.378   0.513
   92    HB3  CYS  14           1HB      CYS  14   6.215  -5.388  -1.104
   93    H    ASP  15           H        ASP  15   8.253  -6.730   0.868
   94    HA   ASP  15           HA       ASP  15   8.639  -8.854   2.636
   95    HB2  ASP  15           2HB      ASP  15   9.922  -6.117   2.607
   96    HB3  ASP  15           1HB      ASP  15  10.483  -7.466   3.589
   97    H    ALA  16           H        ALA  16   8.523  -9.054   4.834
   98    HA   ALA  16           HA       ALA  16   6.337  -7.793   6.125
   99    HB1  ALA  16           1HB      ALA  16   8.117  -9.143   7.954
  100    HB2  ALA  16           2HB      ALA  16   7.833 -10.106   6.505
  101    HB3  ALA  16           3HB      ALA  16   6.470  -9.553   7.476
  102    H    GLY  17           H        GLY  17   7.176  -5.578   5.773
  103    HA2  GLY  17           2HA      GLY  17   8.077  -4.448   8.208
  104    HA3  GLY  17           1HA      GLY  17   9.394  -4.472   7.037
  105    H    CYS  18           H        CYS  18   7.819  -4.127   4.726
  106    HA   CYS  18           HA       CYS  18   7.309  -1.279   4.909
  107    HB2  CYS  18           2HB      CYS  18   7.281  -3.109   2.497
  108    HB3  CYS  18           1HB      CYS  18   7.245  -1.351   2.471
  109    H    PHE  19           H        PHE  19   5.334  -0.544   5.194
  110    HA   PHE  19           HA       PHE  19   3.074  -2.311   5.087
  111    HB2  PHE  19           2HB      PHE  19   1.763  -0.389   5.878
  112    HB3  PHE  19           1HB      PHE  19   3.197  -0.634   6.863
  113    HD1  PHE  19           1HD      PHE  19   1.639   1.528   4.304
  114    HD2  PHE  19           2HD      PHE  19   4.888   1.022   7.012
  115    HE1  PHE  19           1HE      PHE  19   2.266   3.881   3.979
  116    HE2  PHE  19           2HE      PHE  19   5.522   3.375   6.691
  117    HZ   PHE  19           HZ       PHE  19   4.211   4.810   5.177
  118    H    CYS  20           H        CYS  20   1.416  -2.322   3.636
  119    HA   CYS  20           HA       CYS  20   1.995  -1.359   1.012
  120    HB2  CYS  20           2HB      CYS  20   0.741  -3.476   1.496
  121    HB3  CYS  20           1HB      CYS  20  -0.603  -2.498   2.075
  122    H    ARG  21           H        ARG  21   1.923   0.775   0.691
  123    HA   ARG  21           HA       ARG  21  -0.054   2.392   2.073
  124    HB2  ARG  21           2HB      ARG  21   2.342   3.069   1.933
  125    HB3  ARG  21           1HB      ARG  21   2.148   3.253   0.196
  126    HG2  ARG  21           2HG      ARG  21   0.241   4.879   0.827
  127    HG3  ARG  21           1HG      ARG  21   1.014   4.901   2.412
  128    HD2  ARG  21           2HD      ARG  21   1.904   6.729   1.161
  129    HD3  ARG  21           1HD      ARG  21   3.161   5.496   1.256
  130    HE   ARG  21           HE       ARG  21   2.996   5.167  -1.022
  131   HH11  ARG  21          1HH1      ARG  21   0.490   7.369   0.037
  132   HH12  ARG  21          2HH1      ARG  21  -0.108   7.677  -1.564
  133   HH21  ARG  21          1HH2      ARG  21   2.228   5.611  -3.156
  134   HH22  ARG  21          2HH2      ARG  21   0.893   6.698  -3.374
  135    HA   PRO  22           HA       PRO  22  -2.698   2.416  -1.533
  136    HB2  PRO  22           2HB      PRO  22  -4.437   4.291  -0.590
  137    HB3  PRO  22           1HB      PRO  22  -4.507   2.589  -0.128
  138    HG2  PRO  22           2HG      PRO  22  -3.402   4.918   1.370
  139    HG3  PRO  22           1HG      PRO  22  -4.271   3.502   1.982
  140    HD2  PRO  22           2HD      PRO  22  -1.552   3.808   2.139
  141    HD3  PRO  22           1HD      PRO  22  -2.364   2.233   2.090
  142    H    ASP  23           H        ASP  23  -3.203   3.994  -3.180
  143    HA   ASP  23           HA       ASP  23  -1.135   5.759  -3.752
  144    HB2  ASP  23           2HB      ASP  23  -2.875   4.841  -5.352
  145    HB3  ASP  23           1HB      ASP  23  -3.954   6.105  -4.766
  146    H    GLY  24           H        GLY  24  -4.409   6.598  -2.612
  147    HA2  GLY  24           2HA      GLY  24  -3.326   8.720  -1.000
  148    HA3  GLY  24           1HA      GLY  24  -4.265   9.281  -2.376
  149    H    VAL  25           H        VAL  25  -5.978  10.118  -1.304
  150    HA   VAL  25           HA       VAL  25  -7.311   8.630   0.767
  151    HB   VAL  25           HB       VAL  25  -8.939  10.537   0.758
  152   HG11  VAL  25          1HG1      VAL  25  -7.103  12.245   1.469
  153   HG12  VAL  25          2HG1      VAL  25  -6.009  10.883   1.218
  154   HG13  VAL  25          3HG1      VAL  25  -7.323  10.756   2.388
  155   HG21  VAL  25          3HG2      VAL  25  -8.624  11.191  -1.607
  156   HG22  VAL  25          1HG2      VAL  25  -7.009  11.773  -1.205
  157   HG23  VAL  25          2HG2      VAL  25  -8.426  12.543  -0.492
  158    H    GLY  26           H        GLY  26  -9.024   7.390   0.587
  159    HA2  GLY  26           2HA      GLY  26 -10.819   6.264  -0.286
  160    HA3  GLY  26           1HA      GLY  26 -11.044   7.625  -1.371
  161    H    ILE  27           H        ILE  27  -8.108   5.693  -1.263
  162    HA   ILE  27           HA       ILE  27  -8.893   4.459  -3.816
  163    HB   ILE  27           HB       ILE  27  -6.085   5.384  -3.243
  164   HG12  ILE  27          2HG1      ILE  27  -8.185   6.770  -4.928
  165   HG13  ILE  27          1HG1      ILE  27  -7.591   7.344  -3.373
  166   HG21  ILE  27          1HG2      ILE  27  -5.659   4.039  -4.968
  167   HG22  ILE  27          2HG2      ILE  27  -6.485   5.231  -5.972
  168   HG23  ILE  27          3HG2      ILE  27  -7.374   3.847  -5.334
  169   HD11  ILE  27          3HD1      ILE  27  -5.572   8.004  -4.241
  170   HD12  ILE  27          1HD1      ILE  27  -6.664   8.338  -5.585
  171   HD13  ILE  27          2HD1      ILE  27  -5.667   6.884  -5.600
  172    H    VAL  28           H        VAL  28  -8.467   2.352  -3.977
  173    HA   VAL  28           HA       VAL  28  -7.417   1.000  -1.632
  174    HB   VAL  28           HB       VAL  28  -8.167  -1.089  -2.764
  175   HG11  VAL  28          1HG1      VAL  28  -9.972  -0.683  -1.537
  176   HG12  VAL  28          2HG1      VAL  28 -10.685   0.128  -2.931
  177   HG13  VAL  28          3HG1      VAL  28  -9.775   1.058  -1.741
  178   HG21  VAL  28          3HG2      VAL  28  -9.843   0.259  -4.721
  179   HG22  VAL  28          1HG2      VAL  28  -8.821  -1.167  -4.900
  180   HG23  VAL  28          2HG2      VAL  28  -8.122   0.445  -5.062
  181    H    ALA  29           H        ALA  29  -6.577   1.537  -4.983
  182    HA   ALA  29           HA       ALA  29  -4.380  -0.326  -4.949
  183    HB1  ALA  29           1HB      ALA  29  -5.396   1.678  -6.940
  184    HB2  ALA  29           2HB      ALA  29  -5.336  -0.080  -7.068
  185    HB3  ALA  29           3HB      ALA  29  -3.849   0.862  -7.165
  186    H    GLY  30           H        GLY  30  -2.163   0.231  -4.972
  187    HA2  GLY  30           2HA      GLY  30  -1.274   2.929  -4.745
  188    HA3  GLY  30           1HA      GLY  30  -1.335   2.151  -3.170
  189    H    VAL  31           H        VAL  31   0.837   2.075  -2.784
  190    HA   VAL  31           HA       VAL  31   2.279   0.012  -4.212
  191    HB   VAL  31           HB       VAL  31   2.809   2.007  -5.544
  192   HG11  VAL  31          1HG1      VAL  31   4.460   3.623  -4.207
  193   HG12  VAL  31          2HG1      VAL  31   3.387   3.162  -2.885
  194   HG13  VAL  31          3HG1      VAL  31   2.725   3.916  -4.336
  195   HG21  VAL  31          3HG2      VAL  31   5.168   1.737  -5.613
  196   HG22  VAL  31          1HG2      VAL  31   4.482   0.179  -5.150
  197   HG23  VAL  31          2HG2      VAL  31   5.222   1.214  -3.929
  198    H    CYS  32           H        CYS  32   3.776  -1.000  -2.945
  199    HA   CYS  32           HA       CYS  32   3.654  -0.572  -0.136
  200    HB2  CYS  32           2HB      CYS  32   4.065  -2.780  -1.410
  201    HB3  CYS  32           1HB      CYS  32   5.732  -2.237  -1.562
  202    H    VAL  33           H        VAL  33   5.028   0.570   1.162
  203    HA   VAL  33           HA       VAL  33   6.799   2.438  -0.066
  204    HB   VAL  33           HB       VAL  33   7.321   3.179   2.228
  205   HG11  VAL  33          1HG1      VAL  33   4.440   2.985   2.498
  206   HG12  VAL  33          2HG1      VAL  33   4.933   3.400   0.856
  207   HG13  VAL  33          3HG1      VAL  33   5.457   4.398   2.214
  208   HG21  VAL  33          3HG2      VAL  33   7.318   1.377   3.643
  209   HG22  VAL  33          1HG2      VAL  33   5.878   0.665   2.913
  210   HG23  VAL  33          2HG2      VAL  33   5.726   2.052   3.992
  Start of MODEL   17
    1    H1   GLY   1           1HT      GLY   1  10.225   1.197   2.112
    2    H2   GLY   1           2HT      GLY   1  11.555   0.985   3.143
    3    H3   GLY   1           3HT      GLY   1  10.584  -0.339   2.738
    4    HA2  GLY   1           1HA      GLY   1  11.651   1.005   0.443
    5    HA3  GLY   1           2HA      GLY   1  12.896   0.356   1.502
    6    H    CYS   2           H        CYS   2   9.628  -0.830   0.743
    7    HA   CYS   2           HA       CYS   2  10.885  -3.268  -0.355
    8    HB2  CYS   2           2HB      CYS   2   8.306  -3.256   1.204
    9    HB3  CYS   2           1HB      CYS   2   9.298  -4.636   0.752
   10    H    ALA   3           H        ALA   3  10.090  -1.053  -1.830
   11    HA   ALA   3           HA       ALA   3   7.474  -1.463  -2.932
   12    HB1  ALA   3           1HB      ALA   3   9.760   0.315  -3.733
   13    HB2  ALA   3           2HB      ALA   3   8.263   0.766  -2.915
   14    HB3  ALA   3           3HB      ALA   3   8.226   0.247  -4.601
   15    H    GLY   4           H        GLY   4   7.806  -3.715  -3.433
   16    HA2  GLY   4           2HA      GLY   4   9.643  -4.742  -5.261
   17    HA3  GLY   4           1HA      GLY   4   8.050  -5.421  -4.955
   18    H    LYS   5           H        LYS   5   6.455  -3.322  -5.846
   19    HA   LYS   5           HA       LYS   5   7.162  -2.342  -8.387
   20    HB2  LYS   5           2HB      LYS   5   6.999  -4.751  -8.980
   21    HB3  LYS   5           1HB      LYS   5   5.325  -4.747  -8.444
   22    HG2  LYS   5           2HG      LYS   5   5.450  -4.591 -10.854
   23    HG3  LYS   5           1HG      LYS   5   4.774  -3.112 -10.175
   24    HD2  LYS   5           2HD      LYS   5   6.364  -2.615 -11.963
   25    HD3  LYS   5           1HD      LYS   5   6.939  -2.003 -10.414
   26    HE2  LYS   5           2HE      LYS   5   7.818  -4.727 -11.121
   27    HE3  LYS   5           1HE      LYS   5   8.452  -3.435 -12.139
   28    HZ1  LYS   5           3HZ      LYS   5   9.993  -3.615 -10.432
   29    HZ2  LYS   5           1HZ      LYS   5   8.821  -3.847  -9.232
   30    HZ3  LYS   5           2HZ      LYS   5   9.036  -2.318  -9.927
   31    H    ALA   6           H        ALA   6   4.322  -3.688  -6.700
   32    HA   ALA   6           HA       ALA   6   3.151  -1.127  -6.294
   33    HB1  ALA   6           1HB      ALA   6   1.413  -2.737  -8.075
   34    HB2  ALA   6           2HB      ALA   6   2.762  -1.888  -8.829
   35    HB3  ALA   6           3HB      ALA   6   1.555  -0.987  -7.911
   36    H    CYS   7           H        CYS   7   0.817  -1.419  -5.515
   37    HA   CYS   7           HA       CYS   7   0.223  -4.032  -4.413
   38    HB2  CYS   7           2HB      CYS   7   1.720  -2.941  -2.723
   39    HB3  CYS   7           1HB      CYS   7   0.541  -1.640  -2.581
   40    H    ASN   8           H        ASN   8  -2.026  -4.066  -3.527
   41    HA   ASN   8           HA       ASN   8  -3.611  -1.741  -4.375
   42    HB2  ASN   8           2HB      ASN   8  -3.439  -3.909  -5.980
   43    HB3  ASN   8           1HB      ASN   8  -4.770  -4.400  -4.947
   44   HD21  ASN   8          1HD2      ASN   8  -6.721  -3.338  -5.084
   45   HD22  ASN   8          2HD2      ASN   8  -7.089  -2.231  -6.357
   46    H    LEU   9           H        LEU   9  -2.760  -2.868  -1.792
   47    HA   LEU   9           HA       LEU   9  -3.546  -3.322   0.282
   48    HB2  LEU   9           2HB      LEU   9  -4.728  -1.162  -0.315
   49    HB3  LEU   9           1HB      LEU   9  -6.141  -2.132  -0.678
   50    HG   LEU   9           HG       LEU   9  -6.174  -2.932   1.661
   51   HD11  LEU   9          1HD1      LEU   9  -3.673  -1.348   1.763
   52   HD12  LEU   9          2HD1      LEU   9  -4.106  -2.842   2.593
   53   HD13  LEU   9          3HD1      LEU   9  -4.726  -1.297   3.177
   54   HD21  LEU   9          3HD2      LEU   9  -6.858  -0.772   2.673
   55   HD22  LEU   9          1HD2      LEU   9  -7.561  -1.059   1.082
   56   HD23  LEU   9          2HD2      LEU   9  -6.205   0.054   1.258
   57    H    LEU  10           H        LEU  10  -3.619  -5.520  -1.320
   58    HA   LEU  10           HA       LEU  10  -5.701  -7.056  -0.059
   59    HB2  LEU  10           2HB      LEU  10  -6.354  -8.068  -2.345
   60    HB3  LEU  10           1HB      LEU  10  -7.067  -6.547  -1.852
   61    HG   LEU  10           HG       LEU  10  -5.291  -5.405  -3.278
   62   HD11  LEU  10          1HD1      LEU  10  -5.029  -8.148  -4.493
   63   HD12  LEU  10          2HD1      LEU  10  -3.810  -7.388  -3.470
   64   HD13  LEU  10          3HD1      LEU  10  -4.236  -6.662  -5.019
   65   HD21  LEU  10          3HD2      LEU  10  -6.943  -5.178  -4.735
   66   HD22  LEU  10          1HD2      LEU  10  -7.797  -6.469  -3.888
   67   HD23  LEU  10          2HD2      LEU  10  -6.773  -6.849  -5.272
   68    H    GLY  11           H        GLY  11  -2.851  -7.015   0.081
   69    HA2  GLY  11           2HA      GLY  11  -2.330  -9.768  -0.014
   70    HA3  GLY  11           1HA      GLY  11  -1.642  -9.033  -1.454
   71    H    LEU  12           H        LEU  12  -0.669 -10.207   1.266
   72    HA   LEU  12           HA       LEU  12   0.937  -8.003   2.237
   73    HB2  LEU  12           2HB      LEU  12   1.886  -9.908   3.750
   74    HB3  LEU  12           1HB      LEU  12   0.315  -9.217   4.070
   75    HG   LEU  12           HG       LEU  12   0.501 -11.712   4.337
   76   HD11  LEU  12          1HD1      LEU  12  -1.544 -10.511   2.502
   77   HD12  LEU  12          2HD1      LEU  12  -1.671 -10.855   4.227
   78   HD13  LEU  12          3HD1      LEU  12  -1.640 -12.181   3.064
   79   HD21  LEU  12          3HD2      LEU  12   0.961 -13.135   2.659
   80   HD22  LEU  12          1HD2      LEU  12   1.792 -11.736   1.976
   81   HD23  LEU  12          2HD2      LEU  12   0.158 -12.138   1.444
   82    H    THR  13           H        THR  13   1.556  -8.434  -0.342
   83    HA   THR  13           HA       THR  13   3.881 -10.150  -0.526
   84    HB   THR  13           HB       THR  13   2.360 -10.040  -2.428
   85    HG1  THR  13           1HG      THR  13   4.934  -8.918  -2.891
   86   HG21  THR  13          3HG2      THR  13   1.440  -8.137  -3.116
   87   HG22  THR  13          1HG2      THR  13   3.028  -7.503  -3.546
   88   HG23  THR  13          2HG2      THR  13   2.390  -7.254  -1.921
   89    H    CYS  14           H        CYS  14   4.113  -8.085   1.378
   90    HA   CYS  14           HA       CYS  14   6.485  -6.747   0.354
   91    HB2  CYS  14           2HB      CYS  14   4.192  -5.275   1.676
   92    HB3  CYS  14           1HB      CYS  14   5.786  -4.584   1.394
   93    H    ASP  15           H        ASP  15   8.062  -6.574   1.855
   94    HA   ASP  15           HA       ASP  15   8.018  -8.182   4.119
   95    HB2  ASP  15           2HB      ASP  15   9.875  -5.935   3.344
   96    HB3  ASP  15           1HB      ASP  15  10.159  -7.000   4.719
   97    H    ALA  16           H        ALA  16   8.157  -7.723   6.315
   98    HA   ALA  16           HA       ALA  16   6.188  -6.101   7.371
   99    HB1  ALA  16           1HB      ALA  16   8.315  -7.771   8.402
  100    HB2  ALA  16           2HB      ALA  16   6.699  -7.475   9.044
  101    HB3  ALA  16           3HB      ALA  16   8.018  -6.371   9.433
  102    H    GLY  17           H        GLY  17   6.046  -4.059   8.056
  103    HA2  GLY  17           2HA      GLY  17   6.961  -2.032   8.948
  104    HA3  GLY  17           1HA      GLY  17   8.486  -2.420   8.159
  105    H    CYS  18           H        CYS  18   7.431  -3.152   5.647
  106    HA   CYS  18           HA       CYS  18   6.901  -0.495   4.589
  107    HB2  CYS  18           2HB      CYS  18   7.381  -3.099   3.134
  108    HB3  CYS  18           1HB      CYS  18   7.314  -1.497   2.405
  109    H    PHE  19           H        PHE  19   4.793  -0.368   5.475
  110    HA   PHE  19           HA       PHE  19   2.701  -2.132   4.938
  111    HB2  PHE  19           2HB      PHE  19   1.215  -0.215   5.508
  112    HB3  PHE  19           1HB      PHE  19   2.483  -0.511   6.687
  113    HD1  PHE  19           2HD      PHE  19   1.401   1.754   3.952
  114    HD2  PHE  19           1HD      PHE  19   4.085   1.133   7.206
  115    HE1  PHE  19           2HE      PHE  19   2.069   4.115   3.847
  116    HE2  PHE  19           1HE      PHE  19   4.746   3.500   7.110
  117    HZ   PHE  19           HZ       PHE  19   3.742   4.993   5.430
  118    H    CYS  20           H        CYS  20   0.988  -2.083   3.499
  119    HA   CYS  20           HA       CYS  20   1.652  -1.351   0.822
  120    HB2  CYS  20           2HB      CYS  20   0.319  -3.347   1.248
  121    HB3  CYS  20           1HB      CYS  20  -0.926  -2.384   2.033
  122    H    ARG  21           H        ARG  21   2.005   0.885   1.185
  123    HA   ARG  21           HA       ARG  21   0.026   2.676   2.075
  124    HB2  ARG  21           2HB      ARG  21   2.379   3.215   2.122
  125    HB3  ARG  21           1HB      ARG  21   2.482   3.080   0.374
  126    HG2  ARG  21           2HG      ARG  21   0.804   4.984   0.289
  127    HG3  ARG  21           1HG      ARG  21   1.145   5.196   2.010
  128    HD2  ARG  21           2HD      ARG  21   2.515   6.579   0.321
  129    HD3  ARG  21           1HD      ARG  21   3.372   5.761   1.629
  130    HE   ARG  21           HE       ARG  21   3.248   4.061  -0.618
  131   HH11  ARG  21          1HH1      ARG  21   4.814   7.016   0.409
  132   HH12  ARG  21          2HH1      ARG  21   6.249   6.732  -0.517
  133   HH21  ARG  21          1HH2      ARG  21   5.135   3.664  -1.826
  134   HH22  ARG  21          2HH2      ARG  21   6.433   4.812  -1.799
  135    HA   PRO  22           HA       PRO  22  -2.467   2.735  -1.626
  136    HB2  PRO  22           2HB      PRO  22  -4.275   4.527  -0.741
  137    HB3  PRO  22           1HB      PRO  22  -4.247   2.856  -0.166
  138    HG2  PRO  22           2HG      PRO  22  -3.171   5.326   1.136
  139    HG3  PRO  22           1HG      PRO  22  -4.075   3.983   1.860
  140    HD2  PRO  22           2HD      PRO  22  -1.363   4.223   2.025
  141    HD3  PRO  22           1HD      PRO  22  -2.206   2.662   2.041
  142    H    ASP  23           H        ASP  23  -3.163   4.306  -3.202
  143    HA   ASP  23           HA       ASP  23  -1.186   6.153  -3.937
  144    HB2  ASP  23           2HB      ASP  23  -2.690   5.114  -5.560
  145    HB3  ASP  23           1HB      ASP  23  -4.071   5.923  -4.832
  146    H    GLY  24           H        GLY  24  -4.449   6.721  -2.619
  147    HA2  GLY  24           2HA      GLY  24  -3.505   9.034  -1.198
  148    HA3  GLY  24           1HA      GLY  24  -4.579   9.416  -2.536
  149    H    VAL  25           H        VAL  25  -6.297  10.138  -1.398
  150    HA   VAL  25           HA       VAL  25  -7.349   8.628   0.819
  151    HB   VAL  25           HB       VAL  25  -9.122  10.394   0.878
  152   HG11  VAL  25          1HG1      VAL  25  -7.792  11.593   2.217
  153   HG12  VAL  25          2HG1      VAL  25  -6.692  12.010   0.902
  154   HG13  VAL  25          3HG1      VAL  25  -6.520  10.468   1.740
  155   HG21  VAL  25          3HG2      VAL  25  -8.936  10.941  -1.577
  156   HG22  VAL  25          1HG2      VAL  25  -7.451  11.811  -1.191
  157   HG23  VAL  25          2HG2      VAL  25  -8.986  12.330  -0.493
  158    H    GLY  26           H        GLY  26  -8.989   7.278   0.815
  159    HA2  GLY  26           2HA      GLY  26 -10.756   5.997   0.111
  160    HA3  GLY  26           1HA      GLY  26 -11.128   7.276  -1.032
  161    H    ILE  27           H        ILE  27  -8.057   5.593  -0.996
  162    HA   ILE  27           HA       ILE  27  -8.876   4.095  -3.390
  163    HB   ILE  27           HB       ILE  27  -6.163   5.382  -3.128
  164   HG12  ILE  27          2HG1      ILE  27  -8.528   6.385  -4.734
  165   HG13  ILE  27          1HG1      ILE  27  -7.909   7.139  -3.268
  166   HG21  ILE  27          1HG2      ILE  27  -5.801   4.735  -5.352
  167   HG22  ILE  27          2HG2      ILE  27  -7.512   4.407  -5.623
  168   HG23  ILE  27          3HG2      ILE  27  -6.562   3.337  -4.591
  169   HD11  ILE  27          3HD1      ILE  27  -5.994   6.735  -5.483
  170   HD12  ILE  27          1HD1      ILE  27  -6.138   8.060  -4.328
  171   HD13  ILE  27          2HD1      ILE  27  -7.243   7.961  -5.699
  172    H    VAL  28           H        VAL  28  -8.180   2.042  -3.437
  173    HA   VAL  28           HA       VAL  28  -6.724   1.058  -1.115
  174    HB   VAL  28           HB       VAL  28  -7.329  -1.209  -1.952
  175   HG11  VAL  28          1HG1      VAL  28  -9.009   0.771  -0.827
  176   HG12  VAL  28          2HG1      VAL  28  -9.094  -0.980  -0.630
  177   HG13  VAL  28          3HG1      VAL  28  -9.988  -0.195  -1.932
  178   HG21  VAL  28          3HG2      VAL  28  -7.771   0.092  -4.363
  179   HG22  VAL  28          1HG2      VAL  28  -9.389  -0.314  -3.788
  180   HG23  VAL  28          2HG2      VAL  28  -8.178  -1.581  -3.982
  181    H    ALA  29           H        ALA  29  -6.418   1.366  -4.570
  182    HA   ALA  29           HA       ALA  29  -4.121  -0.260  -4.890
  183    HB1  ALA  29           1HB      ALA  29  -3.907   1.081  -7.055
  184    HB2  ALA  29           2HB      ALA  29  -5.406   1.874  -6.568
  185    HB3  ALA  29           3HB      ALA  29  -5.377   0.128  -6.829
  186    H    GLY  30           H        GLY  30  -1.964   0.258  -4.895
  187    HA2  GLY  30           2HA      GLY  30  -0.949   2.899  -4.867
  188    HA3  GLY  30           1HA      GLY  30  -1.081   2.322  -3.213
  189    H    VAL  31           H        VAL  31   1.100   2.269  -2.819
  190    HA   VAL  31           HA       VAL  31   2.466  -0.056  -3.853
  191    HB   VAL  31           HB       VAL  31   3.093   1.598  -5.531
  192   HG11  VAL  31          1HG1      VAL  31   2.790   3.638  -4.266
  193   HG12  VAL  31          2HG1      VAL  31   4.418   3.578  -4.940
  194   HG13  VAL  31          3HG1      VAL  31   4.158   3.227  -3.232
  195   HG21  VAL  31          3HG2      VAL  31   5.107   0.489  -3.664
  196   HG22  VAL  31          1HG2      VAL  31   5.670   1.652  -4.865
  197   HG23  VAL  31          2HG2      VAL  31   4.855   0.176  -5.382
  198    H    CYS  32           H        CYS  32   3.713  -0.960  -2.330
  199    HA   CYS  32           HA       CYS  32   3.640  -0.089   0.327
  200    HB2  CYS  32           2HB      CYS  32   5.582  -2.006  -0.982
  201    HB3  CYS  32           1HB      CYS  32   5.336  -1.836   0.754
  202    H    VAL  33           H        VAL  33   5.181   0.840   1.677
  203    HA   VAL  33           HA       VAL  33   6.837   2.812   0.444
  204    HB   VAL  33           HB       VAL  33   7.489   3.426   2.749
  205   HG11  VAL  33          1HG1      VAL  33   4.528   3.000   2.403
  206   HG12  VAL  33          2HG1      VAL  33   5.457   4.334   1.717
  207   HG13  VAL  33          3HG1      VAL  33   5.298   4.176   3.468
  208   HG21  VAL  33          3HG2      VAL  33   7.024   0.847   3.414
  209   HG22  VAL  33          1HG2      VAL  33   5.529   1.598   3.975
  210   HG23  VAL  33          2HG2      VAL  33   7.087   2.170   4.578
  Start of MODEL   18
    1    H1   GLY   1           1HT      GLY   1  10.429   1.652   1.433
    2    H2   GLY   1           2HT      GLY   1  11.907   1.517   2.255
    3    H3   GLY   1           3HT      GLY   1  10.999   0.129   1.919
    4    HA2  GLY   1           1HA      GLY   1  11.610   1.651  -0.430
    5    HA3  GLY   1           2HA      GLY   1  13.046   1.082   0.412
    6    H    CYS   2           H        CYS   2   9.812  -0.342   0.005
    7    HA   CYS   2           HA       CYS   2  11.105  -2.669  -1.283
    8    HB2  CYS   2           2HB      CYS   2   8.638  -2.820   0.440
    9    HB3  CYS   2           1HB      CYS   2   9.672  -4.134  -0.100
   10    H    ALA   3           H        ALA   3  10.124  -0.476  -2.650
   11    HA   ALA   3           HA       ALA   3   7.440  -0.860  -3.526
   12    HB1  ALA   3           1HB      ALA   3   8.308   1.336  -3.634
   13    HB2  ALA   3           2HB      ALA   3   8.065   0.788  -5.293
   14    HB3  ALA   3           3HB      ALA   3   9.687   0.814  -4.602
   15    H    GLY   4           H        GLY   4   7.673  -3.147  -4.004
   16    HA2  GLY   4           2HA      GLY   4   9.260  -4.260  -5.997
   17    HA3  GLY   4           1HA      GLY   4   7.680  -4.870  -5.528
   18    H    LYS   5           H        LYS   5   6.081  -2.729  -6.273
   19    HA   LYS   5           HA       LYS   5   6.524  -1.690  -8.822
   20    HB2  LYS   5           2HB      LYS   5   6.418  -4.094  -9.492
   21    HB3  LYS   5           1HB      LYS   5   4.773  -4.158  -8.875
   22    HG2  LYS   5           2HG      LYS   5   4.821  -3.907 -11.297
   23    HG3  LYS   5           1HG      LYS   5   4.065  -2.520 -10.516
   24    HD2  LYS   5           2HD      LYS   5   5.513  -1.752 -12.291
   25    HD3  LYS   5           1HD      LYS   5   6.195  -1.279 -10.736
   26    HE2  LYS   5           2HE      LYS   5   7.080  -3.858 -11.924
   27    HE3  LYS   5           1HE      LYS   5   7.667  -2.369 -12.658
   28    HZ1  LYS   5           3HZ      LYS   5   8.081  -3.324  -9.880
   29    HZ2  LYS   5           1HZ      LYS   5   8.351  -1.713 -10.327
   30    HZ3  LYS   5           2HZ      LYS   5   9.247  -2.950 -11.049
   31    H    ALA   6           H        ALA   6   3.920  -3.203  -6.928
   32    HA   ALA   6           HA       ALA   6   2.643  -0.730  -6.361
   33    HB1  ALA   6           1HB      ALA   6   0.540  -1.170  -7.606
   34    HB2  ALA   6           2HB      ALA   6   1.346  -2.498  -8.441
   35    HB3  ALA   6           3HB      ALA   6   1.911  -0.842  -8.667
   36    H    CYS   7           H        CYS   7   0.698  -1.071  -5.034
   37    HA   CYS   7           HA       CYS   7   0.157  -3.798  -4.218
   38    HB2  CYS   7           2HB      CYS   7   2.068  -3.195  -2.796
   39    HB3  CYS   7           1HB      CYS   7   1.196  -1.775  -2.227
   40    H    ASN   8           H        ASN   8  -1.903  -4.056  -3.579
   41    HA   ASN   8           HA       ASN   8  -3.529  -1.629  -3.276
   42    HB2  ASN   8           2HB      ASN   8  -4.202  -4.421  -4.203
   43    HB3  ASN   8           1HB      ASN   8  -5.453  -3.297  -3.684
   44   HD21  ASN   8          1HD2      ASN   8  -6.448  -2.532  -5.398
   45   HD22  ASN   8          2HD2      ASN   8  -5.699  -1.998  -6.859
   46    H    LEU   9           H        LEU   9  -4.754  -1.348  -1.439
   47    HA   LEU   9           HA       LEU   9  -3.904  -2.647   0.912
   48    HB2  LEU   9           2HB      LEU   9  -5.832  -1.466   1.999
   49    HB3  LEU   9           1HB      LEU   9  -4.701  -0.444   1.141
   50    HG   LEU   9           HG       LEU   9  -6.404  -0.560  -0.807
   51   HD11  LEU   9          1HD1      LEU   9  -7.698  -2.360   0.669
   52   HD12  LEU   9          2HD1      LEU   9  -8.523  -1.275  -0.449
   53   HD13  LEU   9          3HD1      LEU   9  -8.480  -0.899   1.274
   54   HD21  LEU   9          3HD2      LEU   9  -7.213   1.467  -0.147
   55   HD22  LEU   9          1HD2      LEU   9  -5.859   1.304   0.971
   56   HD23  LEU   9          2HD2      LEU   9  -7.498   0.941   1.512
   57    H    LEU  10           H        LEU  10  -5.978  -3.710  -1.454
   58    HA   LEU  10           HA       LEU  10  -7.742  -5.292   0.191
   59    HB2  LEU  10           2HB      LEU  10  -7.223  -5.265  -2.785
   60    HB3  LEU  10           1HB      LEU  10  -8.463  -6.231  -2.004
   61    HG   LEU  10           HG       LEU  10  -8.359  -3.212  -1.976
   62   HD11  LEU  10          1HD1      LEU  10 -10.615  -4.367  -3.326
   63   HD12  LEU  10          2HD1      LEU  10  -9.110  -4.929  -4.053
   64   HD13  LEU  10          3HD1      LEU  10  -9.431  -3.201  -3.918
   65   HD21  LEU  10          3HD2      LEU  10 -10.491  -5.136  -1.052
   66   HD22  LEU  10          1HD2      LEU  10 -10.623  -3.378  -1.074
   67   HD23  LEU  10          2HD2      LEU  10  -9.455  -4.161  -0.010
   68    H    GLY  11           H        GLY  11  -4.993  -5.763   0.711
   69    HA2  GLY  11           2HA      GLY  11  -4.780  -8.440   1.007
   70    HA3  GLY  11           1HA      GLY  11  -4.191  -8.189  -0.632
   71    H    LEU  12           H        LEU  12  -2.050  -8.581  -0.388
   72    HA   LEU  12           HA       LEU  12  -0.439  -6.561   0.795
   73    HB2  LEU  12           2HB      LEU  12  -1.186  -8.025   2.766
   74    HB3  LEU  12           1HB      LEU  12  -0.190  -9.284   2.072
   75    HG   LEU  12           HG       LEU  12   0.806  -7.919   3.981
   76   HD11  LEU  12          1HD1      LEU  12   3.044  -7.873   2.971
   77   HD12  LEU  12          2HD1      LEU  12   2.318  -8.116   1.383
   78   HD13  LEU  12          3HD1      LEU  12   2.178  -9.368   2.618
   79   HD21  LEU  12          3HD2      LEU  12   0.117  -5.791   2.292
   80   HD22  LEU  12          1HD2      LEU  12   1.878  -5.876   2.282
   81   HD23  LEU  12          2HD2      LEU  12   1.012  -5.721   3.810
   82    H    THR  13           H        THR  13   1.428  -6.478  -0.284
   83    HA   THR  13           HA       THR  13   2.714  -8.813  -1.345
   84    HB   THR  13           HB       THR  13   1.079  -8.522  -3.109
   85    HG1  THR  13           1HG      THR  13   3.688  -7.626  -3.806
   86   HG21  THR  13          3HG2      THR  13   1.876  -5.655  -2.935
   87   HG22  THR  13          1HG2      THR  13   0.274  -6.371  -3.103
   88   HG23  THR  13          2HG2      THR  13   1.358  -6.301  -4.492
   89    H    CYS  14           H        CYS  14   3.579  -7.125   0.525
   90    HA   CYS  14           HA       CYS  14   5.687  -5.584  -0.830
   91    HB2  CYS  14           2HB      CYS  14   4.341  -4.836   1.774
   92    HB3  CYS  14           1HB      CYS  14   5.596  -3.924   0.947
   93    H    ASP  15           H        ASP  15   7.717  -5.704   0.067
   94    HA   ASP  15           HA       ASP  15   8.436  -8.030   1.441
   95    HB2  ASP  15           2HB      ASP  15   9.984  -5.437   1.186
   96    HB3  ASP  15           1HB      ASP  15  10.662  -6.981   1.689
   97    H    ALA  16           H        ALA  16   9.034  -8.407   3.561
   98    HA   ALA  16           HA       ALA  16   7.509  -7.329   5.578
   99    HB1  ALA  16           1HB      ALA  16   9.708  -8.216   6.944
  100    HB2  ALA  16           2HB      ALA  16   9.823  -9.099   5.422
  101    HB3  ALA  16           3HB      ALA  16   8.363  -9.220   6.403
  102    H    GLY  17           H        GLY  17   7.494  -5.465   6.599
  103    HA2  GLY  17           2HA      GLY  17   8.775  -3.904   8.009
  104    HA3  GLY  17           1HA      GLY  17   9.994  -3.904   6.741
  105    H    CYS  18           H        CYS  18   8.366  -3.703   4.503
  106    HA   CYS  18           HA       CYS  18   7.571  -0.915   4.705
  107    HB2  CYS  18           2HB      CYS  18   7.843  -2.732   2.299
  108    HB3  CYS  18           1HB      CYS  18   7.487  -1.009   2.239
  109    H    PHE  19           H        PHE  19   5.564  -0.476   5.196
  110    HA   PHE  19           HA       PHE  19   3.452  -2.379   5.000
  111    HB2  PHE  19           2HB      PHE  19   2.008  -0.603   5.871
  112    HB3  PHE  19           1HB      PHE  19   3.493  -0.719   6.804
  113    HD1  PHE  19           1HD      PHE  19   1.665   1.319   4.305
  114    HD2  PHE  19           2HD      PHE  19   5.009   1.093   6.939
  115    HE1  PHE  19           1HE      PHE  19   2.062   3.721   3.998
  116    HE2  PHE  19           2HE      PHE  19   5.411   3.498   6.633
  117    HZ   PHE  19           HZ       PHE  19   3.937   4.817   5.165
  118    H    CYS  20           H        CYS  20   1.618  -2.335   3.699
  119    HA   CYS  20           HA       CYS  20   2.042  -1.403   1.025
  120    HB2  CYS  20           2HB      CYS  20   0.804  -3.501   1.542
  121    HB3  CYS  20           1HB      CYS  20  -0.458  -2.547   2.312
  122    H    ARG  21           H        ARG  21   1.704   0.657   0.421
  123    HA   ARG  21           HA       ARG  21  -0.229   2.220   1.991
  124    HB2  ARG  21           2HB      ARG  21   2.136   2.962   2.117
  125    HB3  ARG  21           1HB      ARG  21   2.117   3.233   0.380
  126    HG2  ARG  21           2HG      ARG  21   0.186   4.824   0.801
  127    HG3  ARG  21           1HG      ARG  21   0.600   4.693   2.511
  128    HD2  ARG  21           2HD      ARG  21   2.746   5.632   2.160
  129    HD3  ARG  21           1HD      ARG  21   2.607   5.477   0.409
  130    HE   ARG  21           HE       ARG  21   1.591   7.602   2.049
  131   HH11  ARG  21          1HH1      ARG  21   1.254   5.947  -1.019
  132   HH12  ARG  21          2HH1      ARG  21   0.331   7.219  -1.754
  133   HH21  ARG  21          1HH2      ARG  21   0.396   9.306   1.050
  134   HH22  ARG  21          2HH2      ARG  21  -0.141   9.121  -0.590
  135    HA   PRO  22           HA       PRO  22  -2.625   2.446  -1.775
  136    HB2  PRO  22           2HB      PRO  22  -4.462   4.213  -0.810
  137    HB3  PRO  22           1HB      PRO  22  -4.515   2.482  -0.467
  138    HG2  PRO  22           2HG      PRO  22  -3.530   4.725   1.238
  139    HG3  PRO  22           1HG      PRO  22  -4.434   3.274   1.704
  140    HD2  PRO  22           2HD      PRO  22  -1.745   3.546   2.070
  141    HD3  PRO  22           1HD      PRO  22  -2.539   1.980   1.812
  142    H    ASP  23           H        ASP  23  -3.149   4.158  -3.312
  143    HA   ASP  23           HA       ASP  23  -1.074   5.982  -3.683
  144    HB2  ASP  23           2HB      ASP  23  -2.544   5.252  -5.505
  145    HB3  ASP  23           1HB      ASP  23  -3.886   6.139  -4.786
  146    H    GLY  24           H        GLY  24  -4.401   6.700  -2.621
  147    HA2  GLY  24           2HA      GLY  24  -3.393   8.745  -0.851
  148    HA3  GLY  24           1HA      GLY  24  -4.339   9.350  -2.202
  149    H    VAL  25           H        VAL  25  -6.096  10.070  -1.131
  150    HA   VAL  25           HA       VAL  25  -7.399   8.432   0.851
  151    HB   VAL  25           HB       VAL  25  -9.054  10.310   0.966
  152   HG11  VAL  25          1HG1      VAL  25  -6.136  10.989   1.312
  153   HG12  VAL  25          2HG1      VAL  25  -7.199  10.238   2.503
  154   HG13  VAL  25          3HG1      VAL  25  -7.474  11.907   2.004
  155   HG21  VAL  25          3HG2      VAL  25  -8.823  12.275  -0.257
  156   HG22  VAL  25          1HG2      VAL  25  -8.499  11.024  -1.458
  157   HG23  VAL  25          2HG2      VAL  25  -7.162  11.907  -0.723
  158    H    GLY  26           H        GLY  26  -9.122   7.210   0.600
  159    HA2  GLY  26           2HA      GLY  26 -10.908   6.131  -0.347
  160    HA3  GLY  26           1HA      GLY  26 -11.113   7.538  -1.378
  161    H    ILE  27           H        ILE  27  -8.162   5.649  -1.315
  162    HA   ILE  27           HA       ILE  27  -8.900   4.493  -3.917
  163    HB   ILE  27           HB       ILE  27  -6.126   5.468  -3.264
  164   HG12  ILE  27          2HG1      ILE  27  -8.235   6.828  -4.958
  165   HG13  ILE  27          1HG1      ILE  27  -7.705   7.374  -3.372
  166   HG21  ILE  27          1HG2      ILE  27  -7.404   4.632  -5.862
  167   HG22  ILE  27          2HG2      ILE  27  -6.259   3.680  -4.918
  168   HG23  ILE  27          3HG2      ILE  27  -5.745   5.193  -5.662
  169   HD11  ILE  27          3HD1      ILE  27  -6.235   8.646  -4.427
  170   HD12  ILE  27          1HD1      ILE  27  -6.555   7.851  -5.968
  171   HD13  ILE  27          2HD1      ILE  27  -5.370   7.169  -4.853
  172    H    VAL  28           H        VAL  28  -8.429   2.407  -4.158
  173    HA   VAL  28           HA       VAL  28  -7.411   0.974  -1.850
  174    HB   VAL  28           HB       VAL  28  -8.123  -1.070  -3.057
  175   HG11  VAL  28          1HG1      VAL  28 -10.607  -0.439  -3.108
  176   HG12  VAL  28          2HG1      VAL  28 -10.071   1.170  -2.625
  177   HG13  VAL  28          3HG1      VAL  28  -9.732  -0.219  -1.592
  178   HG21  VAL  28          3HG2      VAL  28  -9.707   0.289  -5.070
  179   HG22  VAL  28          1HG2      VAL  28  -8.636  -1.103  -5.228
  180   HG23  VAL  28          2HG2      VAL  28  -7.976   0.532  -5.314
  181    H    ALA  29           H        ALA  29  -6.475   1.713  -5.121
  182    HA   ALA  29           HA       ALA  29  -4.280  -0.154  -5.156
  183    HB1  ALA  29           1HB      ALA  29  -5.209   0.214  -7.272
  184    HB2  ALA  29           2HB      ALA  29  -3.710   1.144  -7.293
  185    HB3  ALA  29           3HB      ALA  29  -5.252   1.963  -7.048
  186    H    GLY  30           H        GLY  30  -2.080   0.382  -5.094
  187    HA2  GLY  30           2HA      GLY  30  -1.166   3.056  -4.716
  188    HA3  GLY  30           1HA      GLY  30  -1.246   2.185  -3.190
  189    H    VAL  31           H        VAL  31   1.007   2.266  -2.931
  190    HA   VAL  31           HA       VAL  31   2.387   0.140  -4.332
  191    HB   VAL  31           HB       VAL  31   2.812   2.101  -5.770
  192   HG11  VAL  31          1HG1      VAL  31   2.897   4.071  -4.710
  193   HG12  VAL  31          2HG1      VAL  31   4.606   3.692  -4.496
  194   HG13  VAL  31          3HG1      VAL  31   3.459   3.351  -3.201
  195   HG21  VAL  31          3HG2      VAL  31   5.424   2.047  -5.417
  196   HG22  VAL  31          1HG2      VAL  31   4.549   0.636  -6.009
  197   HG23  VAL  31          2HG2      VAL  31   5.015   0.736  -4.311
  198    H    CYS  32           H        CYS  32   4.089  -0.717  -3.166
  199    HA   CYS  32           HA       CYS  32   4.049  -0.377  -0.367
  200    HB2  CYS  32           2HB      CYS  32   6.261  -1.627  -2.003
  201    HB3  CYS  32           1HB      CYS  32   5.867  -1.953  -0.318
  202    H    VAL  33           H        VAL  33   5.319   0.805   0.986
  203    HA   VAL  33           HA       VAL  33   6.816   2.977  -0.136
  204    HB   VAL  33           HB       VAL  33   7.260   3.614   2.217
  205   HG11  VAL  33          1HG1      VAL  33   5.359   4.668   1.569
  206   HG12  VAL  33          2HG1      VAL  33   4.664   3.635   2.818
  207   HG13  VAL  33          3HG1      VAL  33   4.547   3.169   1.121
  208   HG21  VAL  33          3HG2      VAL  33   7.299   1.238   3.056
  209   HG22  VAL  33          1HG2      VAL  33   5.536   1.267   2.985
  210   HG23  VAL  33          2HG2      VAL  33   6.395   2.380   4.052
  Start of MODEL   19
    1    H1   GLY   1           1HT      GLY   1  10.230   0.425   1.802
    2    H2   GLY   1           2HT      GLY   1  11.592   0.034   2.734
    3    H3   GLY   1           3HT      GLY   1  10.552  -1.192   2.206
    4    HA2  GLY   1           1HA      GLY   1  11.590   0.411   0.064
    5    HA3  GLY   1           2HA      GLY   1  12.837  -0.442   0.967
    6    H    CYS   2           H        CYS   2   9.487  -1.384   0.308
    7    HA   CYS   2           HA       CYS   2  10.536  -3.747  -1.122
    8    HB2  CYS   2           2HB      CYS   2   7.946  -3.595   0.423
    9    HB3  CYS   2           1HB      CYS   2   8.742  -5.030  -0.206
   10    H    ALA   3           H        ALA   3   9.965  -1.253  -2.296
   11    HA   ALA   3           HA       ALA   3   7.380  -1.301  -3.526
   12    HB1  ALA   3           1HB      ALA   3   8.039   0.656  -4.670
   13    HB2  ALA   3           2HB      ALA   3   9.748   0.328  -4.389
   14    HB3  ALA   3           3HB      ALA   3   8.701   0.772  -3.040
   15    H    GLY   4           H        GLY   4   7.618  -3.513  -4.302
   16    HA2  GLY   4           2HA      GLY   4   9.437  -4.318  -6.279
   17    HA3  GLY   4           1HA      GLY   4   7.852  -5.031  -6.014
   18    H    LYS   5           H        LYS   5   6.274  -2.776  -6.569
   19    HA   LYS   5           HA       LYS   5   6.872  -1.480  -8.977
   20    HB2  LYS   5           2HB      LYS   5   6.714  -3.807  -9.882
   21    HB3  LYS   5           1HB      LYS   5   5.041  -3.862  -9.339
   22    HG2  LYS   5           2HG      LYS   5   4.456  -2.059 -10.834
   23    HG3  LYS   5           1HG      LYS   5   6.142  -1.885 -11.324
   24    HD2  LYS   5           2HD      LYS   5   6.082  -4.202 -12.196
   25    HD3  LYS   5           1HD      LYS   5   4.368  -4.282 -11.786
   26    HE2  LYS   5           2HE      LYS   5   4.700  -3.758 -14.152
   27    HE3  LYS   5           1HE      LYS   5   3.902  -2.435 -13.302
   28    HZ1  LYS   5           3HZ      LYS   5   6.617  -1.941 -13.128
   29    HZ2  LYS   5           1HZ      LYS   5   5.483  -1.111 -14.072
   30    HZ3  LYS   5           2HZ      LYS   5   6.344  -2.410 -14.731
   31    H    ALA   6           H        ALA   6   4.256  -3.031  -7.168
   32    HA   ALA   6           HA       ALA   6   2.978  -0.542  -6.609
   33    HB1  ALA   6           1HB      ALA   6   2.313  -1.495  -9.070
   34    HB2  ALA   6           2HB      ALA   6   1.261  -0.492  -8.071
   35    HB3  ALA   6           3HB      ALA   6   1.075  -2.246  -8.065
   36    H    CYS   7           H        CYS   7   0.693  -1.097  -5.609
   37    HA   CYS   7           HA       CYS   7   0.602  -3.718  -4.374
   38    HB2  CYS   7           2HB      CYS   7   2.131  -2.296  -2.938
   39    HB3  CYS   7           1HB      CYS   7   0.740  -1.268  -2.608
   40    H    ASN   8           H        ASN   8  -1.391  -3.867  -2.932
   41    HA   ASN   8           HA       ASN   8  -3.481  -1.935  -3.474
   42    HB2  ASN   8           2HB      ASN   8  -3.323  -3.588  -5.450
   43    HB3  ASN   8           1HB      ASN   8  -3.914  -4.797  -4.325
   44   HD21  ASN   8          1HD2      ASN   8  -5.277  -1.895  -3.473
   45   HD22  ASN   8          2HD2      ASN   8  -6.757  -2.034  -4.351
   46    H    LEU   9           H        LEU   9  -4.734  -1.811  -1.698
   47    HA   LEU   9           HA       LEU   9  -4.230  -3.480   0.545
   48    HB2  LEU   9           2HB      LEU   9  -6.091  -1.208  -0.007
   49    HB3  LEU   9           1HB      LEU   9  -6.309  -2.165   1.444
   50    HG   LEU   9           HG       LEU   9  -5.044  -0.224   2.019
   51   HD11  LEU   9          1HD1      LEU   9  -3.413  -2.739   1.903
   52   HD12  LEU   9          2HD1      LEU   9  -4.321  -2.074   3.261
   53   HD13  LEU   9          3HD1      LEU   9  -2.845  -1.280   2.713
   54   HD21  LEU   9          3HD2      LEU   9  -3.779  -0.674  -0.542
   55   HD22  LEU   9          1HD2      LEU   9  -2.593  -0.412   0.737
   56   HD23  LEU   9          2HD2      LEU   9  -3.850   0.789   0.442
   57    H    LEU  10           H        LEU  10  -4.997  -5.270  -1.277
   58    HA   LEU  10           HA       LEU  10  -7.798  -5.944  -0.723
   59    HB2  LEU  10           2HB      LEU  10  -5.810  -7.044  -2.709
   60    HB3  LEU  10           1HB      LEU  10  -7.386  -7.761  -2.433
   61    HG   LEU  10           HG       LEU  10  -6.821  -5.011  -3.538
   62   HD11  LEU  10          1HD1      LEU  10  -8.512  -6.750  -5.095
   63   HD12  LEU  10          2HD1      LEU  10  -6.951  -7.505  -4.773
   64   HD13  LEU  10          3HD1      LEU  10  -7.023  -5.924  -5.552
   65   HD21  LEU  10          3HD2      LEU  10  -8.767  -4.533  -2.471
   66   HD22  LEU  10          1HD2      LEU  10  -9.279  -6.220  -2.412
   67   HD23  LEU  10          2HD2      LEU  10  -9.444  -5.299  -3.907
   68    H    GLY  11           H        GLY  11  -4.519  -6.919  -0.164
   69    HA2  GLY  11           2HA      GLY  11  -5.125  -8.451   2.108
   70    HA3  GLY  11           1HA      GLY  11  -4.896  -9.536   0.742
   71    H    LEU  12           H        LEU  12  -2.943 -10.439   1.127
   72    HA   LEU  12           HA       LEU  12  -0.734  -8.700   1.891
   73    HB2  LEU  12           2HB      LEU  12   0.519 -10.714   2.377
   74    HB3  LEU  12           1HB      LEU  12  -1.024 -10.759   3.201
   75    HG   LEU  12           HG       LEU  12  -0.597 -12.199   0.591
   76   HD11  LEU  12          1HD1      LEU  12  -0.517 -14.051   2.690
   77   HD12  LEU  12          2HD1      LEU  12   0.620 -12.776   3.125
   78   HD13  LEU  12          3HD1      LEU  12   0.788 -13.619   1.586
   79   HD21  LEU  12          3HD2      LEU  12  -2.478 -12.772   2.876
   80   HD22  LEU  12          1HD2      LEU  12  -2.475 -13.509   1.273
   81   HD23  LEU  12          2HD2      LEU  12  -2.911 -11.811   1.463
   82    H    THR  13           H        THR  13   0.712  -8.054   0.456
   83    HA   THR  13           HA       THR  13   1.390  -9.627  -1.829
   84    HB   THR  13           HB       THR  13  -0.661  -8.678  -2.698
   85    HG1  THR  13           1HG      THR  13   1.691  -7.463  -3.745
   86   HG21  THR  13          3HG2      THR  13  -0.727  -6.129  -3.023
   87   HG22  THR  13          1HG2      THR  13   0.492  -6.075  -1.747
   88   HG23  THR  13          2HG2      THR  13  -1.097  -6.769  -1.421
   89    H    CYS  14           H        CYS  14   2.885  -8.729   0.287
   90    HA   CYS  14           HA       CYS  14   5.002  -7.371  -1.032
   91    HB2  CYS  14           2HB      CYS  14   3.422  -5.473  -0.336
   92    HB3  CYS  14           1HB      CYS  14   3.842  -5.886   1.322
   93    H    ASP  15           H        ASP  15   6.763  -6.865   0.686
   94    HA   ASP  15           HA       ASP  15   7.308  -9.286   2.062
   95    HB2  ASP  15           2HB      ASP  15   8.711  -6.608   2.102
   96    HB3  ASP  15           1HB      ASP  15   9.326  -8.054   2.897
   97    H    ALA  16           H        ALA  16   7.558  -9.647   4.270
   98    HA   ALA  16           HA       ALA  16   5.580  -8.413   5.913
   99    HB1  ALA  16           1HB      ALA  16   7.679 -10.497   6.470
  100    HB2  ALA  16           2HB      ALA  16   5.947 -10.732   6.232
  101    HB3  ALA  16           3HB      ALA  16   6.535  -9.929   7.688
  102    H    GLY  17           H        GLY  17   6.626  -6.239   5.536
  103    HA2  GLY  17           2HA      GLY  17   7.781  -5.336   7.954
  104    HA3  GLY  17           1HA      GLY  17   9.024  -5.442   6.711
  105    H    CYS  18           H        CYS  18   7.336  -4.806   4.519
  106    HA   CYS  18           HA       CYS  18   7.115  -1.931   4.930
  107    HB2  CYS  18           2HB      CYS  18   7.084  -3.580   2.390
  108    HB3  CYS  18           1HB      CYS  18   7.029  -1.822   2.462
  109    H    PHE  19           H        PHE  19   5.215  -1.036   5.205
  110    HA   PHE  19           HA       PHE  19   2.818  -2.599   4.992
  111    HB2  PHE  19           2HB      PHE  19   1.666  -0.616   5.879
  112    HB3  PHE  19           1HB      PHE  19   3.058  -1.050   6.858
  113    HD1  PHE  19           1HD      PHE  19   1.746   1.388   4.414
  114    HD2  PHE  19           2HD      PHE  19   4.879   0.440   7.138
  115    HE1  PHE  19           1HE      PHE  19   2.581   3.692   4.247
  116    HE2  PHE  19           2HE      PHE  19   5.722   2.743   6.973
  117    HZ   PHE  19           HZ       PHE  19   4.572   4.376   5.530
  118    H    CYS  20           H        CYS  20   1.161  -2.382   3.564
  119    HA   CYS  20           HA       CYS  20   1.817  -1.373   0.975
  120    HB2  CYS  20           2HB      CYS  20   0.396  -3.397   1.405
  121    HB3  CYS  20           1HB      CYS  20  -0.864  -2.328   2.007
  122    H    ARG  21           H        ARG  21   1.806   0.754   0.570
  123    HA   ARG  21           HA       ARG  21  -0.027   2.474   2.048
  124    HB2  ARG  21           2HB      ARG  21   2.475   2.962   1.690
  125    HB3  ARG  21           1HB      ARG  21   2.021   3.394   0.048
  126    HG2  ARG  21           2HG      ARG  21   0.228   4.844   1.438
  127    HG3  ARG  21           1HG      ARG  21   1.574   4.824   2.575
  128    HD2  ARG  21           2HD      ARG  21   2.060   6.697   1.313
  129    HD3  ARG  21           1HD      ARG  21   2.988   5.455   0.472
  130    HE   ARG  21           HE       ARG  21   0.366   5.702  -0.618
  131   HH11  ARG  21          1HH1      ARG  21   3.535   7.197  -0.635
  132   HH12  ARG  21          2HH1      ARG  21   3.291   7.993  -2.153
  133   HH21  ARG  21          1HH2      ARG  21   0.030   6.762  -2.603
  134   HH22  ARG  21          2HH2      ARG  21   1.288   7.742  -3.282
  135    HA   PRO  22           HA       PRO  22  -2.741   2.635  -1.470
  136    HB2  PRO  22           2HB      PRO  22  -4.372   4.599  -0.557
  137    HB3  PRO  22           1HB      PRO  22  -4.468   2.931   0.011
  138    HG2  PRO  22           2HG      PRO  22  -3.258   5.314   1.323
  139    HG3  PRO  22           1HG      PRO  22  -4.109   3.942   2.051
  140    HD2  PRO  22           2HD      PRO  22  -1.366   4.252   2.015
  141    HD3  PRO  22           1HD      PRO  22  -2.199   2.700   2.202
  142    H    ASP  23           H        ASP  23  -3.306   4.156  -3.137
  143    HA   ASP  23           HA       ASP  23  -1.207   5.862  -3.876
  144    HB2  ASP  23           2HB      ASP  23  -2.924   4.814  -5.405
  145    HB3  ASP  23           1HB      ASP  23  -4.051   6.058  -4.870
  146    H    GLY  24           H        GLY  24  -4.476   6.691  -2.725
  147    HA2  GLY  24           2HA      GLY  24  -3.422   8.958  -1.295
  148    HA3  GLY  24           1HA      GLY  24  -4.428   9.384  -2.673
  149    H    VAL  25           H        VAL  25  -6.126  10.235  -1.587
  150    HA   VAL  25           HA       VAL  25  -7.336   8.851   0.622
  151    HB   VAL  25           HB       VAL  25  -9.042  10.688   0.526
  152   HG11  VAL  25          1HG1      VAL  25  -6.194  11.667   0.616
  153   HG12  VAL  25          2HG1      VAL  25  -6.976  10.764   1.914
  154   HG13  VAL  25          3HG1      VAL  25  -7.588  12.352   1.452
  155   HG21  VAL  25          3HG2      VAL  25  -8.911  12.456  -0.970
  156   HG22  VAL  25          1HG2      VAL  25  -8.544  11.069  -1.994
  157   HG23  VAL  25          2HG2      VAL  25  -7.240  12.099  -1.404
  158    H    GLY  26           H        GLY  26  -8.995   7.530   0.594
  159    HA2  GLY  26           2HA      GLY  26 -10.767   6.270  -0.129
  160    HA3  GLY  26           1HA      GLY  26 -11.088   7.537  -1.300
  161    H    ILE  27           H        ILE  27  -8.070   5.738  -1.162
  162    HA   ILE  27           HA       ILE  27  -8.888   4.293  -3.591
  163    HB   ILE  27           HB       ILE  27  -6.101   5.353  -3.184
  164   HG12  ILE  27          2HG1      ILE  27  -8.306   6.549  -4.881
  165   HG13  ILE  27          1HG1      ILE  27  -7.683   7.248  -3.391
  166   HG21  ILE  27          1HG2      ILE  27  -5.570   4.373  -5.132
  167   HG22  ILE  27          2HG2      ILE  27  -7.115   4.786  -5.875
  168   HG23  ILE  27          3HG2      ILE  27  -6.994   3.382  -4.816
  169   HD11  ILE  27          3HD1      ILE  27  -6.007   6.767  -5.839
  170   HD12  ILE  27          1HD1      ILE  27  -5.570   7.684  -4.397
  171   HD13  ILE  27          2HD1      ILE  27  -6.824   8.289  -5.481
  172    H    VAL  28           H        VAL  28  -8.433   2.199  -3.585
  173    HA   VAL  28           HA       VAL  28  -7.208   1.059  -1.209
  174    HB   VAL  28           HB       VAL  28  -7.954  -1.133  -2.156
  175   HG11  VAL  28          1HG1      VAL  28 -10.520  -0.038  -2.191
  176   HG12  VAL  28          2HG1      VAL  28  -9.570   1.042  -1.170
  177   HG13  VAL  28          3HG1      VAL  28  -9.654  -0.679  -0.795
  178   HG21  VAL  28          3HG2      VAL  28  -8.158   0.293  -4.530
  179   HG22  VAL  28          1HG2      VAL  28  -9.830   0.007  -4.047
  180   HG23  VAL  28          2HG2      VAL  28  -8.723  -1.353  -4.238
  181    H    ALA  29           H        ALA  29  -6.523   1.474  -4.590
  182    HA   ALA  29           HA       ALA  29  -4.309  -0.387  -4.567
  183    HB1  ALA  29           1HB      ALA  29  -3.953   0.410  -6.892
  184    HB2  ALA  29           2HB      ALA  29  -5.297   1.532  -6.673
  185    HB3  ALA  29           3HB      ALA  29  -5.579  -0.209  -6.599
  186    H    GLY  30           H        GLY  30  -2.104   0.222  -4.857
  187    HA2  GLY  30           2HA      GLY  30  -1.258   2.933  -4.852
  188    HA3  GLY  30           1HA      GLY  30  -1.230   2.293  -3.216
  189    H    VAL  31           H        VAL  31   0.886   2.101  -2.809
  190    HA   VAL  31           HA       VAL  31   2.351   0.082  -4.287
  191    HB   VAL  31           HB       VAL  31   2.890   2.154  -5.512
  192   HG11  VAL  31          1HG1      VAL  31   4.525   3.695  -4.089
  193   HG12  VAL  31          2HG1      VAL  31   3.470   3.151  -2.785
  194   HG13  VAL  31          3HG1      VAL  31   2.788   3.986  -4.181
  195   HG21  VAL  31          3HG2      VAL  31   4.821   0.431  -4.203
  196   HG22  VAL  31          1HG2      VAL  31   5.504   2.001  -4.623
  197   HG23  VAL  31          2HG2      VAL  31   4.760   1.001  -5.871
  198    H    CYS  32           H        CYS  32   3.907  -0.925  -3.049
  199    HA   CYS  32           HA       CYS  32   3.679  -0.580  -0.217
  200    HB2  CYS  32           2HB      CYS  32   4.080  -2.761  -1.600
  201    HB3  CYS  32           1HB      CYS  32   5.773  -2.285  -1.533
  202    H    VAL  33           H        VAL  33   5.100   0.387   1.164
  203    HA   VAL  33           HA       VAL  33   6.952   2.259   0.057
  204    HB   VAL  33           HB       VAL  33   7.433   2.881   2.389
  205   HG11  VAL  33          1HG1      VAL  33   4.900   2.995   1.064
  206   HG12  VAL  33          2HG1      VAL  33   5.663   4.190   2.113
  207   HG13  VAL  33          3HG1      VAL  33   4.653   2.923   2.809
  208   HG21  VAL  33          3HG2      VAL  33   7.090   1.501   4.099
  209   HG22  VAL  33          1HG2      VAL  33   6.586   0.266   2.944
  210   HG23  VAL  33          2HG2      VAL  33   5.386   1.331   3.677
  Start of MODEL   20
    1    H1   GLY   1           1HT      GLY   1  10.674  -0.921   2.330
    2    H2   GLY   1           2HT      GLY   1  10.399   0.710   1.953
    3    H3   GLY   1           3HT      GLY   1  11.823   0.248   2.751
    4    HA2  GLY   1           1HA      GLY   1  11.486   0.563   0.052
    5    HA3  GLY   1           2HA      GLY   1  12.868  -0.168   0.859
    6    H    CYS   2           H        CYS   2   9.491  -1.232   0.421
    7    HA   CYS   2           HA       CYS   2  10.572  -3.690  -0.819
    8    HB2  CYS   2           2HB      CYS   2   8.023  -3.465   0.786
    9    HB3  CYS   2           1HB      CYS   2   8.789  -4.934   0.197
   10    H    ALA   3           H        ALA   3   9.822  -1.295  -2.216
   11    HA   ALA   3           HA       ALA   3   7.213  -1.720  -3.349
   12    HB1  ALA   3           1HB      ALA   3   8.069   0.538  -3.125
   13    HB2  ALA   3           2HB      ALA   3   7.732   0.147  -4.812
   14    HB3  ALA   3           3HB      ALA   3   9.395   0.150  -4.222
   15    H    GLY   4           H        GLY   4   8.341  -3.999  -3.692
   16    HA2  GLY   4           2HA      GLY   4   9.819  -4.355  -6.106
   17    HA3  GLY   4           1HA      GLY   4   8.954  -5.616  -5.230
   18    H    LYS   5           H        LYS   5   6.432  -4.494  -5.233
   19    HA   LYS   5           HA       LYS   5   5.640  -3.984  -7.972
   20    HB2  LYS   5           2HB      LYS   5   4.641  -6.396  -6.426
   21    HB3  LYS   5           1HB      LYS   5   3.888  -5.781  -7.886
   22    HG2  LYS   5           2HG      LYS   5   6.683  -6.882  -7.671
   23    HG3  LYS   5           1HG      LYS   5   5.284  -7.712  -8.358
   24    HD2  LYS   5           2HD      LYS   5   5.139  -6.143 -10.150
   25    HD3  LYS   5           1HD      LYS   5   6.332  -5.085  -9.395
   26    HE2  LYS   5           2HE      LYS   5   7.968  -7.002  -9.602
   27    HE3  LYS   5           1HE      LYS   5   6.770  -7.795 -10.624
   28    HZ1  LYS   5           3HZ      LYS   5   8.353  -6.616 -11.975
   29    HZ2  LYS   5           1HZ      LYS   5   8.061  -5.172 -11.141
   30    HZ3  LYS   5           2HZ      LYS   5   6.846  -5.855 -12.101
   31    H    ALA   6           H        ALA   6   3.681  -2.896  -8.077
   32    HA   ALA   6           HA       ALA   6   2.907  -1.356  -5.894
   33    HB1  ALA   6           1HB      ALA   6   1.038  -1.995  -8.157
   34    HB2  ALA   6           2HB      ALA   6   2.458  -0.976  -8.393
   35    HB3  ALA   6           3HB      ALA   6   1.205  -0.492  -7.250
   36    H    CYS   7           H        CYS   7   1.735  -1.803  -4.159
   37    HA   CYS   7           HA       CYS   7   0.367  -4.354  -3.968
   38    HB2  CYS   7           2HB      CYS   7   1.884  -3.592  -2.163
   39    HB3  CYS   7           1HB      CYS   7   0.819  -2.224  -1.869
   40    H    ASN   8           H        ASN   8  -1.692  -4.501  -4.514
   41    HA   ASN   8           HA       ASN   8  -3.387  -2.110  -4.365
   42    HB2  ASN   8           2HB      ASN   8  -3.107  -3.441  -6.523
   43    HB3  ASN   8           1HB      ASN   8  -4.027  -4.714  -5.746
   44   HD21  ASN   8          1HD2      ASN   8  -5.115  -1.724  -4.683
   45   HD22  ASN   8          2HD2      ASN   8  -6.451  -1.553  -5.765
   46    H    LEU   9           H        LEU   9  -2.624  -4.738  -2.551
   47    HA   LEU   9           HA       LEU   9  -3.476  -5.667  -0.674
   48    HB2  LEU   9           2HB      LEU   9  -5.571  -3.547  -1.062
   49    HB3  LEU   9           1HB      LEU   9  -5.702  -4.733   0.218
   50    HG   LEU   9           HG       LEU   9  -4.787  -2.793   1.201
   51   HD11  LEU   9          1HD1      LEU   9  -3.599  -5.127   1.482
   52   HD12  LEU   9          2HD1      LEU   9  -2.982  -3.671   2.264
   53   HD13  LEU   9          3HD1      LEU   9  -2.243  -4.253   0.772
   54   HD21  LEU   9          3HD2      LEU   9  -2.363  -2.218   0.012
   55   HD22  LEU   9          1HD2      LEU   9  -3.850  -1.283  -0.136
   56   HD23  LEU   9          2HD2      LEU   9  -3.446  -2.493  -1.352
   57    H    LEU  10           H        LEU  10  -5.924  -5.162  -3.170
   58    HA   LEU  10           HA       LEU  10  -7.767  -7.101  -2.570
   59    HB2  LEU  10           2HB      LEU  10  -6.773  -6.327  -5.312
   60    HB3  LEU  10           1HB      LEU  10  -8.284  -7.153  -4.976
   61    HG   LEU  10           HG       LEU  10  -7.580  -4.355  -4.079
   62   HD11  LEU  10          1HD1      LEU  10  -7.964  -4.138  -6.348
   63   HD12  LEU  10          2HD1      LEU  10  -9.572  -3.886  -5.669
   64   HD13  LEU  10          3HD1      LEU  10  -9.149  -5.445  -6.378
   65   HD21  LEU  10          3HD2      LEU  10  -9.065  -5.499  -2.507
   66   HD22  LEU  10          1HD2      LEU  10 -10.159  -5.900  -3.831
   67   HD23  LEU  10          2HD2      LEU  10  -9.909  -4.215  -3.372
   68    H    GLY  11           H        GLY  11  -4.690  -7.544  -4.257
   69    HA2  GLY  11           2HA      GLY  11  -4.738 -10.361  -3.589
   70    HA3  GLY  11           1HA      GLY  11  -4.833 -10.020  -5.312
   71    H    LEU  12           H        LEU  12  -3.030  -8.334  -2.791
   72    HA   LEU  12           HA       LEU  12  -0.506  -9.451  -3.341
   73    HB2  LEU  12           2HB      LEU  12  -1.033  -8.135  -5.493
   74    HB3  LEU  12           1HB      LEU  12  -0.849  -6.691  -4.522
   75    HG   LEU  12           HG       LEU  12   1.144  -7.421  -5.936
   76   HD11  LEU  12          1HD1      LEU  12   1.249  -6.717  -3.043
   77   HD12  LEU  12          2HD1      LEU  12   1.695  -5.760  -4.458
   78   HD13  LEU  12          3HD1      LEU  12   2.748  -7.063  -3.906
   79   HD21  LEU  12          3HD2      LEU  12   1.253  -9.526  -3.788
   80   HD22  LEU  12          1HD2      LEU  12   2.624  -9.093  -4.810
   81   HD23  LEU  12          2HD2      LEU  12   1.163  -9.767  -5.533
   82    H    THR  13           H        THR  13   0.882  -8.850  -1.736
   83    HA   THR  13           HA       THR  13   0.690  -6.361  -0.364
   84    HB   THR  13           HB       THR  13  -1.233  -7.640   0.645
   85    HG1  THR  13           1HG      THR  13  -0.102  -5.983   1.806
   86   HG21  THR  13          3HG2      THR  13   1.005  -9.438   1.559
   87   HG22  THR  13          1HG2      THR  13  -0.465  -9.880   0.691
   88   HG23  THR  13          2HG2      THR  13  -0.557  -9.366   2.375
   89    H    CYS  14           H        CYS  14   2.515  -5.986   0.901
   90    HA   CYS  14           HA       CYS  14   4.679  -7.890   0.456
   91    HB2  CYS  14           2HB      CYS  14   4.783  -5.030   1.427
   92    HB3  CYS  14           1HB      CYS  14   6.170  -6.030   1.003
   93    H    ASP  15           H        ASP  15   6.358  -8.035   2.183
   94    HA   ASP  15           HA       ASP  15   5.359  -9.245   4.470
   95    HB2  ASP  15           2HB      ASP  15   8.102  -8.009   4.158
   96    HB3  ASP  15           1HB      ASP  15   7.648  -9.297   5.266
   97    H    ALA  16           H        ALA  16   5.536  -8.665   6.690
   98    HA   ALA  16           HA       ALA  16   4.405  -6.214   7.361
   99    HB1  ALA  16           1HB      ALA  16   4.417  -8.354   8.714
  100    HB2  ALA  16           2HB      ALA  16   4.628  -6.855   9.618
  101    HB3  ALA  16           3HB      ALA  16   6.022  -7.879   9.272
  102    H    GLY  17           H        GLY  17   5.213  -4.271   7.398
  103    HA2  GLY  17           2HA      GLY  17   7.063  -2.993   8.666
  104    HA3  GLY  17           1HA      GLY  17   8.120  -3.887   7.574
  105    H    CYS  18           H        CYS  18   7.078  -3.828   5.221
  106    HA   CYS  18           HA       CYS  18   7.012  -0.999   4.510
  107    HB2  CYS  18           2HB      CYS  18   7.151  -3.475   2.777
  108    HB3  CYS  18           1HB      CYS  18   7.225  -1.818   2.190
  109    H    PHE  19           H        PHE  19   4.915  -0.730   5.476
  110    HA   PHE  19           HA       PHE  19   2.615  -2.097   4.806
  111    HB2  PHE  19           2HB      PHE  19   1.366  -0.125   5.550
  112    HB3  PHE  19           1HB      PHE  19   2.689  -0.499   6.643
  113    HD1  PHE  19           2HD      PHE  19   1.516   1.858   4.036
  114    HD2  PHE  19           1HD      PHE  19   4.445   1.042   7.025
  115    HE1  PHE  19           2HE      PHE  19   2.301   4.180   3.888
  116    HE2  PHE  19           1HE      PHE  19   5.227   3.370   6.889
  117    HZ   PHE  19           HZ       PHE  19   4.160   4.940   5.321
  118    H    CYS  20           H        CYS  20   1.065  -1.949   3.296
  119    HA   CYS  20           HA       CYS  20   1.816  -1.010   0.711
  120    HB2  CYS  20           2HB      CYS  20  -0.792  -2.106   1.782
  121    HB3  CYS  20           1HB      CYS  20  -0.495  -1.747   0.084
  122    H    ARG  21           H        ARG  21   2.098   1.231   0.945
  123    HA   ARG  21           HA       ARG  21   0.054   2.889   2.032
  124    HB2  ARG  21           2HB      ARG  21   2.438   3.547   1.995
  125    HB3  ARG  21           1HB      ARG  21   2.363   3.659   0.240
  126    HG2  ARG  21           2HG      ARG  21   0.449   5.318   0.647
  127    HG3  ARG  21           1HG      ARG  21   1.056   5.379   2.299
  128    HD2  ARG  21           2HD      ARG  21   3.078   6.332   1.655
  129    HD3  ARG  21           1HD      ARG  21   2.910   5.795  -0.018
  130    HE   ARG  21           HE       ARG  21   1.876   8.211   1.141
  131   HH11  ARG  21          1HH1      ARG  21   1.573   5.934  -1.499
  132   HH12  ARG  21          2HH1      ARG  21   0.543   6.960  -2.443
  133   HH21  ARG  21          1HH2      ARG  21   0.526   9.588  -0.134
  134   HH22  ARG  21          2HH2      ARG  21  -0.059   9.027  -1.669
  135    HA   PRO  22           HA       PRO  22  -2.507   2.864  -1.626
  136    HB2  PRO  22           2HB      PRO  22  -4.365   4.591  -0.654
  137    HB3  PRO  22           1HB      PRO  22  -4.316   2.883  -0.215
  138    HG2  PRO  22           2HG      PRO  22  -3.338   5.264   1.302
  139    HG3  PRO  22           1HG      PRO  22  -4.165   3.815   1.903
  140    HD2  PRO  22           2HD      PRO  22  -1.467   4.196   2.101
  141    HD3  PRO  22           1HD      PRO  22  -2.220   2.594   1.986
  142    H    ASP  23           H        ASP  23  -3.097   4.401  -3.240
  143    HA   ASP  23           HA       ASP  23  -1.192   6.326  -3.834
  144    HB2  ASP  23           2HB      ASP  23  -2.736   5.373  -5.496
  145    HB3  ASP  23           1HB      ASP  23  -4.074   6.247  -4.759
  146    H    GLY  24           H        GLY  24  -4.474   6.898  -2.585
  147    HA2  GLY  24           2HA      GLY  24  -3.506   9.108  -1.007
  148    HA3  GLY  24           1HA      GLY  24  -4.592   9.562  -2.312
  149    H    VAL  25           H        VAL  25  -6.331  10.194  -1.133
  150    HA   VAL  25           HA       VAL  25  -7.335   8.539   1.002
  151    HB   VAL  25           HB       VAL  25  -9.155  10.255   1.158
  152   HG11  VAL  25          1HG1      VAL  25  -7.360  12.149   1.695
  153   HG12  VAL  25          2HG1      VAL  25  -6.263  10.781   1.517
  154   HG13  VAL  25          3HG1      VAL  25  -7.563  10.719   2.707
  155   HG21  VAL  25          3HG2      VAL  25  -8.341  12.462  -0.080
  156   HG22  VAL  25          1HG2      VAL  25  -9.455  11.320  -0.833
  157   HG23  VAL  25          2HG2      VAL  25  -7.741  11.278  -1.243
  158    H    GLY  26           H        GLY  26  -8.908   7.119   0.907
  159    HA2  GLY  26           2HA      GLY  26 -10.630   5.820   0.135
  160    HA3  GLY  26           1HA      GLY  26 -11.087   7.172  -0.886
  161    H    ILE  27           H        ILE  27  -7.984   5.513  -1.023
  162    HA   ILE  27           HA       ILE  27  -8.802   4.330  -3.589
  163    HB   ILE  27           HB       ILE  27  -6.062   5.471  -3.075
  164   HG12  ILE  27          2HG1      ILE  27  -8.337   6.674  -4.670
  165   HG13  ILE  27          1HG1      ILE  27  -7.753   7.276  -3.123
  166   HG21  ILE  27          1HG2      ILE  27  -7.309   4.752  -5.710
  167   HG22  ILE  27          2HG2      ILE  27  -6.397   3.590  -4.747
  168   HG23  ILE  27          3HG2      ILE  27  -5.608   5.049  -5.347
  169   HD11  ILE  27          3HD1      ILE  27  -6.971   8.554  -5.106
  170   HD12  ILE  27          1HD1      ILE  27  -6.066   7.126  -5.608
  171   HD13  ILE  27          2HD1      ILE  27  -5.674   7.929  -4.087
  172    H    VAL  28           H        VAL  28  -8.243   2.281  -3.874
  173    HA   VAL  28           HA       VAL  28  -7.015   0.873  -1.651
  174    HB   VAL  28           HB       VAL  28  -7.677  -1.191  -2.889
  175   HG11  VAL  28          1HG1      VAL  28  -9.334  -0.823  -1.412
  176   HG12  VAL  28          2HG1      VAL  28 -10.265  -0.374  -2.842
  177   HG13  VAL  28          3HG1      VAL  28  -9.495   0.875  -1.863
  178   HG21  VAL  28          3HG2      VAL  28  -8.360  -1.160  -5.012
  179   HG22  VAL  28          1HG2      VAL  28  -7.852   0.529  -5.067
  180   HG23  VAL  28          2HG2      VAL  28  -9.527   0.123  -4.686
  181    H    ALA  29           H        ALA  29  -6.300   1.745  -4.940
  182    HA   ALA  29           HA       ALA  29  -4.127  -0.068  -5.281
  183    HB1  ALA  29           1HB      ALA  29  -5.148   2.307  -6.782
  184    HB2  ALA  29           2HB      ALA  29  -5.005   0.629  -7.303
  185    HB3  ALA  29           3HB      ALA  29  -3.563   1.635  -7.168
  186    H    GLY  30           H        GLY  30  -1.999   0.196  -4.828
  187    HA2  GLY  30           2HA      GLY  30  -0.861   2.772  -4.296
  188    HA3  GLY  30           1HA      GLY  30  -1.134   1.852  -2.823
  189    H    VAL  31           H        VAL  31   1.148   1.876  -2.500
  190    HA   VAL  31           HA       VAL  31   2.426  -0.399  -3.753
  191    HB   VAL  31           HB       VAL  31   3.004   1.492  -5.257
  192   HG11  VAL  31          1HG1      VAL  31   4.566   2.628  -2.949
  193   HG12  VAL  31          2HG1      VAL  31   2.988   3.233  -3.455
  194   HG13  VAL  31          3HG1      VAL  31   4.360   3.314  -4.561
  195   HG21  VAL  31          3HG2      VAL  31   5.236   0.892  -5.535
  196   HG22  VAL  31          1HG2      VAL  31   4.531  -0.499  -4.712
  197   HG23  VAL  31          2HG2      VAL  31   5.492   0.668  -3.804
  198    H    CYS  32           H        CYS  32   4.074  -1.281  -2.484
  199    HA   CYS  32           HA       CYS  32   3.937  -0.690   0.295
  200    HB2  CYS  32           2HB      CYS  32   5.986  -2.386  -1.144
  201    HB3  CYS  32           1HB      CYS  32   5.560  -2.462   0.563
  202    H    VAL  33           H        VAL  33   5.273   0.521   1.544
  203    HA   VAL  33           HA       VAL  33   7.010   2.384   0.257
  204    HB   VAL  33           HB       VAL  33   7.491   3.226   2.515
  205   HG11  VAL  33          1HG1      VAL  33   4.592   2.668   1.912
  206   HG12  VAL  33          2HG1      VAL  33   5.539   4.070   1.410
  207   HG13  VAL  33          3HG1      VAL  33   5.152   3.831   3.114
  208   HG21  VAL  33          3HG2      VAL  33   7.098   2.098   4.419
  209   HG22  VAL  33          1HG2      VAL  33   7.039   0.678   3.375
  210   HG23  VAL  33          2HG2      VAL  33   5.544   1.485   3.852