*HEADER    TOXIN                                   20-JAN-13   2M3I              
*TITLE     CHARACTERIZATION OF A NOVEL ALPHA4/6-CONOTOXIN TXIC FROM CONUS TEXTILE
*TITLE    2 THAT POTENTLY BLOCKS ALPHA3BETA4 NICOTINIC ACETYLCHOLINE RECEPTORS   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA-CONOTOXIN;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS LIVIDUS;                                  
*SOURCE   4 ORGANISM_TAXID: 89426                                                
*KEYWDS    ALPHA-CONOTOXIN, ALPHA-HELIX, DISULFIDE BONDS, AMIDATED C-TERMINUS,   
*KEYWDS   2 TOXIN                                                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.LUO, D.ZHANGSUN, X.ZHU, Y.WU, Y.HU, S.CHRISTENSEN, M.AKCAN,         
*AUTHOR   2 D.J.CRAIK, J.M.MCINTOSH                                              
*REVDAT   1   04-DEC-13 2M3I    0                                                


# H proton - H proton

assign (resid   5 and name   HN)   (resid   5 and name  HB1)   2.470    0.670    0.670  
assign (resid   5 and name   HN)   (resid   5 and name  HB2)   2.470    0.670    0.670  
assign (resid  15 and name   HN)   (resid  15 and name  HB1)   2.550    0.750    0.750  
assign (resid  15 and name   HN)   (resid  15 and name  HB2)   2.550    0.750    0.750  
assign (resid  14 and name   HB)   (resid  15 and name   HN)   2.705    0.905    0.905  
assign (resid  14 and name   HN)   (resid  14 and name   HB)   2.300    0.500    0.500  
assign (resid  14 and name   HA)   (resid  15 and name   HN)   2.455    0.655    0.655  
assign (resid  14 and name   HN)   (resid  14 and name   HA)   2.300    0.500    0.500  
assign (resid  14 and name   HN)   (resid  15 and name   HN)   2.270    0.470    0.470  
assign (resid  12 and name   HN)   (resid  12 and name  HB1)   2.365    0.565    0.565  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.365    0.565    0.565  
assign (resid  13 and name   HA)   (resid  14 and name   HN)   2.565    0.765    0.765  
assign (resid  12 and name   HA)   (resid  14 and name   HN)   2.905    1.105    1.105  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.535    0.735    0.735  
assign (resid  11 and name   HN)   (resid  11 and name  HB2)   2.765    0.965    0.965  
assign (resid  11 and name   HN)   (resid  11 and name  HB1)   2.765    0.965    0.965  
assign (resid  11 and name  HB1)   (resid  12 and name   HN)   3.000    1.200    1.200  
assign (resid  11 and name  HB2)   (resid  12 and name   HN)   3.000    1.200    1.200  
assign (resid   4 and name   HN)   (resid   5 and name   HN)   2.315    0.515    0.515  
assign (resid   3 and name   HN)   (resid   3 and name  HB1)   2.660    0.860    0.860  
assign (resid   3 and name   HN)   (resid   3 and name  HB2)   2.660    0.860    0.860  
assign (resid   3 and name  HB2)   (resid   4 and name   HN)   2.890    1.090    1.090  
assign (resid   3 and name  HB1)   (resid   4 and name   HN)   2.890    1.090    1.090  
assign (resid   3 and name   HN)   (resid   3 and name   HA)   2.285    0.485    0.485  
assign (resid   2 and name  HB1)   (resid   3 and name   HN)   2.625    0.825    0.825  
assign (resid   2 and name  HB2)   (resid   3 and name   HN)   2.625    0.825    0.825  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.975    1.175    1.175  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   3.315    1.515    1.515  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.640    0.840    0.840  
assign (resid   7 and name   HN)   (resid   7 and name   HB)   2.735    0.935    0.935  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.660    0.860    0.860  
assign (resid   9 and name   HN)   (resid   9 and name   HA)   2.255    0.455    0.455  
assign (resid   9 and name   HN)   (resid   9 and name  HB#)   2.835    1.035    1.035  
assign (resid   9 and name   HN)   (resid  10 and name   HN)   2.410    0.610    0.610  
assign (resid   9 and name   HA)   (resid  12 and name   HN)   2.815    1.015    1.015  
assign (resid  10 and name   HA)   (resid  12 and name   HN)   3.125    1.325    1.325  
assign (resid   5 and name   HN)   (resid   9 and name   HA)   3.260    1.460    1.460  
assign (resid   8 and name   HN)   (resid   9 and name   HN)   2.145    0.345    0.345  
assign (resid   8 and name   HN)   (resid   8 and name  HB2)   2.905    1.105    1.105  
assign (resid   8 and name   HN)   (resid   8 and name  HB1)   2.905    1.105    1.105  
assign (resid  13 and name   HA)   (resid  15 and name   HN)   2.845    1.045    1.045  
assign (resid   2 and name   HN)   (resid   2 and name  HB2)   2.535    0.735    0.735  
assign (resid   2 and name   HN)   (resid   2 and name  HB1)   2.535    0.735    0.735  
assign (resid   2 and name   HN)   (resid   3 and name   HN)   2.690    0.890    0.890  
assign (resid  14 and name HG11)   (resid  15 and name   HN)   3.650    1.850    1.850  
assign (resid  14 and name HG12)   (resid  15 and name   HN)   3.650    1.850    1.850  
assign (resid   5 and name   HA)   (resid   5 and name  HD2)   3.465    1.665    1.665  
assign (resid  13 and name  HD#)   (resid  14 and name   HN)   3.395    1.595    1.595  
assign (resid  11 and name   HN)   (resid  11 and name  HG1)   3.355    1.555    1.555  
assign (resid  11 and name   HN)   (resid  11 and name  HG2)   3.355    1.555    1.555  
assign (resid   3 and name   HA)   (resid   9 and name  HB#)   3.595    1.795    1.795  
assign (resid  14 and name HG2#)   (resid  15 and name   HN)   3.820    2.020    2.020  
assign (resid  14 and name   HN)   (resid  14 and name HG2#)   3.200    1.400    1.400  
assign (resid   7 and name   HA)   (resid  10 and name  HB#)   3.525    1.725    1.725  
assign (resid  10 and name   HN)   (resid  10 and name  HB#)   2.980    1.180    1.180  
assign (resid   9 and name   HN)   (resid  10 and name  HB#)   4.160    2.360    2.360  
assign (resid   2 and name   HN)   (resid   2 and name  HB#)   2.285    0.485    0.485  
assign (resid   2 and name  HB#)   (resid   4 and name   HN)   2.975    1.175    1.175  
assign (resid   2 and name  HB#)   (resid   8 and name  HB#)   2.145    0.345    0.345  
assign (resid   3 and name   HN)   (resid   3 and name  HB#)   2.305    0.505    0.505  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   2.620    0.820    0.820  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.235    0.435    0.435  
assign (resid   5 and name   HA)   (resid   6 and name  HD#)   2.210    0.410    0.410  
assign (resid   5 and name  HB#)   (resid   5 and name  HD2)   2.515    0.715    0.715  
assign (resid   5 and name  HB#)   (resid   6 and name  HD#)   2.705    0.905    0.905  
assign (resid   8 and name   HN)   (resid   8 and name  HB#)   2.590    0.790    0.790  
assign (resid   8 and name  HB#)   (resid   9 and name   HN)   2.380    0.580    0.580  
assign (resid   9 and name   HA)   (resid  15 and name  HB#)   3.080    1.280    1.280  
assign (resid  10 and name   HA)   (resid  13 and name  HG#)   3.105    1.305    1.305  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.360    0.560    0.560  
assign (resid  11 and name   HN)   (resid  11 and name  HG#)   3.025    1.225    1.225  
assign (resid  11 and name  HB#)   (resid  12 and name   HN)   2.700    0.900    0.900  
assign (resid  12 and name   HA)   (resid  12 and name  HB#)   2.090    0.290    0.290  
assign (resid  12 and name  HB#)   (resid  14 and name   HN)   2.750    0.950    0.950  
assign (resid  12 and name  HB#)   (resid  15 and name   HN)   2.710    0.910    0.910  
assign (resid  13 and name  HG#)   (resid  14 and name   HN)   2.555    0.755    0.755  
assign (resid  14 and name   HN)   (resid  14 and name HG1#)   2.520    0.720    0.720  
assign (resid  15 and name   HN)   (resid  15 and name  HB#)   2.185    0.385    0.385  

# Dihedral angles

assign (resid  3 and name C)(resid 4 and name N)
       (resid  4 and name CA)(resid 4 and name C) 1 -120 40 2
assign (resid  6 and name C)(resid 7 and name N)
       (resid  7 and name CA)(resid 7 and name C) 1 -60 30 2
assign (resid  8 and name C)(resid 9 and name N)
       (resid  9 and name CA)(resid 9 and name C) 1 -60 30 2
assign (resid 11 and name C)(resid 12 and name N)
       (resid 12 and name CA)(resid 12 and name C) 1 -120 40 2
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

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1  -4.886   8.470  -1.632
    2    H2   GLY   1           H2       GLY   1  -4.645   7.023  -0.763
    3    H3   GLY   1           H3       GLY   1  -5.919   7.153  -1.839
    4    HA2  GLY   1           HA2      GLY   1  -4.473   7.269  -3.711
    5    HA3  GLY   1           HA3      GLY   1  -3.080   7.228  -2.635
    6    H    CYS   2           H        CYS   2  -2.609   5.271  -4.054
    7    HA   CYS   2           HA       CYS   2  -4.230   2.928  -3.855
    8    HB2  CYS   2           HB2      CYS   2  -2.211   3.601  -5.476
    9    HB3  CYS   2           HB3      CYS   2  -1.271   2.844  -4.203
   10    H    CYS   3           H        CYS   3  -1.436   4.262  -2.175
   11    HA   CYS   3           HA       CYS   3  -0.880   2.120  -0.468
   12    HB2  CYS   3           HB2      CYS   3  -0.334   5.045  -0.162
   13    HB3  CYS   3           HB3      CYS   3   0.412   3.738   0.755
   14    H    SER   4           H        SER   4  -3.493   3.940  -0.488
   15    HA   SER   4           HA       SER   4  -4.042   3.942   2.398
   16    HB2  SER   4           HB2      SER   4  -5.839   4.877   0.150
   17    HB3  SER   4           HB3      SER   4  -5.940   5.305   1.860
   18    HG   SER   4           HG       SER   4  -3.972   6.360   1.659
   19    H    HIS   5           H        HIS   5  -4.038   1.663   0.098
   20    HA   HIS   5           HA       HIS   5  -6.462   0.393   1.063
   21    HB2  HIS   5           HB2      HIS   5  -6.911   1.365  -1.161
   22    HB3  HIS   5           HB3      HIS   5  -5.545   0.485  -1.825
   23    HD1  HIS   5           HD1      HIS   5  -8.913  -0.271  -0.190
   24    HD2  HIS   5           HD2      HIS   5  -6.179  -1.884  -2.850
   25    HE1  HIS   5           HE1      HIS   5  -9.966  -2.398  -1.046
   26    HA   PRO   6           HA       PRO   6  -3.998  -2.781   2.766
   27    HB2  PRO   6           HB2      PRO   6  -5.895  -4.386   1.105
   28    HB3  PRO   6           HB3      PRO   6  -5.291  -4.707   2.737
   29    HG2  PRO   6           HG2      PRO   6  -7.664  -3.499   2.318
   30    HG3  PRO   6           HG3      PRO   6  -6.633  -3.112   3.704
   31    HD2  PRO   6           HD2      PRO   6  -7.317  -1.455   1.408
   32    HD3  PRO   6           HD3      PRO   6  -6.492  -0.985   2.908
   33    H    VAL   7           H        VAL   7  -4.749  -3.574  -0.661
   34    HA   VAL   7           HA       VAL   7  -2.508  -5.263  -0.818
   35    HB   VAL   7           HB       VAL   7  -2.894  -5.344  -3.298
   36   HG11  VAL   7          HG11      VAL   7  -5.049  -6.507  -3.115
   37   HG12  VAL   7          HG12      VAL   7  -5.295  -5.783  -1.527
   38   HG13  VAL   7          HG13      VAL   7  -3.969  -6.916  -1.782
   39   HG21  VAL   7          HG21      VAL   7  -5.229  -3.569  -2.637
   40   HG22  VAL   7          HG22      VAL   7  -4.898  -4.294  -4.214
   41   HG23  VAL   7          HG23      VAL   7  -3.816  -3.060  -3.557
   42    H    CYS   8           H        CYS   8  -2.852  -1.876  -1.850
   43    HA   CYS   8           HA       CYS   8  -0.224  -1.862  -3.032
   44    HB2  CYS   8           HB2      CYS   8  -1.684   0.591  -2.091
   45    HB3  CYS   8           HB3      CYS   8  -0.568   0.437  -3.436
   46    H    SER   9           H        SER   9  -1.697  -1.138   0.076
   47    HA   SER   9           HA       SER   9   0.356   0.213   1.289
   48    HB2  SER   9           HB2      SER   9  -1.659  -1.641   2.555
   49    HB3  SER   9           HB3      SER   9  -0.809  -0.307   3.340
   50    HG   SER   9           HG       SER   9  -2.238   0.978   2.595
   51    H    ALA  10           H        ALA  10  -0.128  -3.191   0.644
   52    HA   ALA  10           HA       ALA  10   1.992  -4.051   2.434
   53    HB1  ALA  10           HB1      ALA  10   0.353  -5.635   0.454
   54    HB2  ALA  10           HB2      ALA  10  -0.014  -5.447   2.169
   55    HB3  ALA  10           HB3      ALA  10   1.444  -6.304   1.667
   56    H    MET  11           H        MET  11   1.676  -2.958  -0.736
   57    HA   MET  11           HA       MET  11   3.955  -4.338  -1.813
   58    HB2  MET  11           HB2      MET  11   2.623  -1.795  -2.793
   59    HB3  MET  11           HB3      MET  11   3.840  -2.703  -3.674
   60    HG2  MET  11           HG2      MET  11   1.092  -3.678  -2.940
   61    HG3  MET  11           HG3      MET  11   1.609  -3.129  -4.534
   62    HE1  MET  11           HE1      MET  11   0.589  -5.432  -5.464
   63    HE2  MET  11           HE2      MET  11   0.189  -5.945  -3.825
   64    HE3  MET  11           HE3      MET  11   1.095  -7.021  -4.890
   65    H    SER  12           H        SER  12   3.280  -1.180  -0.731
   66    HA   SER  12           HA       SER  12   6.076  -0.911   0.075
   67    HB2  SER  12           HB2      SER  12   5.488   0.397  -1.983
   68    HB3  SER  12           HB3      SER  12   4.351   1.296  -0.982
   69    HG   SER  12           HG       SER  12   6.447   2.257  -1.239
   70    HA   PRO  13           HA       PRO  13   3.506  -0.105   3.727
   71    HB2  PRO  13           HB2      PRO  13   5.340  -0.960   5.552
   72    HB3  PRO  13           HB3      PRO  13   4.258  -2.052   4.697
   73    HG2  PRO  13           HG2      PRO  13   7.141  -1.562   4.277
   74    HG3  PRO  13           HG3      PRO  13   6.170  -3.017   3.975
   75    HD2  PRO  13           HD2      PRO  13   7.044  -1.146   2.072
   76    HD3  PRO  13           HD3      PRO  13   5.837  -2.420   1.814
   77    H    ILE  14           H        ILE  14   6.261   1.224   2.500
   78    HA   ILE  14           HA       ILE  14   6.677   3.020   4.706
   79    HB   ILE  14           HB       ILE  14   8.199   2.853   2.067
   80   HG12  ILE  14          HG12      ILE  14   8.914   1.765   4.801
   81   HG13  ILE  14          HG13      ILE  14   8.387   0.806   3.426
   82   HG21  ILE  14          HG21      ILE  14   9.937   4.171   3.204
   83   HG22  ILE  14          HG22      ILE  14   8.913   4.288   4.634
   84   HG23  ILE  14          HG23      ILE  14   8.415   5.061   3.129
   85   HD11  ILE  14          HD11      ILE  14  10.788   0.671   3.730
   86   HD12  ILE  14          HD12      ILE  14  10.917   2.424   3.601
   87   HD13  ILE  14          HD13      ILE  14  10.405   1.476   2.206
   88    H    CYS  15           H        CYS  15   4.859   2.708   2.109
   89    HA   CYS  15           HA       CYS  15   4.553   5.530   1.455
   90    HB2  CYS  15           HB2      CYS  15   4.723   3.892  -0.397
   91    HB3  CYS  15           HB3      CYS  15   3.300   3.067   0.218
   92    HN1  NH2  16           HN1      NH2  16   3.343   6.478   2.971
   93    HN2  NH2  16           HN2      NH2  16   1.878   5.843   3.636
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1  -5.075   6.653  -0.714
    2    H2   GLY   1           H2       GLY   1  -6.465   6.331  -1.599
    3    H3   GLY   1           H3       GLY   1  -5.824   7.887  -1.621
    4    HA2  GLY   1           HA2      GLY   1  -5.350   6.758  -3.660
    5    HA3  GLY   1           HA3      GLY   1  -3.855   7.001  -2.764
    6    H    CYS   2           H        CYS   2  -3.009   5.179  -3.986
    7    HA   CYS   2           HA       CYS   2  -4.178   2.583  -3.880
    8    HB2  CYS   2           HB2      CYS   2  -2.216   3.682  -5.374
    9    HB3  CYS   2           HB3      CYS   2  -1.249   2.949  -4.106
   10    H    CYS   3           H        CYS   3  -1.709   4.326  -2.018
   11    HA   CYS   3           HA       CYS   3  -1.001   2.100  -0.441
   12    HB2  CYS   3           HB2      CYS   3  -0.431   5.027  -0.052
   13    HB3  CYS   3           HB3      CYS   3   0.274   3.696   0.847
   14    H    SER   4           H        SER   4  -3.600   3.962  -0.439
   15    HA   SER   4           HA       SER   4  -4.227   3.819   2.436
   16    HB2  SER   4           HB2      SER   4  -6.006   4.734   0.180
   17    HB3  SER   4           HB3      SER   4  -6.155   5.128   1.894
   18    HG   SER   4           HG       SER   4  -4.053   6.141   1.648
   19    H    HIS   5           H        HIS   5  -4.107   1.703   0.045
   20    HA   HIS   5           HA       HIS   5  -6.535   0.238   0.741
   21    HB2  HIS   5           HB2      HIS   5  -6.757   1.277  -1.504
   22    HB3  HIS   5           HB3      HIS   5  -5.221   0.586  -1.980
   23    HD1  HIS   5           HD1      HIS   5  -5.927  -0.982  -3.840
   24    HD2  HIS   5           HD2      HIS   5  -8.289  -1.358  -0.438
   25    HE1  HIS   5           HE1      HIS   5  -7.462  -2.910  -4.277
   26    HA   PRO   6           HA       PRO   6  -3.603  -2.599   2.586
   27    HB2  PRO   6           HB2      PRO   6  -5.620  -4.392   1.286
   28    HB3  PRO   6           HB3      PRO   6  -4.810  -4.598   2.847
   29    HG2  PRO   6           HG2      PRO   6  -7.210  -3.545   2.823
   30    HG3  PRO   6           HG3      PRO   6  -5.947  -2.800   3.815
   31    HD2  PRO   6           HD2      PRO   6  -7.155  -1.833   1.283
   32    HD3  PRO   6           HD3      PRO   6  -6.440  -0.916   2.625
   33    H    VAL   7           H        VAL   7  -4.663  -3.314  -0.714
   34    HA   VAL   7           HA       VAL   7  -2.710  -5.172  -1.419
   35    HB   VAL   7           HB       VAL   7  -4.043  -3.128  -3.227
   36   HG11  VAL   7          HG11      VAL   7  -2.089  -4.114  -4.295
   37   HG12  VAL   7          HG12      VAL   7  -3.570  -4.709  -5.047
   38   HG13  VAL   7          HG13      VAL   7  -2.681  -5.731  -3.917
   39   HG21  VAL   7          HG21      VAL   7  -5.628  -4.924  -3.741
   40   HG22  VAL   7          HG22      VAL   7  -5.660  -4.503  -2.029
   41   HG23  VAL   7          HG23      VAL   7  -4.827  -5.963  -2.564
   42    H    CYS   8           H        CYS   8  -2.639  -1.633  -1.924
   43    HA   CYS   8           HA       CYS   8   0.101  -1.827  -2.836
   44    HB2  CYS   8           HB2      CYS   8  -1.306   0.759  -2.291
   45    HB3  CYS   8           HB3      CYS   8  -0.123   0.391  -3.543
   46    H    SER   9           H        SER   9  -1.687  -1.096   0.085
   47    HA   SER   9           HA       SER   9   0.234   0.311   1.448
   48    HB2  SER   9           HB2      SER   9  -1.778  -1.635   2.572
   49    HB3  SER   9           HB3      SER   9  -0.942  -0.383   3.493
   50    HG   SER   9           HG       SER   9  -2.011   1.178   2.305
   51    H    ALA  10           H        ALA  10  -0.224  -3.159   0.992
   52    HA   ALA  10           HA       ALA  10   1.978  -3.893   2.707
   53    HB1  ALA  10           HB1      ALA  10   1.535  -6.153   1.957
   54    HB2  ALA  10           HB2      ALA  10   0.427  -5.541   0.727
   55    HB3  ALA  10           HB3      ALA  10   0.034  -5.359   2.438
   56    H    MET  11           H        MET  11   1.421  -3.323  -0.670
   57    HA   MET  11           HA       MET  11   3.786  -4.359  -1.764
   58    HB2  MET  11           HB2      MET  11   1.927  -3.510  -3.148
   59    HB3  MET  11           HB3      MET  11   2.266  -1.883  -2.585
   60    HG2  MET  11           HG2      MET  11   4.480  -1.995  -3.658
   61    HG3  MET  11           HG3      MET  11   4.075  -3.596  -4.277
   62    HE1  MET  11           HE1      MET  11   5.040  -1.179  -6.124
   63    HE2  MET  11           HE2      MET  11   3.926  -1.331  -7.483
   64    HE3  MET  11           HE3      MET  11   4.632  -2.775  -6.756
   65    H    SER  12           H        SER  12   3.073  -1.216  -0.633
   66    HA   SER  12           HA       SER  12   5.916  -0.852  -0.041
   67    HB2  SER  12           HB2      SER  12   5.075   0.488  -2.017
   68    HB3  SER  12           HB3      SER  12   4.058   1.341  -0.851
   69    HG   SER  12           HG       SER  12   6.845   1.218  -0.962
   70    HA   PRO  13           HA       PRO  13   3.627  -0.171   3.848
   71    HB2  PRO  13           HB2      PRO  13   5.619  -1.050   5.485
   72    HB3  PRO  13           HB3      PRO  13   4.448  -2.136   4.733
   73    HG2  PRO  13           HG2      PRO  13   7.275  -1.591   3.987
   74    HG3  PRO  13           HG3      PRO  13   6.338  -3.094   3.893
   75    HD2  PRO  13           HD2      PRO  13   6.885  -1.442   1.755
   76    HD3  PRO  13           HD3      PRO  13   5.548  -2.605   1.814
   77    H    ILE  14           H        ILE  14   6.385   1.022   2.393
   78    HA   ILE  14           HA       ILE  14   7.061   2.858   4.499
   79    HB   ILE  14           HB       ILE  14   8.266   2.765   1.698
   80   HG12  ILE  14          HG12      ILE  14   9.266   1.398   4.209
   81   HG13  ILE  14          HG13      ILE  14   8.507   0.576   2.850
   82   HG21  ILE  14          HG21      ILE  14   8.703   4.830   2.979
   83   HG22  ILE  14          HG22      ILE  14  10.179   3.894   2.736
   84   HG23  ILE  14          HG23      ILE  14   9.363   3.864   4.300
   85   HD11  ILE  14          HD11      ILE  14  10.927   0.345   2.812
   86   HD12  ILE  14          HD12      ILE  14  11.105   2.099   2.774
   87   HD13  ILE  14          HD13      ILE  14  10.360   1.259   1.414
   88    H    CYS  15           H        CYS  15   5.029   2.582   2.028
   89    HA   CYS  15           HA       CYS  15   4.805   5.409   1.365
   90    HB2  CYS  15           HB2      CYS  15   4.597   3.733  -0.444
   91    HB3  CYS  15           HB3      CYS  15   3.215   3.034   0.382
   92    HN1  NH2  16           HN1      NH2  16   4.164   6.124   3.380
   93    HN2  NH2  16           HN2      NH2  16   2.618   5.785   4.073
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1  -6.434   6.575  -5.530
    2    H2   GLY   1           H2       GLY   1  -6.307   7.902  -4.463
    3    H3   GLY   1           H3       GLY   1  -6.802   6.390  -3.914
    4    HA2  GLY   1           HA2      GLY   1  -4.149   6.910  -5.051
    5    HA3  GLY   1           HA3      GLY   1  -4.495   6.868  -3.329
    6    H    CYS   2           H        CYS   2  -3.012   5.133  -3.218
    7    HA   CYS   2           HA       CYS   2  -4.230   2.537  -3.915
    8    HB2  CYS   2           HB2      CYS   2  -2.272   3.504  -5.493
    9    HB3  CYS   2           HB3      CYS   2  -1.337   2.902  -4.126
   10    H    CYS   3           H        CYS   3  -1.562   4.314  -2.353
   11    HA   CYS   3           HA       CYS   3  -0.647   2.317  -0.680
   12    HB2  CYS   3           HB2      CYS   3  -0.563   5.307  -0.331
   13    HB3  CYS   3           HB3      CYS   3   0.411   4.150   0.570
   14    H    SER   4           H        SER   4  -3.386   4.306  -0.357
   15    HA   SER   4           HA       SER   4  -3.707   3.698   2.484
   16    HB2  SER   4           HB2      SER   4  -5.414   5.315   0.589
   17    HB3  SER   4           HB3      SER   4  -5.725   5.149   2.320
   18    HG   SER   4           HG       SER   4  -3.195   5.841   1.983
   19    H    HIS   5           H        HIS   5  -3.896   1.707   0.191
   20    HA   HIS   5           HA       HIS   5  -6.396   0.448   0.988
   21    HB2  HIS   5           HB2      HIS   5  -6.681   1.449  -1.266
   22    HB3  HIS   5           HB3      HIS   5  -5.223   0.656  -1.817
   23    HD1  HIS   5           HD1      HIS   5  -6.086  -0.946  -3.586
   24    HD2  HIS   5           HD2      HIS   5  -8.401  -1.020  -0.124
   25    HE1  HIS   5           HE1      HIS   5  -7.732  -2.809  -3.890
   26    HA   PRO   6           HA       PRO   6  -3.855  -2.780   2.722
   27    HB2  PRO   6           HB2      PRO   6  -5.597  -4.456   1.003
   28    HB3  PRO   6           HB3      PRO   6  -5.151  -4.675   2.694
   29    HG2  PRO   6           HG2      PRO   6  -7.515  -3.538   1.821
   30    HG3  PRO   6           HG3      PRO   6  -6.814  -3.297   3.423
   31    HD2  PRO   6           HD2      PRO   6  -7.176  -1.362   1.370
   32    HD3  PRO   6           HD3      PRO   6  -6.378  -1.136   2.934
   33    H    VAL   7           H        VAL   7  -4.661  -3.480  -0.692
   34    HA   VAL   7           HA       VAL   7  -2.478  -5.190  -1.048
   35    HB   VAL   7           HB       VAL   7  -2.896  -5.057  -3.494
   36   HG11  VAL   7          HG11      VAL   7  -4.156  -6.617  -2.122
   37   HG12  VAL   7          HG12      VAL   7  -5.169  -5.983  -3.420
   38   HG13  VAL   7          HG13      VAL   7  -5.349  -5.367  -1.777
   39   HG21  VAL   7          HG21      VAL   7  -3.533  -2.715  -3.663
   40   HG22  VAL   7          HG22      VAL   7  -4.977  -3.027  -2.701
   41   HG23  VAL   7          HG23      VAL   7  -4.813  -3.751  -4.299
   42    H    CYS   8           H        CYS   8  -2.640  -1.723  -1.556
   43    HA   CYS   8           HA       CYS   8   0.004  -1.785  -2.767
   44    HB2  CYS   8           HB2      CYS   8  -1.494   0.703  -2.012
   45    HB3  CYS   8           HB3      CYS   8  -0.345   0.476  -3.320
   46    H    SER   9           H        SER   9  -1.583  -1.266   0.254
   47    HA   SER   9           HA       SER   9   0.421   0.155   1.527
   48    HB2  SER   9           HB2      SER   9  -1.890   0.022   2.382
   49    HB3  SER   9           HB3      SER   9  -1.673  -1.691   2.719
   50    HG   SER   9           HG       SER   9  -0.570   0.552   3.984
   51    H    ALA  10           H        ALA  10  -0.147  -3.247   0.884
   52    HA   ALA  10           HA       ALA  10   2.086  -4.155   2.487
   53    HB1  ALA  10           HB1      ALA  10   0.411  -5.657   0.465
   54    HB2  ALA  10           HB2      ALA  10   0.105  -5.594   2.201
   55    HB3  ALA  10           HB3      ALA  10   1.562  -6.378   1.589
   56    H    MET  11           H        MET  11   1.444  -3.286  -0.776
   57    HA   MET  11           HA       MET  11   3.733  -4.265  -2.088
   58    HB2  MET  11           HB2      MET  11   1.819  -3.295  -3.289
   59    HB3  MET  11           HB3      MET  11   2.156  -1.734  -2.565
   60    HG2  MET  11           HG2      MET  11   4.306  -1.675  -3.779
   61    HG3  MET  11           HG3      MET  11   3.873  -3.192  -4.568
   62    HE1  MET  11           HE1      MET  11   4.655  -0.574  -6.194
   63    HE2  MET  11           HE2      MET  11   3.418  -0.567  -7.452
   64    HE3  MET  11           HE3      MET  11   4.182  -2.083  -6.975
   65    H    SER  12           H        SER  12   3.106  -1.192  -0.722
   66    HA   SER  12           HA       SER  12   5.931  -0.944  -0.060
   67    HB2  SER  12           HB2      SER  12   5.270   0.368  -2.096
   68    HB3  SER  12           HB3      SER  12   4.242   1.335  -1.049
   69    HG   SER  12           HG       SER  12   6.987   1.298  -1.271
   70    HA   PRO  13           HA       PRO  13   3.453  -0.295   3.704
   71    HB2  PRO  13           HB2      PRO  13   5.328  -1.185   5.439
   72    HB3  PRO  13           HB3      PRO  13   4.291  -2.278   4.517
   73    HG2  PRO  13           HG2      PRO  13   7.131  -1.501   4.030
   74    HG3  PRO  13           HG3      PRO  13   6.331  -3.077   3.834
   75    HD2  PRO  13           HD2      PRO  13   6.903  -1.351   1.778
   76    HD3  PRO  13           HD3      PRO  13   5.622  -2.577   1.729
   77    H    ILE  14           H        ILE  14   6.002   1.284   2.426
   78    HA   ILE  14           HA       ILE  14   6.422   2.975   4.724
   79    HB   ILE  14           HB       ILE  14   7.779   3.130   2.004
   80   HG12  ILE  14          HG12      ILE  14   8.274   0.972   3.044
   81   HG13  ILE  14          HG13      ILE  14   9.707   1.987   3.029
   82   HG21  ILE  14          HG21      ILE  14   7.928   5.222   3.258
   83   HG22  ILE  14          HG22      ILE  14   9.507   4.452   3.127
   84   HG23  ILE  14          HG23      ILE  14   8.604   4.358   4.639
   85   HD11  ILE  14          HD11      ILE  14   7.919   1.463   5.398
   86   HD12  ILE  14          HD12      ILE  14   9.342   2.504   5.399
   87   HD13  ILE  14          HD13      ILE  14   9.518   0.771   5.115
   88    H    CYS  15           H        CYS  15   4.500   2.632   2.194
   89    HA   CYS  15           HA       CYS  15   3.933   5.501   1.860
   90    HB2  CYS  15           HB2      CYS  15   4.665   4.272  -0.226
   91    HB3  CYS  15           HB3      CYS  15   3.226   3.273  -0.061
   92    HN1  NH2  16           HN1      NH2  16   2.298   2.347   1.646
   93    HN2  NH2  16           HN2      NH2  16   0.858   2.863   2.451
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1   0.114   7.560  -6.183
    2    H2   GLY   1           H2       GLY   1  -0.143   6.256  -7.199
    3    H3   GLY   1           H3       GLY   1   1.439   6.845  -6.993
    4    HA2  GLY   1           HA2      GLY   1   1.149   4.827  -5.772
    5    HA3  GLY   1           HA3      GLY   1   1.295   6.173  -4.645
    6    H    CYS   2           H        CYS   2   0.086   3.783  -3.852
    7    HA   CYS   2           HA       CYS   2  -2.748   4.203  -4.085
    8    HB2  CYS   2           HB2      CYS   2  -2.641   2.003  -2.855
    9    HB3  CYS   2           HB3      CYS   2  -2.099   2.036  -4.543
   10    H    CYS   3           H        CYS   3  -0.595   3.197  -1.510
   11    HA   CYS   3           HA       CYS   3  -0.420   3.578   0.677
   12    HB2  CYS   3           HB2      CYS   3  -0.066   5.839   0.078
   13    HB3  CYS   3           HB3      CYS   3  -1.781   6.143  -0.080
   14    H    SER   4           H        SER   4  -3.747   4.600  -0.156
   15    HA   SER   4           HA       SER   4  -4.658   3.505   2.372
   16    HB2  SER   4           HB2      SER   4  -6.135   5.092   0.268
   17    HB3  SER   4           HB3      SER   4  -6.729   4.680   1.879
   18    HG   SER   4           HG       SER   4  -4.479   5.737   2.386
   19    H    HIS   5           H        HIS   5  -3.827   1.737   0.197
   20    HA   HIS   5           HA       HIS   5  -6.352   0.250   0.044
   21    HB2  HIS   5           HB2      HIS   5  -5.709   1.111  -2.211
   22    HB3  HIS   5           HB3      HIS   5  -4.206   0.199  -2.097
   23    HD1  HIS   5           HD1      HIS   5  -7.931  -0.301  -2.489
   24    HD2  HIS   5           HD2      HIS   5  -4.408  -2.493  -2.687
   25    HE1  HIS   5           HE1      HIS   5  -8.571  -2.562  -3.358
   26    HA   PRO   6           HA       PRO   6  -4.094  -2.270   2.967
   27    HB2  PRO   6           HB2      PRO   6  -6.021  -4.230   1.783
   28    HB3  PRO   6           HB3      PRO   6  -5.569  -3.992   3.477
   29    HG2  PRO   6           HG2      PRO   6  -7.828  -2.960   2.585
   30    HG3  PRO   6           HG3      PRO   6  -6.787  -2.014   3.661
   31    HD2  PRO   6           HD2      PRO   6  -7.250  -1.701   0.733
   32    HD3  PRO   6           HD3      PRO   6  -6.871  -0.477   1.960
   33    H    VAL   7           H        VAL   7  -4.864  -3.879  -0.136
   34    HA   VAL   7           HA       VAL   7  -2.749  -5.772   0.068
   35    HB   VAL   7           HB       VAL   7  -4.144  -4.833  -2.462
   36   HG11  VAL   7          HG11      VAL   7  -2.102  -6.074  -2.949
   37   HG12  VAL   7          HG12      VAL   7  -3.524  -7.023  -3.386
   38   HG13  VAL   7          HG13      VAL   7  -2.638  -7.392  -1.907
   39   HG21  VAL   7          HG21      VAL   7  -5.617  -6.768  -2.157
   40   HG22  VAL   7          HG22      VAL   7  -5.751  -5.619  -0.824
   41   HG23  VAL   7          HG23      VAL   7  -4.833  -7.111  -0.615
   42    H    CYS   8           H        CYS   8  -2.929  -2.550  -1.151
   43    HA   CYS   8           HA       CYS   8  -0.399  -2.784  -2.527
   44    HB2  CYS   8           HB2      CYS   8  -2.368  -1.468  -3.452
   45    HB3  CYS   8           HB3      CYS   8  -2.057  -0.327  -2.147
   46    H    SER   9           H        SER   9  -1.648  -1.809   0.533
   47    HA   SER   9           HA       SER   9   0.399  -0.141   1.325
   48    HB2  SER   9           HB2      SER   9  -1.313  -1.995   2.985
   49    HB3  SER   9           HB3      SER   9  -0.351  -0.649   3.606
   50    HG   SER   9           HG       SER   9  -1.595   0.748   2.291
   51    H    ALA  10           H        ALA  10   0.261  -3.508   0.813
   52    HA   ALA  10           HA       ALA  10   2.726  -4.106   2.260
   53    HB1  ALA  10           HB1      ALA  10   2.378  -6.376   1.419
   54    HB2  ALA  10           HB2      ALA  10   1.037  -5.800   0.427
   55    HB3  ALA  10           HB3      ALA  10   0.904  -5.771   2.182
   56    H    MET  11           H        MET  11   1.638  -3.187  -0.818
   57    HA   MET  11           HA       MET  11   4.010  -3.953  -2.270
   58    HB2  MET  11           HB2      MET  11   1.717  -2.117  -2.991
   59    HB3  MET  11           HB3      MET  11   3.045  -2.468  -4.080
   60    HG2  MET  11           HG2      MET  11   1.166  -4.529  -2.949
   61    HG3  MET  11           HG3      MET  11   1.001  -3.777  -4.534
   62    HE1  MET  11           HE1      MET  11   4.120  -5.086  -6.456
   63    HE2  MET  11           HE2      MET  11   4.007  -3.574  -5.568
   64    HE3  MET  11           HE3      MET  11   2.641  -4.128  -6.537
   65    H    SER  12           H        SER  12   2.676  -1.163  -0.885
   66    HA   SER  12           HA       SER  12   5.339   0.031  -0.843
   67    HB2  SER  12           HB2      SER  12   3.642   1.226  -2.322
   68    HB3  SER  12           HB3      SER  12   2.768   1.578  -0.817
   69    HG   SER  12           HG       SER  12   4.448   3.131  -1.735
   70    HA   PRO  13           HA       PRO  13   3.875  -0.774   3.432
   71    HB2  PRO  13           HB2      PRO  13   6.342  -1.290   4.478
   72    HB3  PRO  13           HB3      PRO  13   5.337  -2.515   3.699
   73    HG2  PRO  13           HG2      PRO  13   7.668  -1.011   2.624
   74    HG3  PRO  13           HG3      PRO  13   7.159  -2.707   2.351
   75    HD2  PRO  13           HD2      PRO  13   6.788  -0.641   0.581
   76    HD3  PRO  13           HD3      PRO  13   5.805  -2.115   0.626
   77    H    ILE  14           H        ILE  14   5.490   1.588   1.967
   78    HA   ILE  14           HA       ILE  14   6.440   3.140   4.118
   79    HB   ILE  14           HB       ILE  14   5.475   4.066   1.377
   80   HG12  ILE  14          HG12      ILE  14   7.962   4.493   0.967
   81   HG13  ILE  14          HG13      ILE  14   8.266   3.578   2.432
   82   HG21  ILE  14          HG21      ILE  14   5.280   5.919   2.897
   83   HG22  ILE  14          HG22      ILE  14   6.623   6.202   1.788
   84   HG23  ILE  14          HG23      ILE  14   6.939   5.687   3.445
   85   HD11  ILE  14          HD11      ILE  14   6.930   2.527  -0.054
   86   HD12  ILE  14          HD12      ILE  14   7.293   1.597   1.402
   87   HD13  ILE  14          HD13      ILE  14   8.604   2.246   0.420
   88    H    CYS  15           H        CYS  15   3.495   2.633   2.708
   89    HA   CYS  15           HA       CYS  15   2.168   4.209   4.812
   90    HB2  CYS  15           HB2      CYS  15   1.704   5.227   2.638
   91    HB3  CYS  15           HB3      CYS  15   1.138   3.679   2.017
   92    HN1  NH2  16           HN1      NH2  16   2.021   2.553   6.227
   93    HN2  NH2  16           HN2      NH2  16   1.099   1.112   5.950
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1  -5.484   8.054  -1.805
    2    H2   GLY   1           H2       GLY   1  -4.902   6.728  -0.937
    3    H3   GLY   1           H3       GLY   1  -6.325   6.584  -1.835
    4    HA2  GLY   1           HA2      GLY   1  -5.134   6.860  -3.873
    5    HA3  GLY   1           HA3      GLY   1  -3.640   7.052  -2.966
    6    H    CYS   2           H        CYS   2  -2.781   5.200  -4.049
    7    HA   CYS   2           HA       CYS   2  -4.066   2.658  -4.074
    8    HB2  CYS   2           HB2      CYS   2  -1.997   3.661  -5.443
    9    HB3  CYS   2           HB3      CYS   2  -1.099   2.964  -4.102
   10    H    CYS   3           H        CYS   3  -1.503   4.137  -2.077
   11    HA   CYS   3           HA       CYS   3  -1.073   1.874  -0.456
   12    HB2  CYS   3           HB2      CYS   3  -0.272   4.734  -0.096
   13    HB3  CYS   3           HB3      CYS   3   0.305   3.369   0.847
   14    H    SER   4           H        SER   4  -3.493   3.960  -0.504
   15    HA   SER   4           HA       SER   4  -4.106   4.012   2.339
   16    HB2  SER   4           HB2      SER   4  -5.852   4.788  -0.001
   17    HB3  SER   4           HB3      SER   4  -6.041   5.281   1.683
   18    HG   SER   4           HG       SER   4  -4.027   6.324   1.508
   19    H    HIS   5           H        HIS   5  -4.106   1.630   0.114
   20    HA   HIS   5           HA       HIS   5  -6.365   0.275   1.319
   21    HB2  HIS   5           HB2      HIS   5  -7.015   1.302  -0.936
   22    HB3  HIS   5           HB3      HIS   5  -5.842   0.221  -1.670
   23    HD1  HIS   5           HD1      HIS   5  -9.225   0.248  -0.042
   24    HD2  HIS   5           HD2      HIS   5  -6.662  -2.449  -1.885
   25    HE1  HIS   5           HE1      HIS   5 -10.585  -1.827  -0.465
   26    HA   PRO   6           HA       PRO   6  -3.541  -2.883   2.564
   27    HB2  PRO   6           HB2      PRO   6  -5.545  -4.486   1.031
   28    HB3  PRO   6           HB3      PRO   6  -4.753  -4.866   2.564
   29    HG2  PRO   6           HG2      PRO   6  -7.213  -3.781   2.487
   30    HG3  PRO   6           HG3      PRO   6  -6.054  -3.391   3.763
   31    HD2  PRO   6           HD2      PRO   6  -7.082  -1.685   1.634
   32    HD3  PRO   6           HD3      PRO   6  -6.137  -1.231   3.068
   33    H    VAL   7           H        VAL   7  -4.750  -3.355  -0.730
   34    HA   VAL   7           HA       VAL   7  -2.802  -5.108  -1.610
   35    HB   VAL   7           HB       VAL   7  -3.477  -4.603  -3.895
   36   HG11  VAL   7          HG11      VAL   7  -5.872  -5.123  -3.693
   37   HG12  VAL   7          HG12      VAL   7  -5.794  -4.726  -1.977
   38   HG13  VAL   7          HG13      VAL   7  -4.875  -6.090  -2.608
   39   HG21  VAL   7          HG21      VAL   7  -5.279  -2.885  -4.298
   40   HG22  VAL   7          HG22      VAL   7  -3.689  -2.242  -3.915
   41   HG23  VAL   7          HG23      VAL   7  -4.934  -2.253  -2.678
   42    H    CYS   8           H        CYS   8  -2.619  -1.595  -1.486
   43    HA   CYS   8           HA       CYS   8   0.006  -1.823  -2.782
   44    HB2  CYS   8           HB2      CYS   8  -1.426   0.746  -2.202
   45    HB3  CYS   8           HB3      CYS   8  -0.145   0.459  -3.376
   46    H    SER   9           H        SER   9  -1.659  -1.119   0.192
   47    HA   SER   9           HA       SER   9   0.271   0.331   1.497
   48    HB2  SER   9           HB2      SER   9  -1.650  -1.670   2.695
   49    HB3  SER   9           HB3      SER   9  -0.879  -0.324   3.539
   50    HG   SER   9           HG       SER   9  -2.092   1.107   2.379
   51    H    ALA  10           H        ALA  10  -0.210  -3.152   1.123
   52    HA   ALA  10           HA       ALA  10   2.096  -3.809   2.745
   53    HB1  ALA  10           HB1      ALA  10   1.581  -6.132   2.149
   54    HB2  ALA  10           HB2      ALA  10   0.364  -5.567   1.002
   55    HB3  ALA  10           HB3      ALA  10   0.145  -5.288   2.728
   56    H    MET  11           H        MET  11   1.408  -3.112  -0.498
   57    HA   MET  11           HA       MET  11   3.602  -4.369  -1.785
   58    HB2  MET  11           HB2      MET  11   1.704  -3.476  -3.059
   59    HB3  MET  11           HB3      MET  11   2.102  -1.854  -2.514
   60    HG2  MET  11           HG2      MET  11   4.251  -2.023  -3.721
   61    HG3  MET  11           HG3      MET  11   3.740  -3.586  -4.349
   62    HE1  MET  11           HE1      MET  11   0.691  -2.651  -6.609
   63    HE2  MET  11           HE2      MET  11   0.623  -3.149  -4.921
   64    HE3  MET  11           HE3      MET  11   1.743  -3.943  -6.031
   65    H    SER  12           H        SER  12   3.131  -1.210  -0.566
   66    HA   SER  12           HA       SER  12   5.995  -1.031  -0.058
   67    HB2  SER  12           HB2      SER  12   5.280   0.265  -2.081
   68    HB3  SER  12           HB3      SER  12   4.288   1.242  -1.008
   69    HG   SER  12           HG       SER  12   7.105   0.968  -0.863
   70    HA   PRO  13           HA       PRO  13   3.685  -0.201   3.793
   71    HB2  PRO  13           HB2      PRO  13   5.645  -1.018   5.483
   72    HB3  PRO  13           HB3      PRO  13   4.506  -2.123   4.707
   73    HG2  PRO  13           HG2      PRO  13   7.334  -1.518   4.002
   74    HG3  PRO  13           HG3      PRO  13   6.453  -3.058   3.955
   75    HD2  PRO  13           HD2      PRO  13   6.972  -1.510   1.756
   76    HD3  PRO  13           HD3      PRO  13   5.620  -2.653   1.867
   77    H    ILE  14           H        ILE  14   6.333   1.158   2.383
   78    HA   ILE  14           HA       ILE  14   6.962   2.976   4.507
   79    HB   ILE  14           HB       ILE  14   7.813   3.049   1.595
   80   HG12  ILE  14          HG12      ILE  14   8.605   1.005   2.683
   81   HG13  ILE  14          HG13      ILE  14   9.951   2.085   2.350
   82   HG21  ILE  14          HG21      ILE  14   8.978   4.527   3.953
   83   HG22  ILE  14          HG22      ILE  14   8.023   5.235   2.654
   84   HG23  ILE  14          HG23      ILE  14   9.612   4.553   2.305
   85   HD11  ILE  14          HD11      ILE  14  10.202   1.042   4.510
   86   HD12  ILE  14          HD12      ILE  14   8.628   1.648   5.020
   87   HD13  ILE  14          HD13      ILE  14   9.948   2.776   4.704
   88    H    CYS  15           H        CYS  15   5.092   2.640   1.885
   89    HA   CYS  15           HA       CYS  15   4.275   5.412   1.556
   90    HB2  CYS  15           HB2      CYS  15   4.790   4.104  -0.449
   91    HB3  CYS  15           HB3      CYS  15   3.592   2.911   0.018
   92    HN1  NH2  16           HN1      NH2  16   2.651   2.261   1.967
   93    HN2  NH2  16           HN2      NH2  16   1.317   2.899   2.866
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1   1.028   5.477  -5.401
    2    H2   GLY   1           H2       GLY   1   0.453   7.027  -5.692
    3    H3   GLY   1           H3       GLY   1   1.443   6.275  -6.827
    4    HA2  GLY   1           HA2      GLY   1  -0.854   6.264  -7.548
    5    HA3  GLY   1           HA3      GLY   1  -0.258   4.632  -7.267
    6    H    CYS   2           H        CYS   2  -0.637   3.848  -4.771
    7    HA   CYS   2           HA       CYS   2  -3.089   4.781  -3.846
    8    HB2  CYS   2           HB2      CYS   2  -3.206   2.275  -3.340
    9    HB3  CYS   2           HB3      CYS   2  -3.549   2.786  -5.016
   10    H    CYS   3           H        CYS   3  -3.018   3.669  -1.729
   11    HA   CYS   3           HA       CYS   3  -0.550   3.172  -0.418
   12    HB2  CYS   3           HB2      CYS   3  -0.382   5.604  -0.599
   13    HB3  CYS   3           HB3      CYS   3  -1.939   5.760   0.206
   14    H    SER   4           H        SER   4  -3.898   4.344   0.264
   15    HA   SER   4           HA       SER   4  -3.931   2.852   2.729
   16    HB2  SER   4           HB2      SER   4  -6.185   3.984   2.915
   17    HB3  SER   4           HB3      SER   4  -4.782   5.054   2.862
   18    HG   SER   4           HG       SER   4  -6.833   4.700   1.078
   19    H    HIS   5           H        HIS   5  -4.008   1.634   0.012
   20    HA   HIS   5           HA       HIS   5  -6.561   0.202   0.191
   21    HB2  HIS   5           HB2      HIS   5  -5.918   1.233  -2.034
   22    HB3  HIS   5           HB3      HIS   5  -4.490   0.210  -2.044
   23    HD1  HIS   5           HD1      HIS   5  -8.272  -0.196  -1.970
   24    HD2  HIS   5           HD2      HIS   5  -4.853  -2.113  -3.311
   25    HE1  HIS   5           HE1      HIS   5  -9.078  -2.175  -3.298
   26    HA   PRO   6           HA       PRO   6  -4.400  -2.658   2.779
   27    HB2  PRO   6           HB2      PRO   6  -6.005  -4.646   1.228
   28    HB3  PRO   6           HB3      PRO   6  -5.715  -4.542   2.965
   29    HG2  PRO   6           HG2      PRO   6  -7.987  -3.625   1.932
   30    HG3  PRO   6           HG3      PRO   6  -7.181  -2.778   3.264
   31    HD2  PRO   6           HD2      PRO   6  -7.410  -2.024   0.402
   32    HD3  PRO   6           HD3      PRO   6  -7.206  -0.994   1.832
   33    H    VAL   7           H        VAL   7  -4.708  -4.109  -0.518
   34    HA   VAL   7           HA       VAL   7  -2.269  -5.497  -0.160
   35    HB   VAL   7           HB       VAL   7  -2.332  -6.090  -2.531
   36   HG11  VAL   7          HG11      VAL   7  -3.656  -7.396  -1.025
   37   HG12  VAL   7          HG12      VAL   7  -4.497  -7.247  -2.569
   38   HG13  VAL   7          HG13      VAL   7  -5.011  -6.282  -1.186
   39   HG21  VAL   7          HG21      VAL   7  -3.106  -3.998  -3.502
   40   HG22  VAL   7          HG22      VAL   7  -4.679  -4.201  -2.738
   41   HG23  VAL   7          HG23      VAL   7  -4.162  -5.321  -3.998
   42    H    CYS   8           H        CYS   8  -2.956  -2.327  -1.301
   43    HA   CYS   8           HA       CYS   8  -0.372  -1.960  -2.489
   44    HB2  CYS   8           HB2      CYS   8  -2.400  -0.643  -3.244
   45    HB3  CYS   8           HB3      CYS   8  -2.356   0.192  -1.705
   46    H    SER   9           H        SER   9  -1.806  -1.606   0.673
   47    HA   SER   9           HA       SER   9   0.134   0.028   1.771
   48    HB2  SER   9           HB2      SER   9  -1.582  -2.048   3.157
   49    HB3  SER   9           HB3      SER   9  -0.788  -0.672   3.928
   50    HG   SER   9           HG       SER   9  -2.073   0.567   2.236
   51    H    ALA  10           H        ALA  10   0.062  -3.269   0.855
   52    HA   ALA  10           HA       ALA  10   2.407  -4.039   2.399
   53    HB1  ALA  10           HB1      ALA  10   2.063  -6.245   1.388
   54    HB2  ALA  10           HB2      ALA  10   0.764  -5.585   0.393
   55    HB3  ALA  10           HB3      ALA  10   0.586  -5.655   2.147
   56    H    MET  11           H        MET  11   1.363  -3.240  -0.822
   57    HA   MET  11           HA       MET  11   3.762  -3.762  -2.214
   58    HB2  MET  11           HB2      MET  11   1.608  -1.725  -2.782
   59    HB3  MET  11           HB3      MET  11   2.941  -2.051  -3.863
   60    HG2  MET  11           HG2      MET  11   0.837  -4.036  -3.038
   61    HG3  MET  11           HG3      MET  11   0.906  -3.177  -4.577
   62    HE1  MET  11           HE1      MET  11   1.794  -6.847  -5.597
   63    HE2  MET  11           HE2      MET  11   0.758  -5.459  -5.918
   64    HE3  MET  11           HE3      MET  11   0.633  -6.316  -4.379
   65    H    SER  12           H        SER  12   2.546  -0.951  -0.710
   66    HA   SER  12           HA       SER  12   5.276   0.047  -0.523
   67    HB2  SER  12           HB2      SER  12   3.803   1.437  -1.977
   68    HB3  SER  12           HB3      SER  12   2.759   1.681  -0.579
   69    HG   SER  12           HG       SER  12   5.164   2.851  -1.167
   70    HA   PRO  13           HA       PRO  13   3.823  -0.430   3.766
   71    HB2  PRO  13           HB2      PRO  13   5.974  -1.662   4.753
   72    HB3  PRO  13           HB3      PRO  13   4.782  -2.569   3.812
   73    HG2  PRO  13           HG2      PRO  13   7.439  -1.492   2.979
   74    HG3  PRO  13           HG3      PRO  13   6.689  -3.054   2.584
   75    HD2  PRO  13           HD2      PRO  13   6.711  -0.833   0.934
   76    HD3  PRO  13           HD3      PRO  13   5.537  -2.159   0.820
   77    H    ILE  14           H        ILE  14   5.800   1.367   2.053
   78    HA   ILE  14           HA       ILE  14   7.177   2.672   4.214
   79    HB   ILE  14           HB       ILE  14   7.155   3.399   1.258
   80   HG12  ILE  14          HG12      ILE  14   8.084   1.154   1.541
   81   HG13  ILE  14          HG13      ILE  14   9.348   2.284   1.081
   82   HG21  ILE  14          HG21      ILE  14   7.842   5.274   2.641
   83   HG22  ILE  14          HG22      ILE  14   9.216   4.657   1.722
   84   HG23  ILE  14          HG23      ILE  14   9.055   4.269   3.434
   85   HD11  ILE  14          HD11      ILE  14   8.835   1.194   3.842
   86   HD12  ILE  14          HD12      ILE  14  10.091   2.358   3.423
   87   HD13  ILE  14          HD13      ILE  14  10.142   0.727   2.753
   88    H    CYS  15           H        CYS  15   4.454   2.736   2.445
   89    HA   CYS  15           HA       CYS  15   3.729   5.450   3.277
   90    HB2  CYS  15           HB2      CYS  15   3.614   4.917   0.784
   91    HB3  CYS  15           HB3      CYS  15   2.305   3.810   1.162
   92    HN1  NH2  16           HN1      NH2  16   1.766   2.566   2.521
   93    HN2  NH2  16           HN2      NH2  16   0.992   2.528   4.062
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1  -0.057   5.977  -7.626
    2    H2   GLY   1           H2       GLY   1   0.094   4.312  -7.721
    3    H3   GLY   1           H3       GLY   1   1.482   5.262  -7.730
    4    HA2  GLY   1           HA2      GLY   1   1.203   4.260  -5.581
    5    HA3  GLY   1           HA3      GLY   1   0.978   6.002  -5.474
    6    H    CYS   2           H        CYS   2  -0.143   3.481  -4.003
    7    HA   CYS   2           HA       CYS   2  -2.951   4.066  -4.315
    8    HB2  CYS   2           HB2      CYS   2  -3.002   1.794  -3.204
    9    HB3  CYS   2           HB3      CYS   2  -2.491   1.864  -4.910
   10    H    CYS   3           H        CYS   3  -0.765   2.718  -1.945
   11    HA   CYS   3           HA       CYS   3  -0.356   2.903   0.216
   12    HB2  CYS   3           HB2      CYS   3   0.156   5.176  -0.405
   13    HB3  CYS   3           HB3      CYS   3  -1.506   5.649  -0.089
   14    H    SER   4           H        SER   4  -3.522   4.527  -0.149
   15    HA   SER   4           HA       SER   4  -4.443   3.531   2.390
   16    HB2  SER   4           HB2      SER   4  -5.859   5.104   0.236
   17    HB3  SER   4           HB3      SER   4  -6.469   4.817   1.868
   18    HG   SER   4           HG       SER   4  -4.861   6.013   2.692
   19    H    HIS   5           H        HIS   5  -3.950   1.721   0.025
   20    HA   HIS   5           HA       HIS   5  -6.561   0.385   0.082
   21    HB2  HIS   5           HB2      HIS   5  -5.857   1.228  -2.186
   22    HB3  HIS   5           HB3      HIS   5  -4.464   0.155  -2.102
   23    HD1  HIS   5           HD1      HIS   5  -8.182   0.163  -2.599
   24    HD2  HIS   5           HD2      HIS   5  -5.014  -2.526  -2.637
   25    HE1  HIS   5           HE1      HIS   5  -9.095  -1.964  -3.582
   26    HA   PRO   6           HA       PRO   6  -4.338  -2.145   3.045
   27    HB2  PRO   6           HB2      PRO   6  -6.369  -4.072   2.017
   28    HB3  PRO   6           HB3      PRO   6  -5.886  -3.727   3.680
   29    HG2  PRO   6           HG2      PRO   6  -8.119  -2.694   2.634
   30    HG3  PRO   6           HG3      PRO   6  -7.125  -1.795   3.792
   31    HD2  PRO   6           HD2      PRO   6  -7.516  -1.346   0.897
   32    HD3  PRO   6           HD3      PRO   6  -6.974  -0.218   2.149
   33    H    VAL   7           H        VAL   7  -5.363  -3.933   0.139
   34    HA   VAL   7           HA       VAL   7  -3.267  -5.825   0.349
   35    HB   VAL   7           HB       VAL   7  -4.967  -5.148  -2.087
   36   HG11  VAL   7          HG11      VAL   7  -2.948  -6.393  -2.703
   37   HG12  VAL   7          HG12      VAL   7  -4.396  -7.383  -2.901
   38   HG13  VAL   7          HG13      VAL   7  -3.342  -7.628  -1.507
   39   HG21  VAL   7          HG21      VAL   7  -6.347  -7.035  -1.417
   40   HG22  VAL   7          HG22      VAL   7  -6.270  -5.851  -0.105
   41   HG23  VAL   7          HG23      VAL   7  -5.306  -7.320  -0.029
   42    H    CYS   8           H        CYS   8  -3.343  -2.665  -0.965
   43    HA   CYS   8           HA       CYS   8  -0.960  -3.113  -2.590
   44    HB2  CYS   8           HB2      CYS   8  -2.993  -1.797  -3.408
   45    HB3  CYS   8           HB3      CYS   8  -2.483  -0.589  -2.223
   46    H    SER   9           H        SER   9  -1.887  -2.022   0.514
   47    HA   SER   9           HA       SER   9   0.158  -0.248   1.118
   48    HB2  SER   9           HB2      SER   9  -1.203  -2.235   2.966
   49    HB3  SER   9           HB3      SER   9  -0.325  -0.796   3.480
   50    HG   SER   9           HG       SER   9  -1.924   0.413   2.174
   51    H    ALA  10           H        ALA  10   0.299  -3.535   0.367
   52    HA   ALA  10           HA       ALA  10   2.766  -4.135   1.749
   53    HB1  ALA  10           HB1      ALA  10   1.310  -5.671  -0.404
   54    HB2  ALA  10           HB2      ALA  10   1.096  -5.894   1.333
   55    HB3  ALA  10           HB3      ALA  10   2.644  -6.275   0.579
   56    H    MET  11           H        MET  11   1.829  -2.599  -1.152
   57    HA   MET  11           HA       MET  11   4.277  -3.135  -2.582
   58    HB2  MET  11           HB2      MET  11   2.165  -2.738  -3.808
   59    HB3  MET  11           HB3      MET  11   2.074  -1.124  -3.127
   60    HG2  MET  11           HG2      MET  11   2.849  -1.054  -5.426
   61    HG3  MET  11           HG3      MET  11   4.112  -0.501  -4.328
   62    HE1  MET  11           HE1      MET  11   4.608  -1.369  -7.394
   63    HE2  MET  11           HE2      MET  11   6.111  -2.275  -7.218
   64    HE3  MET  11           HE3      MET  11   5.876  -0.774  -6.323
   65    H    SER  12           H        SER  12   2.887  -0.711  -0.665
   66    HA   SER  12           HA       SER  12   5.546   0.450  -0.360
   67    HB2  SER  12           HB2      SER  12   3.968   1.888  -1.709
   68    HB3  SER  12           HB3      SER  12   3.029   2.041  -0.219
   69    HG   SER  12           HG       SER  12   4.917   3.632  -0.826
   70    HA   PRO  13           HA       PRO  13   3.942  -0.603   3.803
   71    HB2  PRO  13           HB2      PRO  13   6.198  -1.698   4.769
   72    HB3  PRO  13           HB3      PRO  13   5.117  -2.611   3.714
   73    HG2  PRO  13           HG2      PRO  13   7.690  -1.251   3.068
   74    HG3  PRO  13           HG3      PRO  13   7.069  -2.811   2.498
   75    HD2  PRO  13           HD2      PRO  13   6.967  -0.451   1.080
   76    HD3  PRO  13           HD3      PRO  13   5.893  -1.837   0.796
   77    H    ILE  14           H        ILE  14   5.954   1.618   2.502
   78    HA   ILE  14           HA       ILE  14   6.855   2.576   5.077
   79    HB   ILE  14           HB       ILE  14   7.863   3.454   2.341
   80   HG12  ILE  14          HG12      ILE  14   8.390   1.092   2.743
   81   HG13  ILE  14          HG13      ILE  14   9.843   2.080   2.763
   82   HG21  ILE  14          HG21      ILE  14   9.051   3.936   5.077
   83   HG22  ILE  14          HG22      ILE  14   8.257   5.144   4.070
   84   HG23  ILE  14          HG23      ILE  14   9.777   4.418   3.543
   85   HD11  ILE  14          HD11      ILE  14   8.387   1.017   5.181
   86   HD12  ILE  14          HD12      ILE  14   9.863   1.983   5.212
   87   HD13  ILE  14          HD13      ILE  14   9.875   0.368   4.501
   88    H    CYS  15           H        CYS  15   4.387   2.870   3.145
   89    HA   CYS  15           HA       CYS  15   4.156   5.755   3.185
   90    HB2  CYS  15           HB2      CYS  15   3.314   4.505   1.200
   91    HB3  CYS  15           HB3      CYS  15   2.078   3.767   2.209
   92    HN1  NH2  16           HN1      NH2  16   1.498   3.561   3.993
   93    HN2  NH2  16           HN2      NH2  16   1.216   4.242   5.548
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1  -7.065   4.532  -3.688
    2    H2   GLY   1           H2       GLY   1  -7.327   6.197  -3.438
    3    H3   GLY   1           H3       GLY   1  -6.951   5.161  -2.152
    4    HA2  GLY   1           HA2      GLY   1  -5.088   5.661  -4.354
    5    HA3  GLY   1           HA3      GLY   1  -5.038   6.470  -2.790
    6    H    CYS   2           H        CYS   2  -3.142   4.545  -4.108
    7    HA   CYS   2           HA       CYS   2  -3.406   2.072  -2.939
    8    HB2  CYS   2           HB2      CYS   2  -1.393   3.550  -4.387
    9    HB3  CYS   2           HB3      CYS   2  -0.836   2.207  -3.400
   10    H    CYS   3           H        CYS   3  -1.941   5.025  -1.736
   11    HA   CYS   3           HA       CYS   3  -0.439   3.763   0.257
   12    HB2  CYS   3           HB2      CYS   3  -1.387   6.599  -0.067
   13    HB3  CYS   3           HB3      CYS   3  -0.470   6.071   1.334
   14    H    SER   4           H        SER   4  -3.648   4.108  -0.098
   15    HA   SER   4           HA       SER   4  -4.103   3.526   2.745
   16    HB2  SER   4           HB2      SER   4  -4.807   5.851   2.117
   17    HB3  SER   4           HB3      SER   4  -5.911   5.161   0.934
   18    HG   SER   4           HG       SER   4  -6.990   4.142   2.616
   19    H    HIS   5           H        HIS   5  -3.603   1.777   0.474
   20    HA   HIS   5           HA       HIS   5  -6.168   0.374   0.329
   21    HB2  HIS   5           HB2      HIS   5  -5.722   1.593  -1.823
   22    HB3  HIS   5           HB3      HIS   5  -4.187   0.730  -1.901
   23    HD1  HIS   5           HD1      HIS   5  -4.470  -0.749  -3.915
   24    HD2  HIS   5           HD2      HIS   5  -7.741  -0.856  -1.360
   25    HE1  HIS   5           HE1      HIS   5  -6.024  -2.521  -4.834
   26    HA   PRO   6           HA       PRO   6  -3.539  -2.544   2.546
   27    HB2  PRO   6           HB2      PRO   6  -5.609  -4.289   1.274
   28    HB3  PRO   6           HB3      PRO   6  -4.956  -4.343   2.917
   29    HG2  PRO   6           HG2      PRO   6  -7.305  -3.206   2.459
   30    HG3  PRO   6           HG3      PRO   6  -6.161  -2.486   3.603
   31    HD2  PRO   6           HD2      PRO   6  -6.939  -1.564   0.888
   32    HD3  PRO   6           HD3      PRO   6  -6.352  -0.632   2.275
   33    H    VAL   7           H        VAL   7  -4.697  -3.365  -0.708
   34    HA   VAL   7           HA       VAL   7  -2.809  -5.370  -1.251
   35    HB   VAL   7           HB       VAL   7  -4.243  -3.568  -3.227
   36   HG11  VAL   7          HG11      VAL   7  -2.953  -6.260  -3.661
   37   HG12  VAL   7          HG12      VAL   7  -2.358  -4.718  -4.275
   38   HG13  VAL   7          HG13      VAL   7  -3.894  -5.367  -4.855
   39   HG21  VAL   7          HG21      VAL   7  -5.000  -6.272  -2.126
   40   HG22  VAL   7          HG22      VAL   7  -5.861  -5.406  -3.397
   41   HG23  VAL   7          HG23      VAL   7  -5.791  -4.737  -1.767
   42    H    CYS   8           H        CYS   8  -2.640  -1.874  -1.773
   43    HA   CYS   8           HA       CYS   8  -0.069  -2.129  -3.108
   44    HB2  CYS   8           HB2      CYS   8  -1.445   0.406  -2.244
   45    HB3  CYS   8           HB3      CYS   8  -0.174   0.221  -3.445
   46    H    SER   9           H        SER   9  -1.445  -1.026  -0.025
   47    HA   SER   9           HA       SER   9   0.836   0.060   1.027
   48    HB2  SER   9           HB2      SER   9  -1.573  -1.117   2.399
   49    HB3  SER   9           HB3      SER   9  -0.355  -0.117   3.195
   50    HG   SER   9           HG       SER   9  -0.843   1.389   1.367
   51    H    ALA  10           H        ALA  10  -0.100  -3.269   0.689
   52    HA   ALA  10           HA       ALA  10   1.774  -4.274   2.641
   53    HB1  ALA  10           HB1      ALA  10  -0.274  -5.526   2.038
   54    HB2  ALA  10           HB2      ALA  10   1.189  -6.468   1.753
   55    HB3  ALA  10           HB3      ALA  10   0.346  -5.714   0.398
   56    H    MET  11           H        MET  11   1.655  -3.715  -0.785
   57    HA   MET  11           HA       MET  11   4.103  -4.940  -1.492
   58    HB2  MET  11           HB2      MET  11   2.432  -4.454  -3.192
   59    HB3  MET  11           HB3      MET  11   2.528  -2.738  -2.839
   60    HG2  MET  11           HG2      MET  11   3.681  -3.295  -4.911
   61    HG3  MET  11           HG3      MET  11   4.797  -2.666  -3.702
   62    HE1  MET  11           HE1      MET  11   5.700  -4.199  -6.341
   63    HE2  MET  11           HE2      MET  11   6.993  -5.211  -5.692
   64    HE3  MET  11           HE3      MET  11   6.810  -3.544  -5.141
   65    H    SER  12           H        SER  12   3.246  -1.731  -0.705
   66    HA   SER  12           HA       SER  12   5.977  -1.291   0.195
   67    HB2  SER  12           HB2      SER  12   5.509  -0.293  -2.081
   68    HB3  SER  12           HB3      SER  12   4.417   0.816  -1.253
   69    HG   SER  12           HG       SER  12   7.158   0.494  -0.587
   70    HA   PRO  13           HA       PRO  13   3.145  -0.163   3.530
   71    HB2  PRO  13           HB2      PRO  13   5.201  -0.232   5.435
   72    HB3  PRO  13           HB3      PRO  13   4.066  -1.530   5.081
   73    HG2  PRO  13           HG2      PRO  13   6.874  -1.342   4.458
   74    HG3  PRO  13           HG3      PRO  13   5.768  -2.729   4.259
   75    HD2  PRO  13           HD2      PRO  13   6.869  -0.965   2.275
   76    HD3  PRO  13           HD3      PRO  13   5.824  -2.378   2.043
   77    H    ILE  14           H        ILE  14   5.905   1.278   2.343
   78    HA   ILE  14           HA       ILE  14   6.012   3.595   3.956
   79    HB   ILE  14           HB       ILE  14   6.887   3.293   1.063
   80   HG12  ILE  14          HG12      ILE  14   8.464   2.982   3.624
   81   HG13  ILE  14          HG13      ILE  14   7.960   1.680   2.558
   82   HG21  ILE  14          HG21      ILE  14   7.721   5.375   3.098
   83   HG22  ILE  14          HG22      ILE  14   6.679   5.657   1.706
   84   HG23  ILE  14          HG23      ILE  14   8.369   5.210   1.465
   85   HD11  ILE  14          HD11      ILE  14  10.294   2.219   2.247
   86   HD12  ILE  14          HD12      ILE  14   9.876   3.892   1.872
   87   HD13  ILE  14          HD13      ILE  14   9.374   2.593   0.789
   88    H    CYS  15           H        CYS  15   4.194   2.591   1.433
   89    HA   CYS  15           HA       CYS  15   2.839   5.157   1.029
   90    HB2  CYS  15           HB2      CYS  15   3.605   3.862  -0.983
   91    HB3  CYS  15           HB3      CYS  15   2.547   2.552  -0.503
   92    HN1  NH2  16           HN1      NH2  16   1.696   5.222   2.941
   93    HN2  NH2  16           HN2      NH2  16   0.419   4.131   3.339
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1  -6.639   4.846  -3.411
    2    H2   GLY   1           H2       GLY   1  -6.145   4.118  -4.835
    3    H3   GLY   1           H3       GLY   1  -6.496   5.777  -4.825
    4    HA2  GLY   1           HA2      GLY   1  -4.134   5.408  -4.863
    5    HA3  GLY   1           HA3      GLY   1  -4.624   6.141  -3.342
    6    H    CYS   2           H        CYS   2  -2.271   4.447  -3.980
    7    HA   CYS   2           HA       CYS   2  -2.634   1.846  -3.129
    8    HB2  CYS   2           HB2      CYS   2  -0.389   3.682  -3.520
    9    HB3  CYS   2           HB3      CYS   2  -0.137   2.166  -2.671
   10    H    CYS   3           H        CYS   3  -1.737   4.782  -1.372
   11    HA   CYS   3           HA       CYS   3  -0.893   3.420   0.936
   12    HB2  CYS   3           HB2      CYS   3  -1.794   6.266   0.587
   13    HB3  CYS   3           HB3      CYS   3  -0.883   5.624   1.952
   14    H    SER   4           H        SER   4  -3.852   4.125  -0.339
   15    HA   SER   4           HA       SER   4  -5.269   3.755   2.224
   16    HB2  SER   4           HB2      SER   4  -6.361   4.741  -0.414
   17    HB3  SER   4           HB3      SER   4  -7.208   4.722   1.133
   18    HG   SER   4           HG       SER   4  -5.865   6.264   1.905
   19    H    HIS   5           H        HIS   5  -4.061   1.792  -0.025
   20    HA   HIS   5           HA       HIS   5  -6.451   0.109  -0.042
   21    HB2  HIS   5           HB2      HIS   5  -6.136   1.085  -2.281
   22    HB3  HIS   5           HB3      HIS   5  -4.498   0.447  -2.336
   23    HD1  HIS   5           HD1      HIS   5  -4.700  -1.264  -4.219
   24    HD2  HIS   5           HD2      HIS   5  -7.771  -1.560  -1.431
   25    HE1  HIS   5           HE1      HIS   5  -5.982  -3.349  -4.810
   26    HA   PRO   6           HA       PRO   6  -3.784  -2.344   2.587
   27    HB2  PRO   6           HB2      PRO   6  -5.713  -4.343   1.469
   28    HB3  PRO   6           HB3      PRO   6  -5.110  -4.177   3.124
   29    HG2  PRO   6           HG2      PRO   6  -7.493  -3.216   2.501
   30    HG3  PRO   6           HG3      PRO   6  -6.403  -2.287   3.545
   31    HD2  PRO   6           HD2      PRO   6  -7.161  -1.809   0.710
   32    HD3  PRO   6           HD3      PRO   6  -6.689  -0.649   1.964
   33    H    VAL   7           H        VAL   7  -4.599  -3.482  -0.669
   34    HA   VAL   7           HA       VAL   7  -2.582  -5.485  -0.736
   35    HB   VAL   7           HB       VAL   7  -3.906  -4.131  -3.103
   36   HG11  VAL   7          HG11      VAL   7  -2.519  -6.804  -2.895
   37   HG12  VAL   7          HG12      VAL   7  -1.908  -5.376  -3.725
   38   HG13  VAL   7          HG13      VAL   7  -3.355  -6.189  -4.322
   39   HG21  VAL   7          HG21      VAL   7  -5.471  -6.025  -3.082
   40   HG22  VAL   7          HG22      VAL   7  -5.576  -5.071  -1.602
   41   HG23  VAL   7          HG23      VAL   7  -4.723  -6.614  -1.599
   42    H    CYS   8           H        CYS   8  -2.622  -2.097  -1.655
   43    HA   CYS   8           HA       CYS   8   0.032  -2.395  -2.820
   44    HB2  CYS   8           HB2      CYS   8  -1.883  -1.199  -4.016
   45    HB3  CYS   8           HB3      CYS   8  -1.639   0.095  -2.847
   46    H    SER   9           H        SER   9  -1.615  -1.058  -0.008
   47    HA   SER   9           HA       SER   9   0.469   0.588   0.773
   48    HB2  SER   9           HB2      SER   9  -0.660   0.488   3.022
   49    HB3  SER   9           HB3      SER   9  -1.724   0.934   1.688
   50    HG   SER   9           HG       SER   9  -1.861  -1.144   3.364
   51    H    ALA  10           H        ALA  10  -0.193  -2.815   1.101
   52    HA   ALA  10           HA       ALA  10   2.109  -3.264   2.824
   53    HB1  ALA  10           HB1      ALA  10   0.266  -5.245   1.472
   54    HB2  ALA  10           HB2      ALA  10   0.077  -4.633   3.114
   55    HB3  ALA  10           HB3      ALA  10   1.477  -5.621   2.697
   56    H    MET  11           H        MET  11   1.446  -2.958  -0.463
   57    HA   MET  11           HA       MET  11   3.586  -4.604  -1.453
   58    HB2  MET  11           HB2      MET  11   1.659  -3.956  -2.901
   59    HB3  MET  11           HB3      MET  11   2.187  -2.282  -2.803
   60    HG2  MET  11           HG2      MET  11   4.264  -2.877  -3.945
   61    HG3  MET  11           HG3      MET  11   3.719  -4.549  -4.060
   62    HE1  MET  11           HE1      MET  11   4.686  -2.930  -6.591
   63    HE2  MET  11           HE2      MET  11   3.441  -3.362  -7.764
   64    HE3  MET  11           HE3      MET  11   4.078  -4.584  -6.666
   65    H    SER  12           H        SER  12   3.091  -1.266  -0.956
   66    HA   SER  12           HA       SER  12   5.974  -0.986  -0.539
   67    HB2  SER  12           HB2      SER  12   5.045   0.348  -2.483
   68    HB3  SER  12           HB3      SER  12   4.111   1.266  -1.294
   69    HG   SER  12           HG       SER  12   6.935   1.046  -1.420
   70    HA   PRO  13           HA       PRO  13   3.846  -0.529   3.487
   71    HB2  PRO  13           HB2      PRO  13   5.958  -1.360   4.997
   72    HB3  PRO  13           HB3      PRO  13   4.810  -2.464   4.234
   73    HG2  PRO  13           HG2      PRO  13   7.552  -1.679   3.362
   74    HG3  PRO  13           HG3      PRO  13   6.734  -3.259   3.275
   75    HD2  PRO  13           HD2      PRO  13   7.043  -1.568   1.159
   76    HD3  PRO  13           HD3      PRO  13   5.726  -2.747   1.296
   77    H    ILE  14           H        ILE  14   6.174   1.134   2.006
   78    HA   ILE  14           HA       ILE  14   7.160   2.801   4.058
   79    HB   ILE  14           HB       ILE  14   6.883   3.411   1.097
   80   HG12  ILE  14          HG12      ILE  14   9.253   2.274   2.600
   81   HG13  ILE  14          HG13      ILE  14   8.214   1.378   1.498
   82   HG21  ILE  14          HG21      ILE  14   7.249   5.415   2.447
   83   HG22  ILE  14          HG22      ILE  14   8.660   5.055   1.450
   84   HG23  ILE  14          HG23      ILE  14   8.676   4.672   3.170
   85   HD11  ILE  14          HD11      ILE  14   8.955   2.758  -0.354
   86   HD12  ILE  14          HD12      ILE  14  10.346   2.043   0.473
   87   HD13  ILE  14          HD13      ILE  14   9.929   3.730   0.746
   88    H    CYS  15           H        CYS  15   4.465   2.661   2.138
   89    HA   CYS  15           HA       CYS  15   3.254   4.931   3.550
   90    HB2  CYS  15           HB2      CYS  15   4.018   5.534   1.201
   91    HB3  CYS  15           HB3      CYS  15   2.816   4.393   0.619
   92    HN1  NH2  16           HN1      NH2  16   2.171   3.477   4.844
   93    HN2  NH2  16           HN2      NH2  16   0.943   2.397   4.285
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1  -0.826   7.364  -4.512
    2    H2   GLY   1           H2       GLY   1  -2.020   8.397  -5.027
    3    H3   GLY   1           H3       GLY   1  -0.635   8.190  -5.982
    4    HA2  GLY   1           HA2      GLY   1  -2.503   6.986  -6.915
    5    HA3  GLY   1           HA3      GLY   1  -1.281   5.874  -6.301
    6    H    CYS   2           H        CYS   2  -2.169   4.195  -5.131
    7    HA   CYS   2           HA       CYS   2  -4.690   4.603  -3.876
    8    HB2  CYS   2           HB2      CYS   2  -4.004   2.166  -3.153
    9    HB3  CYS   2           HB3      CYS   2  -4.604   2.471  -4.811
   10    H    CYS   3           H        CYS   3  -1.738   3.113  -2.802
   11    HA   CYS   3           HA       CYS   3  -0.567   3.046  -0.905
   12    HB2  CYS   3           HB2      CYS   3  -0.138   5.339  -1.438
   13    HB3  CYS   3           HB3      CYS   3  -1.586   5.853  -0.583
   14    H    SER   4           H        SER   4  -3.793   4.336  -0.207
   15    HA   SER   4           HA       SER   4  -3.699   3.201   2.472
   16    HB2  SER   4           HB2      SER   4  -4.502   5.549   2.017
   17    HB3  SER   4           HB3      SER   4  -5.864   4.850   1.150
   18    HG   SER   4           HG       SER   4  -6.342   3.706   3.121
   19    H    HIS   5           H        HIS   5  -3.832   1.519   0.092
   20    HA   HIS   5           HA       HIS   5  -6.396   0.161   0.610
   21    HB2  HIS   5           HB2      HIS   5  -6.119   1.022  -1.768
   22    HB3  HIS   5           HB3      HIS   5  -4.696   0.004  -1.917
   23    HD1  HIS   5           HD1      HIS   5  -5.337  -1.944  -3.416
   24    HD2  HIS   5           HD2      HIS   5  -8.409  -0.848  -0.822
   25    HE1  HIS   5           HE1      HIS   5  -7.196  -3.561  -3.819
   26    HA   PRO   6           HA       PRO   6  -3.957  -2.797   2.873
   27    HB2  PRO   6           HB2      PRO   6  -5.672  -4.651   1.266
   28    HB3  PRO   6           HB3      PRO   6  -5.202  -4.745   2.972
   29    HG2  PRO   6           HG2      PRO   6  -7.577  -3.775   2.320
   30    HG3  PRO   6           HG3      PRO   6  -6.618  -3.021   3.604
   31    HD2  PRO   6           HD2      PRO   6  -7.200  -2.039   0.865
   32    HD3  PRO   6           HD3      PRO   6  -6.820  -1.124   2.338
   33    H    VAL   7           H        VAL   7  -4.506  -3.747  -0.525
   34    HA   VAL   7           HA       VAL   7  -2.165  -5.365  -0.651
   35    HB   VAL   7           HB       VAL   7  -3.627  -4.109  -2.985
   36   HG11  VAL   7          HG11      VAL   7  -2.759  -6.007  -4.273
   37   HG12  VAL   7          HG12      VAL   7  -1.912  -6.586  -2.843
   38   HG13  VAL   7          HG13      VAL   7  -1.451  -5.051  -3.577
   39   HG21  VAL   7          HG21      VAL   7  -5.198  -5.336  -1.593
   40   HG22  VAL   7          HG22      VAL   7  -4.145  -6.752  -1.632
   41   HG23  VAL   7          HG23      VAL   7  -4.921  -6.189  -3.112
   42    H    CYS   8           H        CYS   8  -2.838  -2.024  -1.511
   43    HA   CYS   8           HA       CYS   8  -0.323  -1.503  -2.687
   44    HB2  CYS   8           HB2      CYS   8  -2.469   0.395  -1.645
   45    HB3  CYS   8           HB3      CYS   8  -0.988   0.941  -2.401
   46    H    SER   9           H        SER   9  -1.682  -1.139   0.540
   47    HA   SER   9           HA       SER   9   0.447   0.187   1.693
   48    HB2  SER   9           HB2      SER   9  -1.542  -1.673   2.986
   49    HB3  SER   9           HB3      SER   9  -0.594  -0.428   3.805
   50    HG   SER   9           HG       SER   9  -1.684   0.971   2.057
   51    H    ALA  10           H        ALA  10   0.000  -3.091   0.757
   52    HA   ALA  10           HA       ALA  10   2.045  -4.170   2.497
   53    HB1  ALA  10           HB1      ALA  10   0.481  -5.456   0.270
   54    HB2  ALA  10           HB2      ALA  10   0.085  -5.529   1.988
   55    HB3  ALA  10           HB3      ALA  10   1.559  -6.292   1.384
   56    H    MET  11           H        MET  11   1.604  -3.390  -0.930
   57    HA   MET  11           HA       MET  11   4.161  -4.403  -1.650
   58    HB2  MET  11           HB2      MET  11   3.858  -3.344  -3.846
   59    HB3  MET  11           HB3      MET  11   2.422  -4.231  -3.377
   60    HG2  MET  11           HG2      MET  11   1.436  -2.107  -2.626
   61    HG3  MET  11           HG3      MET  11   2.827  -1.258  -3.264
   62    HE1  MET  11           HE1      MET  11   0.957  -4.398  -4.825
   63    HE2  MET  11           HE2      MET  11  -0.198  -3.589  -5.880
   64    HE3  MET  11           HE3      MET  11  -0.324  -3.404  -4.131
   65    H    SER  12           H        SER  12   3.028  -1.416  -0.558
   66    HA   SER  12           HA       SER  12   5.800  -0.631  -0.211
   67    HB2  SER  12           HB2      SER  12   4.639   0.612  -2.078
   68    HB3  SER  12           HB3      SER  12   3.601   1.301  -0.828
   69    HG   SER  12           HG       SER  12   6.399   1.569  -1.063
   70    HA   PRO  13           HA       PRO  13   3.545  -0.478   3.777
   71    HB2  PRO  13           HB2      PRO  13   5.549  -1.473   5.311
   72    HB3  PRO  13           HB3      PRO  13   4.445  -2.515   4.412
   73    HG2  PRO  13           HG2      PRO  13   7.245  -1.726   3.772
   74    HG3  PRO  13           HG3      PRO  13   6.417  -3.272   3.505
   75    HD2  PRO  13           HD2      PRO  13   6.864  -1.356   1.561
   76    HD3  PRO  13           HD3      PRO  13   5.609  -2.606   1.477
   77    H    ILE  14           H        ILE  14   5.975   1.097   2.344
   78    HA   ILE  14           HA       ILE  14   6.807   2.642   4.613
   79    HB   ILE  14           HB       ILE  14   7.675   2.896   1.703
   80   HG12  ILE  14          HG12      ILE  14   9.047   1.495   4.011
   81   HG13  ILE  14          HG13      ILE  14   8.189   0.689   2.706
   82   HG21  ILE  14          HG21      ILE  14   8.929   4.007   4.227
   83   HG22  ILE  14          HG22      ILE  14   8.098   4.945   2.984
   84   HG23  ILE  14          HG23      ILE  14   9.613   4.126   2.605
   85   HD11  ILE  14          HD11      ILE  14  10.667   2.368   2.436
   86   HD12  ILE  14          HD12      ILE  14   9.811   1.577   1.112
   87   HD13  ILE  14          HD13      ILE  14  10.583   0.608   2.366
   88    H    CYS  15           H        CYS  15   4.502   2.562   2.371
   89    HA   CYS  15           HA       CYS  15   3.864   5.417   2.622
   90    HB2  CYS  15           HB2      CYS  15   4.064   4.519   0.248
   91    HB3  CYS  15           HB3      CYS  15   2.663   3.509   0.582
   92    HN1  NH2  16           HN1      NH2  16   1.979   2.429   2.118
   93    HN2  NH2  16           HN2      NH2  16   0.883   2.739   3.421
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1  -6.123   6.195  -1.712
    2    H2   GLY   1           H2       GLY   1  -7.231   5.259  -2.554
    3    H3   GLY   1           H3       GLY   1  -6.959   6.889  -2.998
    4    HA2  GLY   1           HA2      GLY   1  -5.849   5.333  -4.505
    5    HA3  GLY   1           HA3      GLY   1  -4.722   6.379  -3.645
    6    H    CYS   2           H        CYS   2  -3.216   4.557  -4.224
    7    HA   CYS   2           HA       CYS   2  -3.631   2.032  -3.091
    8    HB2  CYS   2           HB2      CYS   2  -1.611   3.386  -4.647
    9    HB3  CYS   2           HB3      CYS   2  -1.005   2.142  -3.573
   10    H    CYS   3           H        CYS   3  -2.021   4.922  -1.955
   11    HA   CYS   3           HA       CYS   3  -0.585   3.593   0.060
   12    HB2  CYS   3           HB2      CYS   3  -1.295   6.469  -0.332
   13    HB3  CYS   3           HB3      CYS   3  -0.288   5.863   0.981
   14    H    SER   4           H        SER   4  -3.702   4.034  -0.277
   15    HA   SER   4           HA       SER   4  -4.191   3.581   2.569
   16    HB2  SER   4           HB2      SER   4  -6.366   4.853   2.279
   17    HB3  SER   4           HB3      SER   4  -4.911   5.838   2.212
   18    HG   SER   4           HG       SER   4  -5.303   6.332   0.268
   19    H    HIS   5           H        HIS   5  -3.739   1.767   0.383
   20    HA   HIS   5           HA       HIS   5  -6.322   0.405   0.340
   21    HB2  HIS   5           HB2      HIS   5  -5.931   1.487  -1.870
   22    HB3  HIS   5           HB3      HIS   5  -4.392   0.643  -1.966
   23    HD1  HIS   5           HD1      HIS   5  -8.115  -0.189  -1.924
   24    HD2  HIS   5           HD2      HIS   5  -4.463  -1.746  -3.123
   25    HE1  HIS   5           HE1      HIS   5  -8.629  -2.346  -3.121
   26    HA   PRO   6           HA       PRO   6  -4.190  -2.680   2.647
   27    HB2  PRO   6           HB2      PRO   6  -5.786  -4.394   0.785
   28    HB3  PRO   6           HB3      PRO   6  -5.501  -4.597   2.519
   29    HG2  PRO   6           HG2      PRO   6  -7.756  -3.499   1.671
   30    HG3  PRO   6           HG3      PRO   6  -6.921  -2.857   3.095
   31    HD2  PRO   6           HD2      PRO   6  -7.175  -1.691   0.384
   32    HD3  PRO   6           HD3      PRO   6  -6.899  -0.886   1.941
   33    H    VAL   7           H        VAL   7  -4.484  -3.833  -0.752
   34    HA   VAL   7           HA       VAL   7  -2.098  -5.335  -0.455
   35    HB   VAL   7           HB       VAL   7  -3.878  -6.047  -1.999
   36   HG11  VAL   7          HG11      VAL   7  -4.551  -3.975  -2.961
   37   HG12  VAL   7          HG12      VAL   7  -4.035  -5.071  -4.247
   38   HG13  VAL   7          HG13      VAL   7  -2.974  -3.768  -3.716
   39   HG21  VAL   7          HG21      VAL   7  -1.184  -5.683  -3.301
   40   HG22  VAL   7          HG22      VAL   7  -2.433  -6.797  -3.851
   41   HG23  VAL   7          HG23      VAL   7  -1.690  -7.022  -2.270
   42    H    CYS   8           H        CYS   8  -2.656  -2.122  -1.782
   43    HA   CYS   8           HA       CYS   8  -0.075  -2.024  -3.014
   44    HB2  CYS   8           HB2      CYS   8  -1.744   0.338  -2.169
   45    HB3  CYS   8           HB3      CYS   8  -0.445   0.283  -3.353
   46    H    SER   9           H        SER   9  -1.498  -0.931   0.054
   47    HA   SER   9           HA       SER   9   0.783   0.337   0.963
   48    HB2  SER   9           HB2      SER   9  -1.538  -0.810   2.499
   49    HB3  SER   9           HB3      SER   9  -0.380   0.371   3.123
   50    HG   SER   9           HG       SER   9  -1.307   1.254   0.802
   51    H    ALA  10           H        ALA  10   0.070  -2.932   0.558
   52    HA   ALA  10           HA       ALA  10   1.884  -3.908   2.619
   53    HB1  ALA  10           HB1      ALA  10   0.349  -5.377   0.470
   54    HB2  ALA  10           HB2      ALA  10  -0.160  -5.189   2.147
   55    HB3  ALA  10           HB3      ALA  10   1.282  -6.131   1.762
   56    H    MET  11           H        MET  11   1.618  -3.579  -0.874
   57    HA   MET  11           HA       MET  11   4.106  -4.744  -1.550
   58    HB2  MET  11           HB2      MET  11   2.497  -2.647  -3.021
   59    HB3  MET  11           HB3      MET  11   3.892  -3.475  -3.696
   60    HG2  MET  11           HG2      MET  11   1.331  -4.790  -2.822
   61    HG3  MET  11           HG3      MET  11   1.763  -4.400  -4.484
   62    HE1  MET  11           HE1      MET  11   1.301  -6.935  -5.185
   63    HE2  MET  11           HE2      MET  11   0.856  -7.289  -3.519
   64    HE3  MET  11           HE3      MET  11   2.019  -8.317  -4.359
   65    H    SER  12           H        SER  12   3.127  -1.573  -0.841
   66    HA   SER  12           HA       SER  12   5.893  -0.948  -0.190
   67    HB2  SER  12           HB2      SER  12   5.058   0.193  -2.268
   68    HB3  SER  12           HB3      SER  12   3.905   1.050  -1.247
   69    HG   SER  12           HG       SER  12   6.693   1.228  -1.325
   70    HA   PRO  13           HA       PRO  13   3.317  -0.425   3.529
   71    HB2  PRO  13           HB2      PRO  13   5.203  -1.196   5.309
   72    HB3  PRO  13           HB3      PRO  13   4.208  -2.353   4.419
   73    HG2  PRO  13           HG2      PRO  13   7.032  -1.521   3.942
   74    HG3  PRO  13           HG3      PRO  13   6.272  -3.118   3.759
   75    HD2  PRO  13           HD2      PRO  13   6.838  -1.380   1.695
   76    HD3  PRO  13           HD3      PRO  13   5.620  -2.670   1.622
   77    H    ILE  14           H        ILE  14   5.781   1.140   2.195
   78    HA   ILE  14           HA       ILE  14   6.462   2.908   4.335
   79    HB   ILE  14           HB       ILE  14   7.132   3.201   1.381
   80   HG12  ILE  14          HG12      ILE  14   8.786   1.847   3.527
   81   HG13  ILE  14          HG13      ILE  14   7.850   0.995   2.307
   82   HG21  ILE  14          HG21      ILE  14   8.520   4.294   3.840
   83   HG22  ILE  14          HG22      ILE  14   7.511   5.224   2.735
   84   HG23  ILE  14          HG23      ILE  14   9.033   4.535   2.168
   85   HD11  ILE  14          HD11      ILE  14   9.235   2.009   0.562
   86   HD12  ILE  14          HD12      ILE  14  10.187   1.067   1.707
   87   HD13  ILE  14          HD13      ILE  14  10.183   2.830   1.804
   88    H    CYS  15           H        CYS  15   4.114   2.563   2.097
   89    HA   CYS  15           HA       CYS  15   2.964   5.189   2.642
   90    HB2  CYS  15           HB2      CYS  15   4.345   5.106   0.452
   91    HB3  CYS  15           HB3      CYS  15   3.034   4.094  -0.139
   92    HN1  NH2  16           HN1      NH2  16   1.488   3.989   3.878
   93    HN2  NH2  16           HN2      NH2  16   0.285   2.956   3.183
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1  -0.524   6.724  -4.443
    2    H2   GLY   1           H2       GLY   1  -1.581   8.013  -4.279
    3    H3   GLY   1           H3       GLY   1  -0.542   7.946  -5.609
    4    HA2  GLY   1           HA2      GLY   1  -2.758   7.340  -6.268
    5    HA3  GLY   1           HA3      GLY   1  -1.667   5.964  -6.383
    6    H    CYS   2           H        CYS   2  -1.887   4.236  -4.871
    7    HA   CYS   2           HA       CYS   2  -4.485   4.037  -3.716
    8    HB2  CYS   2           HB2      CYS   2  -3.359   1.818  -3.034
    9    HB3  CYS   2           HB3      CYS   2  -3.878   2.045  -4.713
   10    H    CYS   3           H        CYS   3  -1.338   3.233  -2.519
   11    HA   CYS   3           HA       CYS   3  -0.249   3.361  -0.606
   12    HB2  CYS   3           HB2      CYS   3  -0.413   5.713  -1.025
   13    HB3  CYS   3           HB3      CYS   3  -1.937   5.799  -0.150
   14    H    SER   4           H        SER   4  -3.529   4.292   0.491
   15    HA   SER   4           HA       SER   4  -3.135   2.579   2.819
   16    HB2  SER   4           HB2      SER   4  -3.971   4.926   3.080
   17    HB3  SER   4           HB3      SER   4  -5.409   4.485   2.167
   18    HG   SER   4           HG       SER   4  -5.981   3.079   3.798
   19    H    HIS   5           H        HIS   5  -3.766   1.745  -0.008
   20    HA   HIS   5           HA       HIS   5  -6.336   0.350   0.230
   21    HB2  HIS   5           HB2      HIS   5  -5.649   1.407  -1.960
   22    HB3  HIS   5           HB3      HIS   5  -4.259   0.339  -1.994
   23    HD1  HIS   5           HD1      HIS   5  -4.585  -1.797  -3.357
   24    HD2  HIS   5           HD2      HIS   5  -8.181  -0.088  -2.114
   25    HE1  HIS   5           HE1      HIS   5  -6.399  -3.106  -4.473
   26    HA   PRO   6           HA       PRO   6  -4.422  -3.072   2.328
   27    HB2  PRO   6           HB2      PRO   6  -6.086  -4.769   0.526
   28    HB3  PRO   6           HB3      PRO   6  -5.915  -4.831   2.278
   29    HG2  PRO   6           HG2      PRO   6  -8.084  -3.734   1.143
   30    HG3  PRO   6           HG3      PRO   6  -7.393  -3.099   2.642
   31    HD2  PRO   6           HD2      PRO   6  -7.318  -1.970  -0.100
   32    HD3  PRO   6           HD3      PRO   6  -7.240  -1.149   1.470
   33    H    VAL   7           H        VAL   7  -5.041  -4.020  -1.076
   34    HA   VAL   7           HA       VAL   7  -2.339  -5.010  -1.192
   35    HB   VAL   7           HB       VAL   7  -4.361  -4.856  -3.467
   36   HG11  VAL   7          HG11      VAL   7  -2.917  -6.524  -4.562
   37   HG12  VAL   7          HG12      VAL   7  -1.796  -6.436  -3.207
   38   HG13  VAL   7          HG13      VAL   7  -2.043  -5.028  -4.238
   39   HG21  VAL   7          HG21      VAL   7  -4.791  -7.216  -3.064
   40   HG22  VAL   7          HG22      VAL   7  -5.136  -6.290  -1.597
   41   HG23  VAL   7          HG23      VAL   7  -3.645  -7.214  -1.731
   42    H    CYS   8           H        CYS   8  -1.554  -3.037  -0.630
   43    HA   CYS   8           HA       CYS   8  -0.076  -1.792  -2.603
   44    HB2  CYS   8           HB2      CYS   8  -2.185  -0.571  -3.224
   45    HB3  CYS   8           HB3      CYS   8  -2.272   0.040  -1.572
   46    H    SER   9           H        SER   9  -1.676  -1.184   0.566
   47    HA   SER   9           HA       SER   9   0.406   0.184   1.717
   48    HB2  SER   9           HB2      SER   9  -1.433  -1.767   3.097
   49    HB3  SER   9           HB3      SER   9  -0.581  -0.403   3.826
   50    HG   SER   9           HG       SER   9  -1.798   0.841   2.135
   51    H    ALA  10           H        ALA  10  -0.252  -3.224   1.290
   52    HA   ALA  10           HA       ALA  10   1.928  -4.242   2.826
   53    HB1  ALA  10           HB1      ALA  10   1.331  -6.371   1.775
   54    HB2  ALA  10           HB2      ALA  10   0.231  -5.522   0.690
   55    HB3  ALA  10           HB3      ALA  10  -0.091  -5.551   2.423
   56    H    MET  11           H        MET  11   1.529  -3.018  -0.352
   57    HA   MET  11           HA       MET  11   3.874  -4.377  -1.363
   58    HB2  MET  11           HB2      MET  11   2.086  -2.352  -2.702
   59    HB3  MET  11           HB3      MET  11   3.434  -3.167  -3.482
   60    HG2  MET  11           HG2      MET  11   0.953  -4.464  -2.391
   61    HG3  MET  11           HG3      MET  11   1.330  -4.201  -4.090
   62    HE1  MET  11           HE1      MET  11   1.609  -8.063  -3.792
   63    HE2  MET  11           HE2      MET  11   0.905  -6.709  -4.676
   64    HE3  MET  11           HE3      MET  11   0.453  -6.997  -2.995
   65    H    SER  12           H        SER  12   2.906  -1.282  -0.363
   66    HA   SER  12           HA       SER  12   5.722  -0.633  -0.102
   67    HB2  SER  12           HB2      SER  12   4.627   0.450  -2.105
   68    HB3  SER  12           HB3      SER  12   3.687   1.394  -0.950
   69    HG   SER  12           HG       SER  12   6.294   1.644  -1.682
   70    HA   PRO  13           HA       PRO  13   3.640   0.264   3.871
   71    HB2  PRO  13           HB2      PRO  13   5.640  -0.708   5.446
   72    HB3  PRO  13           HB3      PRO  13   4.363  -1.736   4.796
   73    HG2  PRO  13           HG2      PRO  13   7.172  -1.414   3.905
   74    HG3  PRO  13           HG3      PRO  13   6.139  -2.860   3.892
   75    HD2  PRO  13           HD2      PRO  13   6.728  -1.271   1.699
   76    HD3  PRO  13           HD3      PRO  13   5.348  -2.380   1.815
   77    H    ILE  14           H        ILE  14   6.104   1.299   2.108
   78    HA   ILE  14           HA       ILE  14   7.478   3.058   3.857
   79    HB   ILE  14           HB       ILE  14   7.283   3.170   0.828
   80   HG12  ILE  14          HG12      ILE  14   9.341   1.745   2.529
   81   HG13  ILE  14          HG13      ILE  14   8.065   0.964   1.609
   82   HG21  ILE  14          HG21      ILE  14   9.379   4.288   2.688
   83   HG22  ILE  14          HG22      ILE  14   8.185   5.221   1.786
   84   HG23  ILE  14          HG23      ILE  14   9.445   4.334   0.927
   85   HD11  ILE  14          HD11      ILE  14  10.339   2.576   0.467
   86   HD12  ILE  14          HD12      ILE  14   9.058   1.802  -0.466
   87   HD13  ILE  14          HD13      ILE  14  10.195   0.817   0.455
   88    H    CYS  15           H        CYS  15   4.618   3.037   2.275
   89    HA   CYS  15           HA       CYS  15   4.276   5.940   2.211
   90    HB2  CYS  15           HB2      CYS  15   3.460   4.469   0.296
   91    HB3  CYS  15           HB3      CYS  15   2.218   3.878   1.391
   92    HN1  NH2  16           HN1      NH2  16   4.182   6.452   4.349
   93    HN2  NH2  16           HN2      NH2  16   2.920   5.966   5.421
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1  -5.942   7.832  -3.689
    2    H2   GLY   1           H2       GLY   1  -6.722   6.424  -3.170
    3    H3   GLY   1           H3       GLY   1  -5.699   6.362  -4.504
    4    HA2  GLY   1           HA2      GLY   1  -3.817   6.890  -3.093
    5    HA3  GLY   1           HA3      GLY   1  -4.914   6.917  -1.718
    6    H    CYS   2           H        CYS   2  -3.270   4.945  -4.029
    7    HA   CYS   2           HA       CYS   2  -4.501   2.447  -3.473
    8    HB2  CYS   2           HB2      CYS   2  -2.866   3.206  -5.351
    9    HB3  CYS   2           HB3      CYS   2  -1.659   2.747  -4.167
   10    H    CYS   3           H        CYS   3  -1.860   4.238  -2.117
   11    HA   CYS   3           HA       CYS   3  -0.896   2.173  -0.470
   12    HB2  CYS   3           HB2      CYS   3  -0.521   5.149  -0.255
   13    HB3  CYS   3           HB3      CYS   3   0.390   3.918   0.608
   14    H    SER   4           H        SER   4  -3.570   4.075  -0.308
   15    HA   SER   4           HA       SER   4  -3.959   3.794   2.595
   16    HB2  SER   4           HB2      SER   4  -5.820   4.983   0.517
   17    HB3  SER   4           HB3      SER   4  -6.007   5.087   2.267
   18    HG   SER   4           HG       SER   4  -3.588   5.944   1.308
   19    H    HIS   5           H        HIS   5  -3.952   1.657   0.312
   20    HA   HIS   5           HA       HIS   5  -6.255   0.210   1.315
   21    HB2  HIS   5           HB2      HIS   5  -6.863   1.362  -0.861
   22    HB3  HIS   5           HB3      HIS   5  -5.592   0.443  -1.643
   23    HD1  HIS   5           HD1      HIS   5  -6.803  -1.260  -3.083
   24    HD2  HIS   5           HD2      HIS   5  -8.545  -0.823   0.667
   25    HE1  HIS   5           HE1      HIS   5  -8.615  -2.996  -2.939
   26    HA   PRO   6           HA       PRO   6  -3.407  -3.095   2.269
   27    HB2  PRO   6           HB2      PRO   6  -5.491  -4.490   0.636
   28    HB3  PRO   6           HB3      PRO   6  -4.644  -5.069   2.078
   29    HG2  PRO   6           HG2      PRO   6  -7.061  -3.961   2.290
   30    HG3  PRO   6           HG3      PRO   6  -5.803  -3.652   3.497
   31    HD2  PRO   6           HD2      PRO   6  -6.958  -1.829   1.511
   32    HD3  PRO   6           HD3      PRO   6  -6.011  -1.448   2.964
   33    H    VAL   7           H        VAL   7  -4.648  -3.166  -1.077
   34    HA   VAL   7           HA       VAL   7  -2.779  -4.871  -2.183
   35    HB   VAL   7           HB       VAL   7  -3.317  -3.922  -4.405
   36   HG11  VAL   7          HG11      VAL   7  -5.721  -4.393  -4.358
   37   HG12  VAL   7          HG12      VAL   7  -5.695  -4.302  -2.597
   38   HG13  VAL   7          HG13      VAL   7  -4.799  -5.573  -3.429
   39   HG21  VAL   7          HG21      VAL   7  -4.912  -1.893  -2.842
   40   HG22  VAL   7          HG22      VAL   7  -4.951  -2.115  -4.593
   41   HG23  VAL   7          HG23      VAL   7  -3.471  -1.563  -3.808
   42    H    CYS   8           H        CYS   8  -2.411  -1.347  -1.859
   43    HA   CYS   8           HA       CYS   8   0.326  -1.743  -2.791
   44    HB2  CYS   8           HB2      CYS   8  -1.282   0.792  -2.550
   45    HB3  CYS   8           HB3      CYS   8   0.435   0.774  -2.940
   46    H    SER   9           H        SER   9  -1.544  -0.953  -0.010
   47    HA   SER   9           HA       SER   9   0.438   0.283   1.471
   48    HB2  SER   9           HB2      SER   9  -1.952   0.385   2.039
   49    HB3  SER   9           HB3      SER   9  -1.920  -1.321   2.473
   50    HG   SER   9           HG       SER   9  -1.735  -0.117   4.288
   51    H    ALA  10           H        ALA  10  -0.333  -3.144   1.022
   52    HA   ALA  10           HA       ALA  10   1.726  -3.937   2.922
   53    HB1  ALA  10           HB1      ALA  10   1.012  -6.224   2.452
   54    HB2  ALA  10           HB2      ALA  10  -0.031  -5.642   1.155
   55    HB3  ALA  10           HB3      ALA  10  -0.382  -5.211   2.830
   56    H    MET  11           H        MET  11   1.529  -3.046  -0.219
   57    HA   MET  11           HA       MET  11   3.646  -4.726  -1.260
   58    HB2  MET  11           HB2      MET  11   1.809  -3.942  -2.740
   59    HB3  MET  11           HB3      MET  11   2.296  -2.289  -2.420
   60    HG2  MET  11           HG2      MET  11   4.386  -2.645  -3.579
   61    HG3  MET  11           HG3      MET  11   3.977  -4.342  -3.839
   62    HE1  MET  11           HE1      MET  11   3.637  -2.785  -7.445
   63    HE2  MET  11           HE2      MET  11   4.473  -3.979  -6.446
   64    HE3  MET  11           HE3      MET  11   4.784  -2.261  -6.214
   65    H    SER  12           H        SER  12   3.136  -1.437  -0.492
   66    HA   SER  12           HA       SER  12   5.945  -1.201   0.204
   67    HB2  SER  12           HB2      SER  12   5.405  -0.203  -2.025
   68    HB3  SER  12           HB3      SER  12   4.367   0.943  -1.198
   69    HG   SER  12           HG       SER  12   7.150   0.700  -1.121
   70    HA   PRO  13           HA       PRO  13   3.409   0.305   3.721
   71    HB2  PRO  13           HB2      PRO  13   5.112  -0.531   5.665
   72    HB3  PRO  13           HB3      PRO  13   3.935  -1.616   4.917
   73    HG2  PRO  13           HG2      PRO  13   6.865  -1.354   4.400
   74    HG3  PRO  13           HG3      PRO  13   5.861  -2.812   4.462
   75    HD2  PRO  13           HD2      PRO  13   6.682  -1.596   2.146
   76    HD3  PRO  13           HD3      PRO  13   5.230  -2.607   2.274
   77    H    ILE  14           H        ILE  14   6.117   1.130   2.228
   78    HA   ILE  14           HA       ILE  14   7.237   3.068   4.005
   79    HB   ILE  14           HB       ILE  14   7.700   2.707   1.030
   80   HG12  ILE  14          HG12      ILE  14   9.250   1.442   3.298
   81   HG13  ILE  14          HG13      ILE  14   8.072   0.599   2.303
   82   HG21  ILE  14          HG21      ILE  14   8.562   4.816   1.889
   83   HG22  ILE  14          HG22      ILE  14   9.895   3.740   1.471
   84   HG23  ILE  14          HG23      ILE  14   9.436   3.961   3.158
   85   HD11  ILE  14          HD11      ILE  14  10.658   1.815   1.362
   86   HD12  ILE  14          HD12      ILE  14   9.467   1.026   0.329
   87   HD13  ILE  14          HD13      ILE  14  10.314   0.095   1.564
   88    H    CYS  15           H        CYS  15   4.897   2.762   1.758
   89    HA   CYS  15           HA       CYS  15   4.693   5.549   0.932
   90    HB2  CYS  15           HB2      CYS  15   4.376   3.666  -0.707
   91    HB3  CYS  15           HB3      CYS  15   2.933   3.210   0.177
   92    HN1  NH2  16           HN1      NH2  16   3.985   6.665   2.660
   93    HN2  NH2  16           HN2      NH2  16   2.506   6.375   3.501
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1  -6.882   6.485  -2.184
    2    H2   GLY   1           H2       GLY   1  -6.057   7.909  -1.742
    3    H3   GLY   1           H3       GLY   1  -5.665   6.418  -1.045
    4    HA2  GLY   1           HA2      GLY   1  -5.344   6.966  -3.912
    5    HA3  GLY   1           HA3      GLY   1  -4.050   7.057  -2.720
    6    H    CYS   2           H        CYS   2  -2.913   5.326  -3.673
    7    HA   CYS   2           HA       CYS   2  -4.247   2.725  -3.889
    8    HB2  CYS   2           HB2      CYS   2  -2.276   3.773  -5.404
    9    HB3  CYS   2           HB3      CYS   2  -1.323   3.098  -4.085
   10    H    CYS   3           H        CYS   3  -1.618   4.321  -2.147
   11    HA   CYS   3           HA       CYS   3  -0.847   2.082  -0.639
   12    HB2  CYS   3           HB2      CYS   3  -0.292   4.995  -0.225
   13    HB3  CYS   3           HB3      CYS   3   0.524   3.661   0.577
   14    H    SER   4           H        SER   4  -3.397   4.139  -0.295
   15    HA   SER   4           HA       SER   4  -3.705   3.783   2.570
   16    HB2  SER   4           HB2      SER   4  -5.902   4.970   2.106
   17    HB3  SER   4           HB3      SER   4  -4.443   5.871   1.677
   18    HG   SER   4           HG       SER   4  -6.229   4.481  -0.008
   19    H    HIS   5           H        HIS   5  -4.007   1.795   0.020
   20    HA   HIS   5           HA       HIS   5  -6.365   0.431   1.038
   21    HB2  HIS   5           HB2      HIS   5  -6.843   1.489  -1.136
   22    HB3  HIS   5           HB3      HIS   5  -5.440   0.706  -1.842
   23    HD1  HIS   5           HD1      HIS   5  -8.718  -0.330  -0.207
   24    HD2  HIS   5           HD2      HIS   5  -6.051  -1.524  -3.134
   25    HE1  HIS   5           HE1      HIS   5  -9.673  -2.449  -1.182
   26    HA   PRO   6           HA       PRO   6  -3.994  -2.931   2.582
   27    HB2  PRO   6           HB2      PRO   6  -5.710  -4.407   0.650
   28    HB3  PRO   6           HB3      PRO   6  -5.300  -4.823   2.314
   29    HG2  PRO   6           HG2      PRO   6  -7.605  -3.543   1.581
   30    HG3  PRO   6           HG3      PRO   6  -6.872  -3.415   3.185
   31    HD2  PRO   6           HD2      PRO   6  -7.207  -1.374   1.214
   32    HD3  PRO   6           HD3      PRO   6  -6.432  -1.215   2.801
   33    H    VAL   7           H        VAL   7  -4.605  -3.539  -0.880
   34    HA   VAL   7           HA       VAL   7  -2.371  -5.188  -1.170
   35    HB   VAL   7           HB       VAL   7  -4.267  -5.345  -2.691
   36   HG11  VAL   7          HG11      VAL   7  -3.382  -2.709  -3.821
   37   HG12  VAL   7          HG12      VAL   7  -4.855  -3.046  -2.910
   38   HG13  VAL   7          HG13      VAL   7  -4.628  -3.760  -4.510
   39   HG21  VAL   7          HG21      VAL   7  -1.704  -4.700  -4.130
   40   HG22  VAL   7          HG22      VAL   7  -3.067  -5.599  -4.809
   41   HG23  VAL   7          HG23      VAL   7  -2.167  -6.255  -3.444
   42    H    CYS   8           H        CYS   8  -2.620  -1.692  -1.797
   43    HA   CYS   8           HA       CYS   8   0.075  -1.691  -2.873
   44    HB2  CYS   8           HB2      CYS   8  -1.468   0.780  -2.101
   45    HB3  CYS   8           HB3      CYS   8  -0.274   0.614  -3.374
   46    H    SER   9           H        SER   9  -1.642  -1.117   0.121
   47    HA   SER   9           HA       SER   9   0.277   0.246   1.522
   48    HB2  SER   9           HB2      SER   9  -1.726  -1.761   2.571
   49    HB3  SER   9           HB3      SER   9  -0.921  -0.503   3.513
   50    HG   SER   9           HG       SER   9  -1.962   1.048   2.242
   51    H    ALA  10           H        ALA  10  -0.273  -3.187   0.949
   52    HA   ALA  10           HA       ALA  10   1.804  -4.144   2.666
   53    HB1  ALA  10           HB1      ALA  10   0.416  -5.547   0.388
   54    HB2  ALA  10           HB2      ALA  10  -0.168  -5.494   2.046
   55    HB3  ALA  10           HB3      ALA  10   1.354  -6.310   1.674
   56    H    MET  11           H        MET  11   1.475  -3.516  -0.785
   57    HA   MET  11           HA       MET  11   3.975  -4.532  -1.543
   58    HB2  MET  11           HB2      MET  11   2.218  -4.068  -3.188
   59    HB3  MET  11           HB3      MET  11   2.360  -2.349  -2.857
   60    HG2  MET  11           HG2      MET  11   3.480  -2.956  -4.928
   61    HG3  MET  11           HG3      MET  11   4.625  -2.342  -3.735
   62    HE1  MET  11           HE1      MET  11   6.763  -4.963  -5.688
   63    HE2  MET  11           HE2      MET  11   6.668  -3.301  -5.106
   64    HE3  MET  11           HE3      MET  11   5.543  -3.869  -6.339
   65    H    SER  12           H        SER  12   3.030  -1.380  -0.605
   66    HA   SER  12           HA       SER  12   5.837  -0.885   0.007
   67    HB2  SER  12           HB2      SER  12   5.053   0.300  -2.062
   68    HB3  SER  12           HB3      SER  12   3.966   1.204  -1.006
   69    HG   SER  12           HG       SER  12   6.729   1.349  -1.202
   70    HA   PRO  13           HA       PRO  13   3.438  -0.084   3.768
   71    HB2  PRO  13           HB2      PRO  13   5.441  -0.844   5.492
   72    HB3  PRO  13           HB3      PRO  13   4.247  -1.956   4.825
   73    HG2  PRO  13           HG2      PRO  13   7.095  -1.625   4.131
   74    HG3  PRO  13           HG3      PRO  13   6.033  -3.029   3.938
   75    HD2  PRO  13           HD2      PRO  13   6.856  -1.242   1.926
   76    HD3  PRO  13           HD3      PRO  13   5.595  -2.480   1.790
   77    H    ILE  14           H        ILE  14   6.147   1.134   2.355
   78    HA   ILE  14           HA       ILE  14   6.918   3.044   4.343
   79    HB   ILE  14           HB       ILE  14   7.595   2.990   1.389
   80   HG12  ILE  14          HG12      ILE  14   9.188   1.823   3.678
   81   HG13  ILE  14          HG13      ILE  14   8.197   0.877   2.575
   82   HG21  ILE  14          HG21      ILE  14   9.567   4.303   2.033
   83   HG22  ILE  14          HG22      ILE  14   9.005   4.324   3.704
   84   HG23  ILE  14          HG23      ILE  14   8.069   5.138   2.450
   85   HD11  ILE  14          HD11      ILE  14   9.611   1.624   0.713
   86   HD12  ILE  14          HD12      ILE  14  10.507   0.747   1.946
   87   HD13  ILE  14          HD13      ILE  14  10.622   2.508   1.857
   88    H    CYS  15           H        CYS  15   4.979   2.699   1.753
   89    HA   CYS  15           HA       CYS  15   4.290   5.498   1.357
   90    HB2  CYS  15           HB2      CYS  15   4.731   3.990  -0.592
   91    HB3  CYS  15           HB3      CYS  15   3.332   3.041  -0.123
   92    HN1  NH2  16           HN1      NH2  16   2.525   2.432   1.858
   93    HN2  NH2  16           HN2      NH2  16   1.227   3.135   2.750
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1  -1.082   8.203  -5.607
    2    H2   GLY   1           H2       GLY   1   0.527   8.596  -5.249
    3    H3   GLY   1           H3       GLY   1  -0.645   8.509  -4.018
    4    HA2  GLY   1           HA2      GLY   1   0.203   6.232  -5.679
    5    HA3  GLY   1           HA3      GLY   1   0.745   6.537  -4.032
    6    H    CYS   2           H        CYS   2  -0.386   4.181  -4.115
    7    HA   CYS   2           HA       CYS   2  -3.200   4.271  -3.912
    8    HB2  CYS   2           HB2      CYS   2  -2.788   1.924  -3.170
    9    HB3  CYS   2           HB3      CYS   2  -2.175   2.320  -4.782
   10    H    CYS   3           H        CYS   3  -0.690   3.292  -1.690
   11    HA   CYS   3           HA       CYS   3  -0.259   3.529   0.465
   12    HB2  CYS   3           HB2      CYS   3  -0.292   5.856  -0.171
   13    HB3  CYS   3           HB3      CYS   3  -1.992   5.958   0.269
   14    H    SER   4           H        SER   4  -3.749   4.331   0.248
   15    HA   SER   4           HA       SER   4  -4.075   2.960   2.800
   16    HB2  SER   4           HB2      SER   4  -5.003   5.259   2.528
   17    HB3  SER   4           HB3      SER   4  -6.071   4.656   1.268
   18    HG   SER   4           HG       SER   4  -6.278   3.165   3.522
   19    H    HIS   5           H        HIS   5  -4.007   1.959  -0.237
   20    HA   HIS   5           HA       HIS   5  -6.433   0.334  -0.156
   21    HB2  HIS   5           HB2      HIS   5  -5.612   1.429  -2.312
   22    HB3  HIS   5           HB3      HIS   5  -4.245   0.328  -2.267
   23    HD1  HIS   5           HD1      HIS   5  -8.052   0.228  -2.606
   24    HD2  HIS   5           HD2      HIS   5  -4.694  -2.089  -3.441
   25    HE1  HIS   5           HE1      HIS   5  -8.878  -1.712  -3.954
   26    HA   PRO   6           HA       PRO   6  -4.523  -2.530   2.648
   27    HB2  PRO   6           HB2      PRO   6  -6.101  -4.413   0.941
   28    HB3  PRO   6           HB3      PRO   6  -5.908  -4.390   2.698
   29    HG2  PRO   6           HG2      PRO   6  -8.074  -3.332   1.584
   30    HG3  PRO   6           HG3      PRO   6  -7.298  -2.560   2.968
   31    HD2  PRO   6           HD2      PRO   6  -7.365  -1.696   0.135
   32    HD3  PRO   6           HD3      PRO   6  -7.122  -0.734   1.606
   33    H    VAL   7           H        VAL   7  -4.764  -4.221  -0.497
   34    HA   VAL   7           HA       VAL   7  -2.434  -5.722  -0.040
   35    HB   VAL   7           HB       VAL   7  -3.865  -5.137  -2.649
   36   HG11  VAL   7          HG11      VAL   7  -2.689  -7.066  -3.584
   37   HG12  VAL   7          HG12      VAL   7  -1.808  -7.279  -2.078
   38   HG13  VAL   7          HG13      VAL   7  -1.525  -5.844  -3.066
   39   HG21  VAL   7          HG21      VAL   7  -3.940  -7.512  -0.808
   40   HG22  VAL   7          HG22      VAL   7  -4.789  -7.375  -2.343
   41   HG23  VAL   7          HG23      VAL   7  -5.206  -6.305  -1.001
   42    H    CYS   8           H        CYS   8  -2.907  -2.707  -1.764
   43    HA   CYS   8           HA       CYS   8  -0.239  -2.628  -2.762
   44    HB2  CYS   8           HB2      CYS   8  -2.227  -1.446  -3.820
   45    HB3  CYS   8           HB3      CYS   8  -2.126  -0.288  -2.500
   46    H    SER   9           H        SER   9  -1.764  -1.665   0.199
   47    HA   SER   9           HA       SER   9   0.185   0.143   1.051
   48    HB2  SER   9           HB2      SER   9  -2.232  -0.206   1.910
   49    HB3  SER   9           HB3      SER   9  -1.567  -1.513   2.882
   50    HG   SER   9           HG       SER   9  -1.250   1.226   3.056
   51    H    ALA  10           H        ALA  10   0.020  -3.288   0.825
   52    HA   ALA  10           HA       ALA  10   2.315  -3.724   2.593
   53    HB1  ALA  10           HB1      ALA  10   0.671  -5.647   0.939
   54    HB2  ALA  10           HB2      ALA  10   0.511  -5.389   2.677
   55    HB3  ALA  10           HB3      ALA  10   1.981  -6.111   2.021
   56    H    MET  11           H        MET  11   1.469  -3.261  -0.678
   57    HA   MET  11           HA       MET  11   3.907  -4.235  -1.811
   58    HB2  MET  11           HB2      MET  11   1.879  -2.298  -2.945
   59    HB3  MET  11           HB3      MET  11   3.221  -2.956  -3.854
   60    HG2  MET  11           HG2      MET  11   0.915  -4.500  -2.699
   61    HG3  MET  11           HG3      MET  11   1.186  -4.121  -4.400
   62    HE1  MET  11           HE1      MET  11   0.569  -7.046  -3.411
   63    HE2  MET  11           HE2      MET  11   1.756  -7.950  -4.356
   64    HE3  MET  11           HE3      MET  11   0.890  -6.603  -5.086
   65    H    SER  12           H        SER  12   2.729  -1.277  -0.662
   66    HA   SER  12           HA       SER  12   5.473  -0.312  -0.505
   67    HB2  SER  12           HB2      SER  12   4.107   0.886  -2.218
   68    HB3  SER  12           HB3      SER  12   3.050   1.405  -0.910
   69    HG   SER  12           HG       SER  12   5.279   2.572  -1.663
   70    HA   PRO  13           HA       PRO  13   3.755  -0.310   3.738
   71    HB2  PRO  13           HB2      PRO  13   6.076  -1.036   4.952
   72    HB3  PRO  13           HB3      PRO  13   4.969  -2.217   4.250
   73    HG2  PRO  13           HG2      PRO  13   7.539  -1.168   3.186
   74    HG3  PRO  13           HG3      PRO  13   6.813  -2.785   3.049
   75    HD2  PRO  13           HD2      PRO  13   6.808  -0.846   1.075
   76    HD3  PRO  13           HD3      PRO  13   5.707  -2.234   1.153
   77    H    ILE  14           H        ILE  14   5.713   1.450   1.934
   78    HA   ILE  14           HA       ILE  14   7.033   3.176   3.732
   79    HB   ILE  14           HB       ILE  14   6.248   3.651   0.839
   80   HG12  ILE  14          HG12      ILE  14   8.835   2.524   1.930
   81   HG13  ILE  14          HG13      ILE  14   7.556   1.564   1.198
   82   HG21  ILE  14          HG21      ILE  14   6.922   5.711   1.983
   83   HG22  ILE  14          HG22      ILE  14   8.127   5.233   0.789
   84   HG23  ILE  14          HG23      ILE  14   8.423   4.943   2.502
   85   HD11  ILE  14          HD11      ILE  14   9.382   1.978  -0.352
   86   HD12  ILE  14          HD12      ILE  14   9.145   3.718  -0.159
   87   HD13  ILE  14          HD13      ILE  14   7.889   2.735  -0.908
   88    H    CYS  15           H        CYS  15   4.050   2.927   2.364
   89    HA   CYS  15           HA       CYS  15   3.120   5.354   3.747
   90    HB2  CYS  15           HB2      CYS  15   3.209   5.411   1.133
   91    HB3  CYS  15           HB3      CYS  15   1.783   4.380   1.253
   92    HN1  NH2  16           HN1      NH2  16   1.899   2.370   2.200
   93    HN2  NH2  16           HN2      NH2  16   0.790   1.986   3.460
  Start of MODEL   16
    1    H1   GLY   1           H1       GLY   1  -6.861   6.617  -2.247
    2    H2   GLY   1           H2       GLY   1  -6.865   6.292  -3.897
    3    H3   GLY   1           H3       GLY   1  -6.458   7.845  -3.334
    4    HA2  GLY   1           HA2      GLY   1  -4.474   6.670  -3.976
    5    HA3  GLY   1           HA3      GLY   1  -4.517   6.963  -2.245
    6    H    CYS   2           H        CYS   2  -3.206   4.857  -3.937
    7    HA   CYS   2           HA       CYS   2  -4.622   2.398  -3.324
    8    HB2  CYS   2           HB2      CYS   2  -3.141   3.016  -5.372
    9    HB3  CYS   2           HB3      CYS   2  -1.862   2.636  -4.244
   10    H    CYS   3           H        CYS   3  -1.829   4.209  -2.283
   11    HA   CYS   3           HA       CYS   3  -0.646   2.255  -0.667
   12    HB2  CYS   3           HB2      CYS   3  -0.517   5.265  -0.462
   13    HB3  CYS   3           HB3      CYS   3   0.509   4.148   0.419
   14    H    SER   4           H        SER   4  -3.433   4.020  -0.234
   15    HA   SER   4           HA       SER   4  -3.506   3.642   2.678
   16    HB2  SER   4           HB2      SER   4  -4.203   5.845   1.769
   17    HB3  SER   4           HB3      SER   4  -5.449   5.053   0.815
   18    HG   SER   4           HG       SER   4  -5.354   4.832   3.635
   19    H    HIS   5           H        HIS   5  -3.971   1.752   0.134
   20    HA   HIS   5           HA       HIS   5  -6.304   0.379   1.235
   21    HB2  HIS   5           HB2      HIS   5  -6.763   1.510  -0.956
   22    HB3  HIS   5           HB3      HIS   5  -5.453   0.593  -1.678
   23    HD1  HIS   5           HD1      HIS   5  -8.917   0.120  -0.250
   24    HD2  HIS   5           HD2      HIS   5  -6.124  -1.882  -2.562
   25    HE1  HIS   5           HE1      HIS   5 -10.111  -1.903  -1.167
   26    HA   PRO   6           HA       PRO   6  -3.709  -3.046   2.339
   27    HB2  PRO   6           HB2      PRO   6  -5.252  -4.988   0.894
   28    HB3  PRO   6           HB3      PRO   6  -5.240  -4.651   2.625
   29    HG2  PRO   6           HG2      PRO   6  -7.080  -3.662   0.524
   30    HG3  PRO   6           HG3      PRO   6  -7.372  -3.896   2.255
   31    HD2  PRO   6           HD2      PRO   6  -7.140  -1.460   1.239
   32    HD3  PRO   6           HD3      PRO   6  -6.404  -1.852   2.814
   33    H    VAL   7           H        VAL   7  -4.756  -3.156  -1.037
   34    HA   VAL   7           HA       VAL   7  -2.920  -4.922  -2.079
   35    HB   VAL   7           HB       VAL   7  -4.087  -2.491  -3.480
   36   HG11  VAL   7          HG11      VAL   7  -2.151  -3.357  -4.702
   37   HG12  VAL   7          HG12      VAL   7  -3.646  -3.702  -5.571
   38   HG13  VAL   7          HG13      VAL   7  -2.842  -4.979  -4.662
   39   HG21  VAL   7          HG21      VAL   7  -5.750  -4.064  -4.344
   40   HG22  VAL   7          HG22      VAL   7  -5.781  -4.021  -2.580
   41   HG23  VAL   7          HG23      VAL   7  -5.007  -5.363  -3.415
   42    H    CYS   8           H        CYS   8  -2.505  -1.356  -2.334
   43    HA   CYS   8           HA       CYS   8   0.282  -1.812  -2.919
   44    HB2  CYS   8           HB2      CYS   8  -1.246   0.764  -2.623
   45    HB3  CYS   8           HB3      CYS   8   0.430   0.648  -3.148
   46    H    SER   9           H        SER   9  -1.616  -1.011  -0.145
   47    HA   SER   9           HA       SER   9   0.334   0.243   1.352
   48    HB2  SER   9           HB2      SER   9  -2.064   0.286   1.918
   49    HB3  SER   9           HB3      SER   9  -1.996  -1.424   2.327
   50    HG   SER   9           HG       SER   9  -0.353   0.500   3.554
   51    H    ALA  10           H        ALA  10  -0.366  -3.183   0.865
   52    HA   ALA  10           HA       ALA  10   1.628  -3.986   2.801
   53    HB1  ALA  10           HB1      ALA  10   0.124  -5.665   0.794
   54    HB2  ALA  10           HB2      ALA  10  -0.392  -5.359   2.452
   55    HB3  ALA  10           HB3      ALA  10   1.088  -6.268   2.140
   56    H    MET  11           H        MET  11   1.500  -3.292  -0.536
   57    HA   MET  11           HA       MET  11   3.916  -4.640  -1.306
   58    HB2  MET  11           HB2      MET  11   2.534  -2.256  -2.542
   59    HB3  MET  11           HB3      MET  11   3.919  -3.067  -3.241
   60    HG2  MET  11           HG2      MET  11   2.633  -5.063  -3.578
   61    HG3  MET  11           HG3      MET  11   1.250  -4.350  -2.743
   62    HE1  MET  11           HE1      MET  11   0.016  -4.452  -6.446
   63    HE2  MET  11           HE2      MET  11  -0.307  -4.942  -4.783
   64    HE3  MET  11           HE3      MET  11   1.047  -5.649  -5.665
   65    H    SER  12           H        SER  12   3.101  -1.416  -0.555
   66    HA   SER  12           HA       SER  12   5.872  -0.922   0.201
   67    HB2  SER  12           HB2      SER  12   5.207   0.264  -1.859
   68    HB3  SER  12           HB3      SER  12   3.929   1.054  -0.939
   69    HG   SER  12           HG       SER  12   6.507   1.747  -1.100
   70    HA   PRO  13           HA       PRO  13   3.610   0.040   3.990
   71    HB2  PRO  13           HB2      PRO  13   5.965  -0.408   5.473
   72    HB3  PRO  13           HB3      PRO  13   4.619  -1.528   5.311
   73    HG2  PRO  13           HG2      PRO  13   7.245  -1.748   4.223
   74    HG3  PRO  13           HG3      PRO  13   5.878  -2.880   4.024
   75    HD2  PRO  13           HD2      PRO  13   7.032  -0.947   2.185
   76    HD3  PRO  13           HD3      PRO  13   5.895  -2.268   1.866
   77    H    ILE  14           H        ILE  14   6.284   1.122   2.365
   78    HA   ILE  14           HA       ILE  14   7.086   3.246   4.080
   79    HB   ILE  14           HB       ILE  14   7.734   2.791   1.151
   80   HG12  ILE  14          HG12      ILE  14   9.344   2.089   3.620
   81   HG13  ILE  14          HG13      ILE  14   8.438   0.941   2.646
   82   HG21  ILE  14          HG21      ILE  14   9.644   4.276   1.513
   83   HG22  ILE  14          HG22      ILE  14   9.115   4.562   3.170
   84   HG23  ILE  14          HG23      ILE  14   8.122   5.117   1.820
   85   HD11  ILE  14          HD11      ILE  14  10.817   0.864   2.145
   86   HD12  ILE  14          HD12      ILE  14  10.793   2.575   1.715
   87   HD13  ILE  14          HD13      ILE  14   9.897   1.408   0.743
   88    H    CYS  15           H        CYS  15   4.985   2.790   1.596
   89    HA   CYS  15           HA       CYS  15   4.366   5.639   1.254
   90    HB2  CYS  15           HB2      CYS  15   4.628   4.138  -0.767
   91    HB3  CYS  15           HB3      CYS  15   3.186   3.282  -0.246
   92    HN1  NH2  16           HN1      NH2  16   3.370   6.045   3.183
   93    HN2  NH2  16           HN2      NH2  16   1.852   5.365   3.657
  Start of MODEL   17
    1    H1   GLY   1           H1       GLY   1  -6.292   5.359  -5.229
    2    H2   GLY   1           H2       GLY   1  -6.457   4.014  -4.215
    3    H3   GLY   1           H3       GLY   1  -5.355   3.975  -5.460
    4    HA2  GLY   1           HA2      GLY   1  -4.045   5.697  -4.379
    5    HA3  GLY   1           HA3      GLY   1  -5.252   5.748  -3.099
    6    H    CYS   2           H        CYS   2  -2.299   4.441  -3.967
    7    HA   CYS   2           HA       CYS   2  -2.510   1.844  -3.072
    8    HB2  CYS   2           HB2      CYS   2  -0.339   3.753  -3.563
    9    HB3  CYS   2           HB3      CYS   2  -0.025   2.264  -2.677
   10    H    CYS   3           H        CYS   3  -1.760   4.811  -1.371
   11    HA   CYS   3           HA       CYS   3  -0.853   3.463   0.935
   12    HB2  CYS   3           HB2      CYS   3  -1.613   6.331   0.493
   13    HB3  CYS   3           HB3      CYS   3  -0.760   5.671   1.886
   14    H    SER   4           H        SER   4  -3.777   4.000  -0.331
   15    HA   SER   4           HA       SER   4  -5.128   3.757   2.268
   16    HB2  SER   4           HB2      SER   4  -7.091   4.801   1.080
   17    HB3  SER   4           HB3      SER   4  -5.702   5.869   1.319
   18    HG   SER   4           HG       SER   4  -5.863   6.165  -0.730
   19    H    HIS   5           H        HIS   5  -4.083   1.727   0.131
   20    HA   HIS   5           HA       HIS   5  -6.572   0.208  -0.010
   21    HB2  HIS   5           HB2      HIS   5  -6.180   1.323  -2.196
   22    HB3  HIS   5           HB3      HIS   5  -4.632   0.507  -2.306
   23    HD1  HIS   5           HD1      HIS   5  -4.877  -1.235  -4.079
   24    HD2  HIS   5           HD2      HIS   5  -8.227  -0.981  -1.653
   25    HE1  HIS   5           HE1      HIS   5  -6.442  -3.067  -4.855
   26    HA   PRO   6           HA       PRO   6  -4.274  -2.638   2.506
   27    HB2  PRO   6           HB2      PRO   6  -5.893  -4.374   0.688
   28    HB3  PRO   6           HB3      PRO   6  -5.539  -4.606   2.407
   29    HG2  PRO   6           HG2      PRO   6  -7.827  -3.497   1.662
   30    HG3  PRO   6           HG3      PRO   6  -6.937  -2.878   3.063
   31    HD2  PRO   6           HD2      PRO   6  -7.352  -1.646   0.423
   32    HD3  PRO   6           HD3      PRO   6  -6.893  -0.880   1.959
   33    H    VAL   7           H        VAL   7  -4.603  -3.948  -0.801
   34    HA   VAL   7           HA       VAL   7  -2.279  -5.492  -0.574
   35    HB   VAL   7           HB       VAL   7  -2.419  -5.939  -2.981
   36   HG11  VAL   7          HG11      VAL   7  -3.803  -7.233  -1.502
   37   HG12  VAL   7          HG12      VAL   7  -4.657  -6.943  -3.018
   38   HG13  VAL   7          HG13      VAL   7  -5.074  -6.013  -1.576
   39   HG21  VAL   7          HG21      VAL   7  -3.077  -3.735  -3.797
   40   HG22  VAL   7          HG22      VAL   7  -4.643  -3.896  -3.005
   41   HG23  VAL   7          HG23      VAL   7  -4.220  -4.962  -4.345
   42    H    CYS   8           H        CYS   8  -2.636  -2.200  -1.733
   43    HA   CYS   8           HA       CYS   8   0.079  -2.341  -2.758
   44    HB2  CYS   8           HB2      CYS   8  -1.894  -1.081  -3.921
   45    HB3  CYS   8           HB3      CYS   8  -1.550   0.159  -2.706
   46    H    SER   9           H        SER   9  -1.667  -1.288   0.026
   47    HA   SER   9           HA       SER   9   0.342   0.333   1.078
   48    HB2  SER   9           HB2      SER   9  -1.753  -1.279   2.542
   49    HB3  SER   9           HB3      SER   9  -0.862   0.097   3.195
   50    HG   SER   9           HG       SER   9  -1.933   0.860   0.902
   51    H    ALA  10           H        ALA  10  -0.226  -3.063   0.882
   52    HA   ALA  10           HA       ALA  10   1.825  -3.866   2.728
   53    HB1  ALA  10           HB1      ALA  10  -0.106  -5.322   2.273
   54    HB2  ALA  10           HB2      ALA  10   1.405  -6.124   1.842
   55    HB3  ALA  10           HB3      ALA  10   0.380  -5.435   0.583
   56    H    MET  11           H        MET  11   1.429  -3.532  -0.754
   57    HA   MET  11           HA       MET  11   3.968  -4.405  -1.566
   58    HB2  MET  11           HB2      MET  11   2.131  -4.042  -3.165
   59    HB3  MET  11           HB3      MET  11   2.198  -2.316  -2.837
   60    HG2  MET  11           HG2      MET  11   4.472  -2.241  -3.748
   61    HG3  MET  11           HG3      MET  11   4.366  -3.959  -4.121
   62    HE1  MET  11           HE1      MET  11   4.208  -2.237  -7.636
   63    HE2  MET  11           HE2      MET  11   5.057  -3.406  -6.625
   64    HE3  MET  11           HE3      MET  11   5.127  -1.687  -6.236
   65    H    SER  12           H        SER  12   2.823  -1.288  -0.757
   66    HA   SER  12           HA       SER  12   5.594  -0.481  -0.334
   67    HB2  SER  12           HB2      SER  12   4.483   0.743  -2.178
   68    HB3  SER  12           HB3      SER  12   3.305   1.339  -1.008
   69    HG   SER  12           HG       SER  12   5.833   2.187  -1.476
   70    HA   PRO  13           HA       PRO  13   3.748   0.013   3.768
   71    HB2  PRO  13           HB2      PRO  13   5.726  -1.169   5.170
   72    HB3  PRO  13           HB3      PRO  13   4.457  -2.118   4.390
   73    HG2  PRO  13           HG2      PRO  13   7.264  -1.652   3.542
   74    HG3  PRO  13           HG3      PRO  13   6.270  -3.112   3.381
   75    HD2  PRO  13           HD2      PRO  13   6.768  -1.249   1.371
   76    HD3  PRO  13           HD3      PRO  13   5.450  -2.435   1.366
   77    H    ILE  14           H        ILE  14   6.117   1.078   1.905
   78    HA   ILE  14           HA       ILE  14   7.765   2.627   3.604
   79    HB   ILE  14           HB       ILE  14   7.129   3.090   0.676
   80   HG12  ILE  14          HG12      ILE  14   7.883   0.793   0.912
   81   HG13  ILE  14          HG13      ILE  14   9.141   1.750   0.146
   82   HG21  ILE  14          HG21      ILE  14   9.549   3.901   2.272
   83   HG22  ILE  14          HG22      ILE  14   8.272   4.968   1.689
   84   HG23  ILE  14          HG23      ILE  14   9.330   4.149   0.538
   85   HD11  ILE  14          HD11      ILE  14  10.095   0.205   1.740
   86   HD12  ILE  14          HD12      ILE  14   9.071   0.852   3.018
   87   HD13  ILE  14          HD13      ILE  14  10.325   1.864   2.299
   88    H    CYS  15           H        CYS  15   4.904   2.893   2.027
   89    HA   CYS  15           HA       CYS  15   4.438   5.631   2.965
   90    HB2  CYS  15           HB2      CYS  15   3.994   5.259   0.548
   91    HB3  CYS  15           HB3      CYS  15   2.777   4.061   0.976
   92    HN1  NH2  16           HN1      NH2  16   2.333   2.776   2.520
   93    HN2  NH2  16           HN2      NH2  16   1.597   2.901   4.077
  Start of MODEL   18
    1    H1   GLY   1           H1       GLY   1  -5.943   5.828  -2.875
    2    H2   GLY   1           H2       GLY   1  -6.459   4.793  -4.070
    3    H3   GLY   1           H3       GLY   1  -6.156   6.413  -4.447
    4    HA2  GLY   1           HA2      GLY   1  -4.387   5.017  -5.238
    5    HA3  GLY   1           HA3      GLY   1  -3.813   6.077  -3.954
    6    H    CYS   2           H        CYS   2  -2.232   4.000  -4.303
    7    HA   CYS   2           HA       CYS   2  -3.028   1.567  -3.212
    8    HB2  CYS   2           HB2      CYS   2  -0.518   2.869  -3.981
    9    HB3  CYS   2           HB3      CYS   2  -0.504   1.357  -3.089
   10    H    CYS   3           H        CYS   3  -1.583   4.426  -1.867
   11    HA   CYS   3           HA       CYS   3  -0.635   3.162   0.469
   12    HB2  CYS   3           HB2      CYS   3   0.226   5.271  -0.602
   13    HB3  CYS   3           HB3      CYS   3  -1.173   6.095   0.049
   14    H    SER   4           H        SER   4  -3.621   3.997  -0.590
   15    HA   SER   4           HA       SER   4  -4.701   4.026   2.158
   16    HB2  SER   4           HB2      SER   4  -5.106   6.119   0.805
   17    HB3  SER   4           HB3      SER   4  -6.062   5.153  -0.312
   18    HG   SER   4           HG       SER   4  -6.552   5.627   2.433
   19    H    HIS   5           H        HIS   5  -4.087   1.922  -0.119
   20    HA   HIS   5           HA       HIS   5  -6.594   0.443   0.210
   21    HB2  HIS   5           HB2      HIS   5  -6.415   1.195  -2.107
   22    HB3  HIS   5           HB3      HIS   5  -4.792   0.534  -2.230
   23    HD1  HIS   5           HD1      HIS   5  -8.440  -0.606  -2.075
   24    HD2  HIS   5           HD2      HIS   5  -4.654  -2.105  -2.937
   25    HE1  HIS   5           HE1      HIS   5  -8.794  -2.882  -3.052
   26    HA   PRO   6           HA       PRO   6  -3.881  -1.890   2.904
   27    HB2  PRO   6           HB2      PRO   6  -5.972  -3.898   2.168
   28    HB3  PRO   6           HB3      PRO   6  -5.247  -3.559   3.740
   29    HG2  PRO   6           HG2      PRO   6  -7.623  -2.547   3.142
   30    HG3  PRO   6           HG3      PRO   6  -6.430  -1.584   4.027
   31    HD2  PRO   6           HD2      PRO   6  -7.343  -1.325   1.213
   32    HD3  PRO   6           HD3      PRO   6  -6.692  -0.092   2.307
   33    H    VAL   7           H        VAL   7  -5.102  -3.755   0.082
   34    HA   VAL   7           HA       VAL   7  -2.963  -5.588   0.134
   35    HB   VAL   7           HB       VAL   7  -4.831  -4.899  -2.160
   36   HG11  VAL   7          HG11      VAL   7  -2.760  -5.901  -3.048
   37   HG12  VAL   7          HG12      VAL   7  -4.119  -7.015  -3.196
   38   HG13  VAL   7          HG13      VAL   7  -2.928  -7.245  -1.916
   39   HG21  VAL   7          HG21      VAL   7  -4.773  -7.221  -0.248
   40   HG22  VAL   7          HG22      VAL   7  -5.951  -6.966  -1.535
   41   HG23  VAL   7          HG23      VAL   7  -5.876  -5.855  -0.164
   42    H    CYS   8           H        CYS   8  -3.289  -2.535  -1.586
   43    HA   CYS   8           HA       CYS   8  -0.810  -3.059  -2.994
   44    HB2  CYS   8           HB2      CYS   8  -2.811  -1.803  -4.027
   45    HB3  CYS   8           HB3      CYS   8  -2.306  -0.452  -3.008
   46    H    SER   9           H        SER   9  -1.892  -1.514  -0.124
   47    HA   SER   9           HA       SER   9   0.282   0.128   0.359
   48    HB2  SER   9           HB2      SER   9  -1.522  -1.299   2.319
   49    HB3  SER   9           HB3      SER   9  -0.367  -0.044   2.767
   50    HG   SER   9           HG       SER   9  -2.026   0.638   0.686
   51    H    ALA  10           H        ALA  10   0.062  -3.253   0.250
   52    HA   ALA  10           HA       ALA  10   2.219  -3.863   2.035
   53    HB1  ALA  10           HB1      ALA  10   0.487  -5.517   1.493
   54    HB2  ALA  10           HB2      ALA  10   2.096  -6.102   1.065
   55    HB3  ALA  10           HB3      ALA  10   1.011  -5.505  -0.191
   56    H    MET  11           H        MET  11   1.945  -2.693  -1.174
   57    HA   MET  11           HA       MET  11   4.486  -3.684  -2.060
   58    HB2  MET  11           HB2      MET  11   2.776  -1.504  -3.286
   59    HB3  MET  11           HB3      MET  11   4.148  -2.288  -4.059
   60    HG2  MET  11           HG2      MET  11   1.550  -3.591  -3.276
   61    HG3  MET  11           HG3      MET  11   2.077  -3.194  -4.911
   62    HE1  MET  11           HE1      MET  11   1.065  -6.086  -3.711
   63    HE2  MET  11           HE2      MET  11   2.145  -7.175  -4.577
   64    HE3  MET  11           HE3      MET  11   1.392  -5.830  -5.426
   65    H    SER  12           H        SER  12   3.235  -0.829  -0.740
   66    HA   SER  12           HA       SER  12   5.976  -0.016  -0.134
   67    HB2  SER  12           HB2      SER  12   4.812   1.507  -1.762
   68    HB3  SER  12           HB3      SER  12   3.664   1.843  -0.465
   69    HG   SER  12           HG       SER  12   6.217   2.797  -0.761
   70    HA   PRO  13           HA       PRO  13   3.744  -0.572   3.838
   71    HB2  PRO  13           HB2      PRO  13   5.847  -1.673   5.189
   72    HB3  PRO  13           HB3      PRO  13   4.707  -2.634   4.246
   73    HG2  PRO  13           HG2      PRO  13   7.467  -1.764   3.560
   74    HG3  PRO  13           HG3      PRO  13   6.618  -3.263   3.148
   75    HD2  PRO  13           HD2      PRO  13   6.989  -1.138   1.433
   76    HD3  PRO  13           HD3      PRO  13   5.717  -2.360   1.256
   77    H    ILE  14           H        ILE  14   6.241   1.111   2.573
   78    HA   ILE  14           HA       ILE  14   7.125   2.436   4.944
   79    HB   ILE  14           HB       ILE  14   7.777   3.039   2.041
   80   HG12  ILE  14          HG12      ILE  14   9.337   1.356   4.021
   81   HG13  ILE  14          HG13      ILE  14   8.355   0.719   2.710
   82   HG21  ILE  14          HG21      ILE  14   9.794   4.148   2.953
   83   HG22  ILE  14          HG22      ILE  14   9.227   3.817   4.587
   84   HG23  ILE  14          HG23      ILE  14   8.315   4.908   3.544
   85   HD11  ILE  14          HD11      ILE  14   9.842   1.785   1.091
   86   HD12  ILE  14          HD12      ILE  14  10.722   0.694   2.163
   87   HD13  ILE  14          HD13      ILE  14  10.804   2.438   2.415
   88    H    CYS  15           H        CYS  15   4.749   2.598   2.753
   89    HA   CYS  15           HA       CYS  15   4.086   5.383   3.384
   90    HB2  CYS  15           HB2      CYS  15   4.172   4.627   0.905
   91    HB3  CYS  15           HB3      CYS  15   2.716   3.715   1.252
   92    HN1  NH2  16           HN1      NH2  16   2.025   2.609   2.532
   93    HN2  NH2  16           HN2      NH2  16   1.144   2.617   4.019
  Start of MODEL   19
    1    H1   GLY   1           H1       GLY   1  -7.222   4.490  -3.830
    2    H2   GLY   1           H2       GLY   1  -6.300   4.464  -5.228
    3    H3   GLY   1           H3       GLY   1  -7.093   5.900  -4.752
    4    HA2  GLY   1           HA2      GLY   1  -4.733   5.988  -4.218
    5    HA3  GLY   1           HA3      GLY   1  -5.738   5.983  -2.769
    6    H    CYS   2           H        CYS   2  -2.990   4.720  -3.960
    7    HA   CYS   2           HA       CYS   2  -3.428   2.005  -3.220
    8    HB2  CYS   2           HB2      CYS   2  -1.397   3.552  -4.550
    9    HB3  CYS   2           HB3      CYS   2  -0.770   2.267  -3.531
   10    H    CYS   3           H        CYS   3  -1.733   4.779  -1.814
   11    HA   CYS   3           HA       CYS   3  -0.534   3.324   0.257
   12    HB2  CYS   3           HB2      CYS   3  -1.313   6.237   0.146
   13    HB3  CYS   3           HB3      CYS   3  -0.205   5.498   1.296
   14    H    SER   4           H        SER   4  -3.661   4.273  -0.351
   15    HA   SER   4           HA       SER   4  -4.519   3.833   2.400
   16    HB2  SER   4           HB2      SER   4  -6.674   4.891   1.483
   17    HB3  SER   4           HB3      SER   4  -5.267   5.931   1.713
   18    HG   SER   4           HG       SER   4  -6.002   6.395  -0.235
   19    H    HIS   5           H        HIS   5  -3.805   1.799   0.213
   20    HA   HIS   5           HA       HIS   5  -6.335   0.336   0.270
   21    HB2  HIS   5           HB2      HIS   5  -5.980   1.190  -1.994
   22    HB3  HIS   5           HB3      HIS   5  -4.347   0.555  -1.998
   23    HD1  HIS   5           HD1      HIS   5  -7.853  -0.960  -1.601
   24    HD2  HIS   5           HD2      HIS   5  -4.179  -1.683  -3.385
   25    HE1  HIS   5           HE1      HIS   5  -8.073  -3.168  -2.777
   26    HA   PRO   6           HA       PRO   6  -3.978  -2.540   2.693
   27    HB2  PRO   6           HB2      PRO   6  -5.689  -4.511   1.236
   28    HB3  PRO   6           HB3      PRO   6  -5.344  -4.394   2.966
   29    HG2  PRO   6           HG2      PRO   6  -7.658  -3.520   2.039
   30    HG3  PRO   6           HG3      PRO   6  -6.781  -2.584   3.262
   31    HD2  PRO   6           HD2      PRO   6  -7.072  -2.076   0.339
   32    HD3  PRO   6           HD3      PRO   6  -7.002  -0.929   1.692
   33    H    VAL   7           H        VAL   7  -4.617  -3.539  -0.661
   34    HA   VAL   7           HA       VAL   7  -2.480  -5.376  -0.766
   35    HB   VAL   7           HB       VAL   7  -3.918  -4.024  -3.064
   36   HG11  VAL   7          HG11      VAL   7  -1.778  -4.969  -3.754
   37   HG12  VAL   7          HG12      VAL   7  -3.127  -5.888  -4.423
   38   HG13  VAL   7          HG13      VAL   7  -2.224  -6.521  -3.044
   39   HG21  VAL   7          HG21      VAL   7  -5.425  -5.266  -1.615
   40   HG22  VAL   7          HG22      VAL   7  -4.399  -6.695  -1.748
   41   HG23  VAL   7          HG23      VAL   7  -5.241  -6.078  -3.168
   42    H    CYS   8           H        CYS   8  -2.727  -2.016  -1.965
   43    HA   CYS   8           HA       CYS   8  -0.065  -2.077  -3.015
   44    HB2  CYS   8           HB2      CYS   8  -1.630   0.388  -2.283
   45    HB3  CYS   8           HB3      CYS   8  -0.252   0.276  -3.361
   46    H    SER   9           H        SER   9  -1.543  -1.109   0.040
   47    HA   SER   9           HA       SER   9   0.678   0.233   0.968
   48    HB2  SER   9           HB2      SER   9  -1.579   0.604   1.870
   49    HB3  SER   9           HB3      SER   9  -1.565  -1.010   2.575
   50    HG   SER   9           HG       SER   9   0.498   0.771   3.174
   51    H    ALA  10           H        ALA  10  -0.015  -3.103   0.656
   52    HA   ALA  10           HA       ALA  10   1.947  -3.973   2.613
   53    HB1  ALA  10           HB1      ALA  10  -0.031  -5.364   2.215
   54    HB2  ALA  10           HB2      ALA  10   1.443  -6.238   1.791
   55    HB3  ALA  10           HB3      ALA  10   0.431  -5.544   0.523
   56    H    MET  11           H        MET  11   1.642  -3.509  -0.832
   57    HA   MET  11           HA       MET  11   4.207  -4.584  -1.439
   58    HB2  MET  11           HB2      MET  11   2.422  -2.765  -3.063
   59    HB3  MET  11           HB3      MET  11   3.912  -3.471  -3.671
   60    HG2  MET  11           HG2      MET  11   1.466  -4.988  -2.769
   61    HG3  MET  11           HG3      MET  11   1.965  -4.715  -4.436
   62    HE1  MET  11           HE1      MET  11   5.129  -5.130  -4.307
   63    HE2  MET  11           HE2      MET  11   4.092  -5.814  -5.557
   64    HE3  MET  11           HE3      MET  11   5.238  -6.845  -4.702
   65    H    SER  12           H        SER  12   2.975  -1.504  -0.747
   66    HA   SER  12           HA       SER  12   5.715  -0.601  -0.318
   67    HB2  SER  12           HB2      SER  12   4.545   0.502  -2.276
   68    HB3  SER  12           HB3      SER  12   3.428   1.181  -1.084
   69    HG   SER  12           HG       SER  12   6.056   1.875  -1.608
   70    HA   PRO  13           HA       PRO  13   3.445  -0.266   3.677
   71    HB2  PRO  13           HB2      PRO  13   5.365  -1.306   5.240
   72    HB3  PRO  13           HB3      PRO  13   4.310  -2.348   4.277
   73    HG2  PRO  13           HG2      PRO  13   7.109  -1.457   3.718
   74    HG3  PRO  13           HG3      PRO  13   6.366  -3.065   3.507
   75    HD2  PRO  13           HD2      PRO  13   6.768  -1.242   1.489
   76    HD3  PRO  13           HD3      PRO  13   5.532  -2.513   1.455
   77    H    ILE  14           H        ILE  14   5.695   1.246   2.134
   78    HA   ILE  14           HA       ILE  14   6.838   2.806   4.240
   79    HB   ILE  14           HB       ILE  14   7.154   3.090   1.234
   80   HG12  ILE  14          HG12      ILE  14   8.956   1.720   3.242
   81   HG13  ILE  14          HG13      ILE  14   7.877   0.893   2.129
   82   HG21  ILE  14          HG21      ILE  14   7.748   5.148   2.440
   83   HG22  ILE  14          HG22      ILE  14   9.185   4.379   1.768
   84   HG23  ILE  14          HG23      ILE  14   8.830   4.229   3.488
   85   HD11  ILE  14          HD11      ILE  14   9.160   1.795   0.245
   86   HD12  ILE  14          HD12      ILE  14  10.155   0.833   1.336
   87   HD13  ILE  14          HD13      ILE  14  10.243   2.593   1.388
   88    H    CYS  15           H        CYS  15   4.276   2.739   2.225
   89    HA   CYS  15           HA       CYS  15   3.500   5.508   2.826
   90    HB2  CYS  15           HB2      CYS  15   4.265   5.109   0.410
   91    HB3  CYS  15           HB3      CYS  15   2.829   4.107   0.240
   92    HN1  NH2  16           HN1      NH2  16   2.186   4.837   4.501
   93    HN2  NH2  16           HN2      NH2  16   0.802   3.820   4.311
  Start of MODEL   20
    1    H1   GLY   1           H1       GLY   1  -5.075   6.653  -0.714
    2    H2   GLY   1           H2       GLY   1  -6.465   6.331  -1.599
    3    H3   GLY   1           H3       GLY   1  -5.824   7.887  -1.621
    4    HA2  GLY   1           HA2      GLY   1  -5.350   6.758  -3.660
    5    HA3  GLY   1           HA3      GLY   1  -3.855   7.001  -2.764
    6    H    CYS   2           H        CYS   2  -3.009   5.179  -3.986
    7    HA   CYS   2           HA       CYS   2  -4.178   2.583  -3.880
    8    HB2  CYS   2           HB2      CYS   2  -2.216   3.682  -5.374
    9    HB3  CYS   2           HB3      CYS   2  -1.249   2.949  -4.106
   10    H    CYS   3           H        CYS   3  -1.709   4.326  -2.018
   11    HA   CYS   3           HA       CYS   3  -1.001   2.100  -0.441
   12    HB2  CYS   3           HB2      CYS   3  -0.431   5.027  -0.052
   13    HB3  CYS   3           HB3      CYS   3   0.274   3.696   0.847
   14    H    SER   4           H        SER   4  -3.600   3.962  -0.439
   15    HA   SER   4           HA       SER   4  -4.227   3.819   2.436
   16    HB2  SER   4           HB2      SER   4  -6.006   4.734   0.180
   17    HB3  SER   4           HB3      SER   4  -6.155   5.128   1.894
   18    HG   SER   4           HG       SER   4  -4.053   6.141   1.648
   19    H    HIS   5           H        HIS   5  -4.107   1.703   0.045
   20    HA   HIS   5           HA       HIS   5  -6.535   0.238   0.741
   21    HB2  HIS   5           HB2      HIS   5  -6.757   1.277  -1.504
   22    HB3  HIS   5           HB3      HIS   5  -5.221   0.586  -1.980
   23    HD1  HIS   5           HD1      HIS   5  -5.927  -0.982  -3.840
   24    HD2  HIS   5           HD2      HIS   5  -8.289  -1.358  -0.438
   25    HE1  HIS   5           HE1      HIS   5  -7.462  -2.910  -4.277
   26    HA   PRO   6           HA       PRO   6  -3.603  -2.599   2.586
   27    HB2  PRO   6           HB2      PRO   6  -5.620  -4.392   1.286
   28    HB3  PRO   6           HB3      PRO   6  -4.810  -4.598   2.847
   29    HG2  PRO   6           HG2      PRO   6  -7.210  -3.545   2.823
   30    HG3  PRO   6           HG3      PRO   6  -5.947  -2.800   3.815
   31    HD2  PRO   6           HD2      PRO   6  -7.155  -1.833   1.283
   32    HD3  PRO   6           HD3      PRO   6  -6.440  -0.916   2.625
   33    H    VAL   7           H        VAL   7  -4.663  -3.314  -0.714
   34    HA   VAL   7           HA       VAL   7  -2.710  -5.172  -1.419
   35    HB   VAL   7           HB       VAL   7  -4.043  -3.128  -3.227
   36   HG11  VAL   7          HG11      VAL   7  -2.089  -4.114  -4.295
   37   HG12  VAL   7          HG12      VAL   7  -3.570  -4.709  -5.047
   38   HG13  VAL   7          HG13      VAL   7  -2.681  -5.731  -3.917
   39   HG21  VAL   7          HG21      VAL   7  -5.628  -4.924  -3.741
   40   HG22  VAL   7          HG22      VAL   7  -5.660  -4.503  -2.029
   41   HG23  VAL   7          HG23      VAL   7  -4.827  -5.963  -2.564
   42    H    CYS   8           H        CYS   8  -2.639  -1.633  -1.924
   43    HA   CYS   8           HA       CYS   8   0.101  -1.827  -2.836
   44    HB2  CYS   8           HB2      CYS   8  -1.306   0.759  -2.291
   45    HB3  CYS   8           HB3      CYS   8  -0.123   0.391  -3.543
   46    H    SER   9           H        SER   9  -1.687  -1.096   0.085
   47    HA   SER   9           HA       SER   9   0.234   0.311   1.448
   48    HB2  SER   9           HB2      SER   9  -1.778  -1.635   2.572
   49    HB3  SER   9           HB3      SER   9  -0.942  -0.383   3.493
   50    HG   SER   9           HG       SER   9  -2.011   1.178   2.305
   51    H    ALA  10           H        ALA  10  -0.224  -3.159   0.992
   52    HA   ALA  10           HA       ALA  10   1.978  -3.893   2.707
   53    HB1  ALA  10           HB1      ALA  10   1.535  -6.153   1.957
   54    HB2  ALA  10           HB2      ALA  10   0.427  -5.541   0.727
   55    HB3  ALA  10           HB3      ALA  10   0.034  -5.359   2.438
   56    H    MET  11           H        MET  11   1.421  -3.323  -0.670
   57    HA   MET  11           HA       MET  11   3.786  -4.359  -1.764
   58    HB2  MET  11           HB2      MET  11   1.927  -3.510  -3.148
   59    HB3  MET  11           HB3      MET  11   2.266  -1.883  -2.585
   60    HG2  MET  11           HG2      MET  11   4.480  -1.995  -3.658
   61    HG3  MET  11           HG3      MET  11   4.075  -3.596  -4.277
   62    HE1  MET  11           HE1      MET  11   5.040  -1.179  -6.124
   63    HE2  MET  11           HE2      MET  11   3.926  -1.331  -7.483
   64    HE3  MET  11           HE3      MET  11   4.632  -2.775  -6.756
   65    H    SER  12           H        SER  12   3.073  -1.216  -0.633
   66    HA   SER  12           HA       SER  12   5.916  -0.852  -0.041
   67    HB2  SER  12           HB2      SER  12   5.075   0.488  -2.017
   68    HB3  SER  12           HB3      SER  12   4.058   1.341  -0.851
   69    HG   SER  12           HG       SER  12   6.845   1.218  -0.962
   70    HA   PRO  13           HA       PRO  13   3.627  -0.171   3.848
   71    HB2  PRO  13           HB2      PRO  13   5.619  -1.050   5.485
   72    HB3  PRO  13           HB3      PRO  13   4.448  -2.136   4.733
   73    HG2  PRO  13           HG2      PRO  13   7.275  -1.591   3.987
   74    HG3  PRO  13           HG3      PRO  13   6.338  -3.094   3.893
   75    HD2  PRO  13           HD2      PRO  13   6.885  -1.442   1.755
   76    HD3  PRO  13           HD3      PRO  13   5.548  -2.605   1.814
   77    H    ILE  14           H        ILE  14   6.385   1.022   2.393
   78    HA   ILE  14           HA       ILE  14   7.061   2.858   4.499
   79    HB   ILE  14           HB       ILE  14   8.266   2.765   1.698
   80   HG12  ILE  14          HG12      ILE  14   9.266   1.398   4.209
   81   HG13  ILE  14          HG13      ILE  14   8.507   0.576   2.850
   82   HG21  ILE  14          HG21      ILE  14   8.703   4.830   2.979
   83   HG22  ILE  14          HG22      ILE  14  10.179   3.894   2.736
   84   HG23  ILE  14          HG23      ILE  14   9.363   3.864   4.300
   85   HD11  ILE  14          HD11      ILE  14  10.927   0.345   2.812
   86   HD12  ILE  14          HD12      ILE  14  11.105   2.099   2.774
   87   HD13  ILE  14          HD13      ILE  14  10.360   1.259   1.414
   88    H    CYS  15           H        CYS  15   5.029   2.582   2.028
   89    HA   CYS  15           HA       CYS  15   4.805   5.409   1.365
   90    HB2  CYS  15           HB2      CYS  15   4.597   3.733  -0.444
   91    HB3  CYS  15           HB3      CYS  15   3.215   3.034   0.382
   92    HN1  NH2  16           HN1      NH2  16   4.164   6.124   3.380
   93    HN2  NH2  16           HN2      NH2  16   2.618   5.785   4.073