*HEADER    TOXIN                                   23-SEP-12   2LZ5              
*TITLE     SOLUTION STRUCTURE OF A NOVEL ALPHA-CONOTOXIN TXIB                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CONOTOXIN_TXIB;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS TEXTILE;                                  
*SOURCE   4 ORGANISM_TAXID: 6494                                                 
*KEYWDS    ALPHA-CONOTOXIN, ALPHA-HELIX, DISULFIDE BONDS, AMIDATED C-TERMINUS,   
*KEYWDS   2 TOXIN                                                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.LUO, D.ZHANGSUN, Y.WU, X.ZHU, Y.HU, M.MCINTYRE, S.CHRISTENSEN,      
*AUTHOR   2 M.AKCAN, D.CRAIK, J.MCINTOSH                                         
*REVDAT   1   05-DEC-12 2LZ5    0                                                


# H proton - H proton

assign (resid   5 and name   HN)   (resid   5 and name  HB1)   2.455    0.655    0.655  
assign (resid   5 and name   HN)   (resid   5 and name  HB2)   2.455    0.655    0.655  
assign (resid   4 and name   HN)   (resid   4 and name  HB2)   2.625    0.825    0.825  
assign (resid   4 and name   HN)   (resid   4 and name  HB1)   2.625    0.825    0.825  
assign (resid   4 and name  HB2)   (resid   5 and name   HN)   3.140    1.340    1.340  
assign (resid   4 and name  HB1)   (resid   5 and name   HN)   3.140    1.340    1.340  
assign (resid   3 and name   HA)   (resid   5 and name   HN)   2.815    1.015    1.015  
assign (resid   3 and name   HN)   (resid   3 and name  HB1)   2.425    0.625    0.625  
assign (resid   3 and name   HN)   (resid   3 and name  HB2)   2.425    0.625    0.625  
assign (resid   3 and name  HB2)   (resid   4 and name   HN)   3.030    1.230    1.230  
assign (resid   3 and name  HB1)   (resid   4 and name   HN)   3.030    1.230    1.230  
assign (resid   2 and name  HB1)   (resid   3 and name   HN)   2.580    0.780    0.780  
assign (resid   2 and name   HN)   (resid   2 and name  HB1)   2.270    0.470    0.470  
assign (resid   2 and name   HN)   (resid   2 and name  HB2)   2.270    0.470    0.470  
assign (resid   1 and name  HA#)   (resid   3 and name   HN)   3.425    1.625    1.625  
assign (resid  14 and name   HN)   (resid  14 and name  HB1)   2.470    0.670    0.670  
assign (resid  14 and name   HN)   (resid  14 and name  HB2)   2.470    0.670    0.670  
assign (resid  13 and name   HA)   (resid  16 and name   HN)   2.705    0.905    0.905  
assign (resid  16 and name   HN)   (resid  16 and name  HB1)   2.580    0.780    0.780  
assign (resid  16 and name   HN)   (resid  16 and name  HB2)   2.580    0.780    0.780  
assign (resid  15 and name   HN)   (resid  15 and name   HA)   2.285    0.485    0.485  
assign (resid  11 and name   HN)   (resid  11 and name   HA)   2.365    0.565    0.565  
assign (resid  11 and name   HN)   (resid  11 and name  HB2)   2.595    0.795    0.795  
assign (resid  11 and name   HN)   (resid  11 and name  HB1)   2.595    0.795    0.795  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.595    0.795    0.795  
assign (resid  10 and name   HN)   (resid  10 and name   HA)   2.315    0.515    0.515  
assign (resid  10 and name   HN)   (resid  10 and name  HB#)   2.760    0.960    0.960  
assign (resid  10 and name  HB#)   (resid  11 and name   HN)   3.190    1.390    1.390  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   2.365    0.565    0.565  
assign (resid   9 and name   HN)   (resid   9 and name  HB2)   2.300    0.500    0.500  
assign (resid   9 and name   HN)   (resid   9 and name  HB1)   2.300    0.500    0.500  
assign (resid   9 and name  HB1)   (resid  10 and name   HN)   2.565    0.765    0.765  
assign (resid   9 and name  HB2)   (resid  10 and name   HN)   2.565    0.765    0.765  
assign (resid   9 and name   HA)   (resid  12 and name   HN)   2.860    1.060    1.060  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.410    0.610    0.610  
assign (resid  12 and name   HA)   (resid  14 and name   HN)   2.735    0.935    0.935  
assign (resid   8 and name   HN)   (resid   8 and name  HB#)   2.880    1.080    1.080  
assign (resid  15 and name   HN)   (resid  15 and name  HB#)   2.805    1.005    1.005  
assign (resid  15 and name  HB#)   (resid  16 and name   HN)   3.100    1.300    1.300  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   2.300    0.500    0.500  
assign (resid   9 and name   HA)   (resid  11 and name   HN)   3.215    1.415    1.415  
assign (resid   6 and name   HA)   (resid  10 and name   HN)   2.720    0.920    0.920  
assign (resid   6 and name   HA)   (resid   9 and name   HN)   2.610    0.810    0.810  
assign (resid   9 and name   HA)   (resid  12 and name  HB2)   3.045    1.245    1.245  
assign (resid   9 and name   HA)   (resid  12 and name  HB1)   3.045    1.245    1.245  
assign (resid   3 and name   HN)   (resid   4 and name   HN)   2.440    0.640    0.640  
assign (resid  14 and name   HN)   (resid  15 and name   HN)   2.315    0.515    0.515  
assign (resid   8 and name   HN)   (resid   9 and name   HN)   2.240    0.440    0.440  
assign (resid   2 and name  HB2)   (resid   3 and name   HN)   2.580    0.780    0.780  
assign (resid   3 and name   HA)   (resid   9 and name   HA)   2.675    0.875    0.875  
assign (resid   6 and name   HA)   (resid   9 and name  HB1)   2.610    0.810    0.810  
assign (resid   6 and name   HA)   (resid   9 and name  HB2)   2.610    0.810    0.810  
assign (resid  15 and name  HB#)   (resid  16 and name   HA)   4.090    2.290    2.290  
assign (resid  14 and name   HN)   (resid  16 and name   HN)   3.140    1.340    1.340  
assign (resid   3 and name   HN)   (resid   5 and name   HN)   2.890    1.090    1.090  
assign (resid  10 and name   HA)   (resid  12 and name   HN)   2.705    0.905    0.905  
assign (resid  11 and name   HN)   (resid  11 and name  HG1)   3.420    1.620    1.620  
assign (resid  11 and name   HN)   (resid  11 and name  HG2)   3.420    1.620    1.620  
assign (resid   9 and name   HN)   (resid   9 and name  HG1)   3.400    1.600    1.600  
assign (resid   9 and name   HN)   (resid   9 and name  HG2)   3.400    1.600    1.600  
assign (resid   9 and name  HG2)   (resid  10 and name   HN)   3.480    1.680    1.680  
assign (resid   9 and name  HG1)   (resid  10 and name   HN)   3.480    1.680    1.680  
assign (resid   9 and name  HB1)   (resid   9 and name   HE)   3.435    1.635    1.635  
assign (resid   9 and name  HB2)   (resid   9 and name   HE)   3.435    1.635    1.635  
assign (resid  15 and name   HN)   (resid  15 and name   HG)   2.890    1.090    1.090  
assign (resid  15 and name   HG)   (resid  16 and name   HN)   3.650    1.850    1.850  
assign (resid  11 and name  HB2)   (resid  12 and name  HE1)   3.310    1.510    1.510  
assign (resid  11 and name  HB1)   (resid  12 and name  HE1)   3.310    1.510    1.510  
assign (resid  11 and name  HB1)   (resid  12 and name  HD2)   2.875    1.075    1.075  
assign (resid  11 and name  HB2)   (resid  12 and name  HD2)   2.875    1.075    1.075  
assign (resid  12 and name   HA)   (resid  13 and name  HD2)   2.720    0.920    0.920  
assign (resid  13 and name  HG#)   (resid  14 and name   HN)   3.240    1.440    1.440  
assign (resid   5 and name   HA)   (resid   6 and name  HG2)   3.650    1.850    1.850  
assign (resid   5 and name   HA)   (resid   6 and name  HG1)   3.650    1.850    1.850  
assign (resid   9 and name  HD#)   (resid  10 and name   HN)   4.090    2.290    2.290  
assign (resid  13 and name  HG#)   (resid  15 and name   HN)   3.875    2.075    2.075  
assign (resid   3 and name   HA)   (resid   9 and name  HG1)   3.650    1.850    1.850  
assign (resid   5 and name   HA)   (resid   7 and name  HD#)   4.095    2.295    2.295  
assign (resid  15 and name   HG)   (resid  16 and name   HA)   3.650    1.850    1.850  
assign (resid  12 and name   HA)   (resid  13 and name  HD1)   2.720    0.920    0.920  
assign (resid  12 and name  HB2)   (resid  12 and name  HD2)   2.565    0.765    0.765  
assign (resid  15 and name   HA)   (resid  15 and name HD1#)   3.260    1.460    1.460  
assign (resid  15 and name   HA)   (resid  15 and name HD2#)   3.260    1.460    1.460  
assign (resid  15 and name   HN)   (resid  15 and name HD2#)   4.160    2.360    2.360  
assign (resid  15 and name   HN)   (resid  15 and name HD1#)   4.160    2.360    2.360  
assign (resid  12 and name  HB2)   (resid  15 and name HD2#)   4.160    2.360    2.360  
assign (resid  12 and name  HB2)   (resid  15 and name HD1#)   4.160    2.360    2.360  
assign (resid  12 and name  HB1)   (resid  15 and name HD2#)   4.160    2.360    2.360  
assign (resid  12 and name  HB1)   (resid  15 and name HD1#)   4.160    2.360    2.360  
assign (resid  12 and name  HD2)   (resid  15 and name HD1#)   4.130    2.330    2.330  
assign (resid  12 and name  HD2)   (resid  15 and name HD2#)   4.130    2.330    2.330  
assign (resid  15 and name HD2#)   (resid  16 and name   HN)   4.160    2.360    2.360  
assign (resid  15 and name HD1#)   (resid  16 and name   HN)   4.160    2.360    2.360  
assign (resid   2 and name   HN)   (resid   2 and name  HB#)   2.090    0.290    0.290  
assign (resid   2 and name   HN)   (resid  15 and name  HD#)   4.110    2.310    2.310  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   2.235    0.435    0.435  
assign (resid   3 and name   HN)   (resid   3 and name  HB#)   2.170    0.370    0.370  
assign (resid   3 and name   HA)   (resid   9 and name  HB#)   3.165    1.365    1.365  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   2.645    0.845    0.845  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.360    0.560    0.560  
assign (resid   4 and name   HN)   (resid   5 and name  HB#)   3.165    1.365    1.365  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   2.825    1.025    1.025  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.255    0.455    0.455  
assign (resid   5 and name   HN)   (resid   6 and name  HD#)   3.340    1.540    1.540  
assign (resid   5 and name   HN)   (resid   9 and name  HB#)   2.840    1.040    1.040  
assign (resid   5 and name   HN)   (resid   9 and name  HG#)   3.570    1.770    1.770  
assign (resid   5 and name   HA)   (resid   6 and name  HD#)   2.255    0.455    0.455  
assign (resid   6 and name   HA)   (resid   9 and name  HG#)   3.440    1.640    1.640  
assign (resid   9 and name   HN)   (resid   9 and name  HG#)   2.990    1.190    1.190  
assign (resid   9 and name   HA)   (resid  16 and name  HB#)   3.570    1.770    1.770  
assign (resid   9 and name  HB#)   (resid   9 and name  HG#)   2.060    0.260    0.260  
assign (resid   9 and name  HB#)   (resid   9 and name   HE)   3.090    1.290    1.290  
assign (resid   9 and name  HB#)   (resid  10 and name   HN)   2.245    0.445    0.445  
assign (resid   9 and name  HG#)   (resid  10 and name   HN)   3.115    1.315    1.315  
assign (resid   9 and name  HG#)   (resid  12 and name  HD2)   3.530    1.730    1.730  
assign (resid   9 and name  HG#)   (resid  16 and name  HB#)   3.225    1.425    1.425  
assign (resid  10 and name HD2#)   (resid  13 and name  HB#)   3.980    2.180    2.180  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.270    0.470    0.470  
assign (resid  11 and name   HN)   (resid  11 and name  HG#)   3.030    1.230    1.230  
assign (resid  11 and name  HB#)   (resid  11 and name  HG#)   1.990    0.190    0.190  
assign (resid  11 and name  HB#)   (resid  12 and name  HD2)   2.590    0.790    0.790  
assign (resid  11 and name  HB#)   (resid  12 and name  HE1)   3.010    1.210    1.210  
assign (resid  11 and name  HG#)   (resid  12 and name  HD2)   3.570    1.770    1.770  
assign (resid  12 and name   HN)   (resid  13 and name  HD#)   2.605    0.805    0.805  
assign (resid  12 and name   HA)   (resid  13 and name  HD#)   2.415    0.615    0.615  
assign (resid  12 and name  HB#)   (resid  15 and name  HB#)   3.355    1.555    1.555  
assign (resid  12 and name  HB#)   (resid  15 and name   HG)   2.975    1.175    1.175  
assign (resid  12 and name  HB#)   (resid  15 and name  HD#)   3.200    1.400    1.400  
assign (resid  12 and name  HD2)   (resid  15 and name  HD#)   3.725    1.925    1.925  
assign (resid  13 and name  HD#)   (resid  14 and name   HN)   2.780    0.980    0.980  
assign (resid  14 and name  HB#)   (resid  15 and name   HN)   2.665    0.865    0.865  
assign (resid  15 and name   HG)   (resid  16 and name  HB#)   2.945    1.145    1.145  
assign (resid  16 and name   HN)   (resid  16 and name  HB#)   2.245    0.445    0.445

# Dihedral angles

assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0 -120.0   30.0 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0 -120.0   30.0 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -60.0   30.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0 -120.0   30.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0 -120.0   30.0 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0 -120.0   30.0 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0 -120.0   30.0 2

  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1  -8.116   5.736  -4.313
    2    H2   GLY   1           H2       GLY   1  -8.112   4.108  -3.840
    3    H3   GLY   1           H3       GLY   1  -7.167   4.598  -5.127
    4    HA2  GLY   1           HA2      GLY   1  -5.802   5.917  -3.665
    5    HA3  GLY   1           HA3      GLY   1  -6.813   5.398  -2.320
    6    H    CYS   2           H        CYS   2  -4.171   4.686  -4.280
    7    HA   CYS   2           HA       CYS   2  -4.051   1.888  -4.198
    8    HB2  CYS   2           HB2      CYS   2  -2.665   3.494  -5.584
    9    HB3  CYS   2           HB3      CYS   2  -1.751   3.792  -4.145
   10    H    CYS   3           H        CYS   3  -2.537   4.301  -2.190
   11    HA   CYS   3           HA       CYS   3  -1.387   2.327  -0.450
   12    HB2  CYS   3           HB2      CYS   3  -0.377   4.594  -0.906
   13    HB3  CYS   3           HB3      CYS   3  -1.611   5.277   0.143
   14    H    SER   4           H        SER   4  -4.483   3.468  -0.641
   15    HA   SER   4           HA       SER   4  -5.025   3.006   2.179
   16    HB2  SER   4           HB2      SER   4  -6.051   4.970   0.990
   17    HB3  SER   4           HB3      SER   4  -6.927   3.836  -0.035
   18    HG   SER   4           HG       SER   4  -7.118   3.818   2.794
   19    H    ASP   5           H        ASP   5  -4.870   1.389  -0.771
   20    HA   ASP   5           HA       ASP   5  -6.819  -0.671  -0.054
   21    HB2  ASP   5           HB2      ASP   5  -6.973   0.274  -2.335
   22    HB3  ASP   5           HB3      ASP   5  -5.295  -0.151  -2.623
   23    HA   PRO   6           HA       PRO   6  -3.362  -2.793   1.782
   24    HB2  PRO   6           HB2      PRO   6  -5.033  -5.230   1.395
   25    HB3  PRO   6           HB3      PRO   6  -4.261  -4.602   2.848
   26    HG2  PRO   6           HG2      PRO   6  -6.906  -4.337   2.446
   27    HG3  PRO   6           HG3      PRO   6  -5.947  -3.118   3.299
   28    HD2  PRO   6           HD2      PRO   6  -7.075  -3.048   0.544
   29    HD3  PRO   6           HD3      PRO   6  -6.802  -1.727   1.698
   30    HA   PRO   7           HA       PRO   7  -2.162  -5.928  -1.678
   31    HB2  PRO   7           HB2      PRO   7  -3.966  -5.135  -3.902
   32    HB3  PRO   7           HB3      PRO   7  -3.418  -6.744  -3.402
   33    HG2  PRO   7           HG2      PRO   7  -5.907  -6.017  -2.907
   34    HG3  PRO   7           HG3      PRO   7  -4.964  -6.889  -1.686
   35    HD2  PRO   7           HD2      PRO   7  -5.523  -3.952  -1.876
   36    HD3  PRO   7           HD3      PRO   7  -5.671  -5.026  -0.469
   37    H    CYS   8           H        CYS   8  -3.285  -2.716  -2.323
   38    HA   CYS   8           HA       CYS   8  -1.139  -2.145  -4.226
   39    HB2  CYS   8           HB2      CYS   8  -3.733  -1.421  -4.224
   40    HB3  CYS   8           HB3      CYS   8  -3.103  -0.109  -3.248
   41    H    ARG   9           H        ARG   9  -1.291  -2.472  -1.019
   42    HA   ARG   9           HA       ARG   9   0.351  -0.079  -0.398
   43    HB2  ARG   9           HB2      ARG   9  -1.965  -0.348   0.623
   44    HB3  ARG   9           HB3      ARG   9  -1.317  -1.726   1.454
   45    HG2  ARG   9           HG2      ARG   9   0.377  -0.336   2.517
   46    HG3  ARG   9           HG3      ARG   9  -0.347   1.081   1.745
   47    HD2  ARG   9           HD2      ARG   9  -1.186   0.862   4.028
   48    HD3  ARG   9           HD3      ARG   9  -2.478   0.597   2.856
   49    HE   ARG   9           HE       ARG   9  -1.076  -1.741   3.815
   50   HH11  ARG   9          HH11      ARG   9  -4.006   0.264   4.170
   51   HH12  ARG   9          HH12      ARG   9  -4.876  -0.963   4.958
   52   HH21  ARG   9          HH21      ARG   9  -2.309  -3.381   4.875
   53   HH22  ARG   9          HH22      ARG   9  -3.910  -3.058   5.364
   54    H    ASN  10           H        ASN  10  -0.360  -3.371   0.547
   55    HA   ASN  10           HA       ASN  10   1.966  -3.788   2.089
   56    HB2  ASN  10           HB2      ASN  10  -0.006  -5.131   2.493
   57    HB3  ASN  10           HB3      ASN  10   0.065  -5.794   0.870
   58   HD21  ASN  10          HD21      ASN  10   1.343  -7.534   0.486
   59   HD22  ASN  10          HD22      ASN  10   2.285  -8.335   1.685
   60    H    LYS  11           H        LYS  11   1.502  -4.017  -1.304
   61    HA   LYS  11           HA       LYS  11   3.923  -5.521  -1.710
   62    HB2  LYS  11           HB2      LYS  11   1.934  -4.202  -3.523
   63    HB3  LYS  11           HB3      LYS  11   3.333  -5.025  -4.121
   64    HG2  LYS  11           HG2      LYS  11   2.537  -7.108  -2.958
   65    HG3  LYS  11           HG3      LYS  11   1.088  -6.217  -2.496
   66    HD2  LYS  11           HD2      LYS  11   0.568  -5.879  -4.878
   67    HD3  LYS  11           HD3      LYS  11   1.988  -6.842  -5.305
   68    HE2  LYS  11           HE2      LYS  11   1.036  -8.743  -4.052
   69    HE3  LYS  11           HE3      LYS  11  -0.399  -7.780  -3.717
   70    HZ1  LYS  11           HZ1      LYS  11  -0.791  -9.238  -5.546
   71    HZ2  LYS  11           HZ2      LYS  11   0.534  -8.662  -6.399
   72    HZ3  LYS  11           HZ3      LYS  11  -0.798  -7.668  -6.136
   73    H    HIS  12           H        HIS  12   3.302  -2.501  -0.751
   74    HA   HIS  12           HA       HIS  12   5.516  -1.296  -2.232
   75    HB2  HIS  12           HB2      HIS  12   2.815  -0.068  -1.632
   76    HB3  HIS  12           HB3      HIS  12   4.133   0.823  -2.354
   77    HD1  HIS  12           HD1      HIS  12   4.723   0.103  -4.907
   78    HD2  HIS  12           HD2      HIS  12   1.357  -1.658  -3.243
   79    HE1  HIS  12           HE1      HIS  12   3.491  -1.026  -6.809
   80    HA   PRO  13           HA       PRO  13   5.387  -0.919   2.509
   81    HB2  PRO  13           HB2      PRO  13   7.567  -2.261   3.210
   82    HB3  PRO  13           HB3      PRO  13   6.081  -3.101   2.740
   83    HG2  PRO  13           HG2      PRO  13   8.543  -2.577   1.116
   84    HG3  PRO  13           HG3      PRO  13   7.602  -4.071   1.266
   85    HD2  PRO  13           HD2      PRO  13   7.334  -2.303  -0.810
   86    HD3  PRO  13           HD3      PRO  13   6.039  -3.382  -0.261
   87    H    ASP  14           H        ASP  14   7.373   0.270   0.164
   88    HA   ASP  14           HA       ASP  14   9.320   1.511   1.906
   89    HB2  ASP  14           HB2      ASP  14   9.998   0.930  -0.366
   90    HB3  ASP  14           HB3      ASP  14   8.723   1.956  -1.019
   91    H    LEU  15           H        LEU  15   6.634   2.608  -0.088
   92    HA   LEU  15           HA       LEU  15   6.722   5.112   1.279
   93    HB2  LEU  15           HB2      LEU  15   4.962   5.929  -0.225
   94    HB3  LEU  15           HB3      LEU  15   6.335   5.311  -1.100
   95    HG   LEU  15           HG       LEU  15   3.798   3.698  -0.742
   96   HD11  LEU  15          HD11      LEU  15   3.231   5.814  -1.810
   97   HD12  LEU  15          HD12      LEU  15   3.147   4.480  -2.961
   98   HD13  LEU  15          HD13      LEU  15   4.528   5.576  -2.983
   99   HD21  LEU  15          HD21      LEU  15   6.129   3.559  -2.656
  100   HD22  LEU  15          HD22      LEU  15   4.615   2.725  -2.906
  101   HD23  LEU  15          HD23      LEU  15   5.604   2.307  -1.514
  102    H    CYS  16           H        CYS  16   4.774   2.182   1.228
  103    HA   CYS  16           HA       CYS  16   3.091   3.344   3.259
  104    HB2  CYS  16           HB2      CYS  16   2.602   1.154   1.270
  105    HB3  CYS  16           HB3      CYS  16   1.480   1.793   2.459
  106    HN1  NH2  17           HN1      NH2  17   4.503   2.643   4.942
  107    HN2  NH2  17           HN2      NH2  17   4.767   0.972   5.288
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1  -7.866   3.950  -4.333
    2    H2   GLY   1           H2       GLY   1  -7.937   5.569  -3.857
    3    H3   GLY   1           H3       GLY   1  -7.469   4.368  -2.759
    4    HA2  GLY   1           HA2      GLY   1  -5.963   5.101  -5.176
    5    HA3  GLY   1           HA3      GLY   1  -5.537   5.557  -3.531
    6    H    CYS   2           H        CYS   2  -3.585   4.407  -3.652
    7    HA   CYS   2           HA       CYS   2  -3.865   1.463  -3.743
    8    HB2  CYS   2           HB2      CYS   2  -2.580   2.712  -5.569
    9    HB3  CYS   2           HB3      CYS   2  -1.426   3.065  -4.331
   10    H    CYS   3           H        CYS   3  -2.271   4.223  -2.432
   11    HA   CYS   3           HA       CYS   3  -0.593   2.910  -0.586
   12    HB2  CYS   3           HB2      CYS   3  -0.418   5.319  -1.406
   13    HB3  CYS   3           HB3      CYS   3  -1.646   5.709  -0.205
   14    H    SER   4           H        SER   4  -3.950   3.739  -0.411
   15    HA   SER   4           HA       SER   4  -4.016   2.834   2.376
   16    HB2  SER   4           HB2      SER   4  -4.881   5.165   1.819
   17    HB3  SER   4           HB3      SER   4  -6.153   4.395   0.879
   18    HG   SER   4           HG       SER   4  -5.623   4.155   3.633
   19    H    ASP   5           H        ASP   5  -3.947   1.331  -0.314
   20    HA   ASP   5           HA       ASP   5  -6.417  -0.228   0.053
   21    HB2  ASP   5           HB2      ASP   5  -6.302   0.881  -2.172
   22    HB3  ASP   5           HB3      ASP   5  -4.758   0.084  -2.459
   23    HA   PRO   6           HA       PRO   6  -3.287  -2.892   1.927
   24    HB2  PRO   6           HB2      PRO   6  -5.636  -4.746   1.814
   25    HB3  PRO   6           HB3      PRO   6  -4.510  -4.429   3.132
   26    HG2  PRO   6           HG2      PRO   6  -6.927  -3.321   3.140
   27    HG3  PRO   6           HG3      PRO   6  -5.505  -2.433   3.714
   28    HD2  PRO   6           HD2      PRO   6  -7.035  -2.119   1.179
   29    HD3  PRO   6           HD3      PRO   6  -6.175  -0.897   2.135
   30    HA   PRO   7           HA       PRO   7  -3.661  -6.519  -1.453
   31    HB2  PRO   7           HB2      PRO   7  -4.942  -4.808  -3.538
   32    HB3  PRO   7           HB3      PRO   7  -5.052  -6.560  -3.310
   33    HG2  PRO   7           HG2      PRO   7  -7.062  -5.047  -2.564
   34    HG3  PRO   7           HG3      PRO   7  -6.507  -6.346  -1.492
   35    HD2  PRO   7           HD2      PRO   7  -6.014  -3.404  -1.307
   36    HD3  PRO   7           HD3      PRO   7  -6.379  -4.570  -0.019
   37    H    CYS   8           H        CYS   8  -3.331  -3.092  -2.530
   38    HA   CYS   8           HA       CYS   8  -0.869  -3.977  -3.818
   39    HB2  CYS   8           HB2      CYS   8  -0.871  -1.960  -5.145
   40    HB3  CYS   8           HB3      CYS   8  -2.436  -2.747  -5.278
   41    H    ARG   9           H        ARG   9  -1.931  -2.303  -1.094
   42    HA   ARG   9           HA       ARG   9   0.194  -0.512  -0.588
   43    HB2  ARG   9           HB2      ARG   9  -2.088  -1.052   0.638
   44    HB3  ARG   9           HB3      ARG   9  -1.097  -2.154   1.541
   45    HG2  ARG   9           HG2      ARG   9  -0.451   0.732   1.298
   46    HG3  ARG   9           HG3      ARG   9  -1.451   0.109   2.622
   47    HD2  ARG   9           HD2      ARG   9   1.447  -0.476   1.983
   48    HD3  ARG   9           HD3      ARG   9   0.831   0.372   3.395
   49    HE   ARG   9           HE       ARG   9  -0.289  -2.160   3.390
   50   HH11  ARG   9          HH11      ARG   9   2.871  -0.639   3.890
   51   HH12  ARG   9          HH12      ARG   9   3.538  -2.017   4.669
   52   HH21  ARG   9          HH21      ARG   9   0.691  -4.042   4.442
   53   HH22  ARG   9          HH22      ARG   9   2.304  -3.942   4.979
   54    H    ASN  10           H        ASN  10  -0.252  -3.876   0.118
   55    HA   ASN  10           HA       ASN  10   2.214  -4.333   1.428
   56    HB2  ASN  10           HB2      ASN  10   0.428  -6.232  -0.072
   57    HB3  ASN  10           HB3      ASN  10   1.925  -6.772   0.672
   58   HD21  ASN  10          HD21      ASN  10   0.829  -8.132   2.067
   59   HD22  ASN  10          HD22      ASN  10  -0.078  -7.554   3.405
   60    H    LYS  11           H        LYS  11   1.664  -3.659  -1.859
   61    HA   LYS  11           HA       LYS  11   4.074  -4.896  -2.847
   62    HB2  LYS  11           HB2      LYS  11   2.011  -3.076  -4.072
   63    HB3  LYS  11           HB3      LYS  11   3.283  -3.828  -4.951
   64    HG2  LYS  11           HG2      LYS  11   2.357  -6.050  -4.472
   65    HG3  LYS  11           HG3      LYS  11   1.092  -5.308  -3.488
   66    HD2  LYS  11           HD2      LYS  11   0.297  -4.102  -5.496
   67    HD3  LYS  11           HD3      LYS  11   1.523  -4.926  -6.449
   68    HE2  LYS  11           HE2      LYS  11   0.526  -7.079  -5.886
   69    HE3  LYS  11           HE3      LYS  11  -0.692  -6.265  -4.906
   70    HZ1  LYS  11           HZ1      LYS  11  -0.340  -5.957  -7.845
   71    HZ2  LYS  11           HZ2      LYS  11  -1.494  -5.161  -6.936
   72    HZ3  LYS  11           HZ3      LYS  11  -1.545  -6.824  -7.087
   73    H    HIS  12           H        HIS  12   3.056  -2.107  -1.255
   74    HA   HIS  12           HA       HIS  12   5.338  -0.510  -2.198
   75    HB2  HIS  12           HB2      HIS  12   2.492   0.362  -1.770
   76    HB3  HIS  12           HB3      HIS  12   3.782   1.496  -2.063
   77    HD1  HIS  12           HD1      HIS  12   5.000   1.035  -4.599
   78    HD2  HIS  12           HD2      HIS  12   1.250  -0.559  -3.835
   79    HE1  HIS  12           HE1      HIS  12   4.069   0.362  -6.841
   80    HA   PRO  13           HA       PRO  13   4.452  -0.610   2.560
   81    HB2  PRO  13           HB2      PRO  13   6.435  -2.157   3.505
   82    HB3  PRO  13           HB3      PRO  13   4.925  -2.855   2.905
   83    HG2  PRO  13           HG2      PRO  13   7.567  -2.598   1.518
   84    HG3  PRO  13           HG3      PRO  13   6.474  -3.994   1.586
   85    HD2  PRO  13           HD2      PRO  13   6.568  -2.291  -0.532
   86    HD3  PRO  13           HD3      PRO  13   5.094  -3.148  -0.047
   87    H    ASP  14           H        ASP  14   6.957   0.018   0.511
   88    HA   ASP  14           HA       ASP  14   8.989   1.075   2.138
   89    HB2  ASP  14           HB2      ASP  14   9.231   0.437  -0.223
   90    HB3  ASP  14           HB3      ASP  14   8.232   1.805  -0.680
   91    H    LEU  15           H        LEU  15   6.654   2.809   0.124
   92    HA   LEU  15           HA       LEU  15   7.098   5.127   1.720
   93    HB2  LEU  15           HB2      LEU  15   5.862   6.427   0.096
   94    HB3  LEU  15           HB3      LEU  15   7.041   5.432  -0.718
   95    HG   LEU  15           HG       LEU  15   4.073   4.817  -0.611
   96   HD11  LEU  15          HD11      LEU  15   4.470   6.887  -1.804
   97   HD12  LEU  15          HD12      LEU  15   3.998   5.603  -2.915
   98   HD13  LEU  15          HD13      LEU  15   5.688   6.096  -2.805
   99   HD21  LEU  15          HD21      LEU  15   6.326   3.632  -2.243
  100   HD22  LEU  15          HD22      LEU  15   4.621   3.391  -2.577
  101   HD23  LEU  15          HD23      LEU  15   5.294   2.793  -1.068
  102    H    CYS  16           H        CYS  16   4.572   2.720   1.200
  103    HA   CYS  16           HA       CYS  16   2.837   4.207   2.925
  104    HB2  CYS  16           HB2      CYS  16   2.424   1.801   1.178
  105    HB3  CYS  16           HB3      CYS  16   1.189   2.653   2.094
  106    HN1  NH2  17           HN1      NH2  17   3.846   3.758   4.858
  107    HN2  NH2  17           HN2      NH2  17   3.960   2.177   5.541
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1  -7.064   5.150  -3.476
    2    H2   GLY   1           H2       GLY   1  -6.675   6.770  -3.256
    3    H3   GLY   1           H3       GLY   1  -6.334   5.630  -2.034
    4    HA2  GLY   1           HA2      GLY   1  -5.118   5.703  -4.722
    5    HA3  GLY   1           HA3      GLY   1  -4.329   6.192  -3.225
    6    H    CYS   2           H        CYS   2  -2.905   4.446  -4.273
    7    HA   CYS   2           HA       CYS   2  -3.587   1.697  -4.184
    8    HB2  CYS   2           HB2      CYS   2  -1.677   2.780  -5.402
    9    HB3  CYS   2           HB3      CYS   2  -0.913   3.007  -3.866
   10    H    CYS   3           H        CYS   3  -2.004   3.881  -2.093
   11    HA   CYS   3           HA       CYS   3  -1.411   2.020  -0.027
   12    HB2  CYS   3           HB2      CYS   3  -0.134   4.102  -0.378
   13    HB3  CYS   3           HB3      CYS   3  -1.514   5.040   0.147
   14    H    SER   4           H        SER   4  -4.338   3.451  -0.934
   15    HA   SER   4           HA       SER   4  -5.509   3.418   1.699
   16    HB2  SER   4           HB2      SER   4  -6.858   3.692  -0.978
   17    HB3  SER   4           HB3      SER   4  -7.404   4.272   0.597
   18    HG   SER   4           HG       SER   4  -5.109   5.365   0.310
   19    H    ASP   5           H        ASP   5  -4.674   1.215  -0.673
   20    HA   ASP   5           HA       ASP   5  -6.814  -0.665   0.058
   21    HB2  ASP   5           HB2      ASP   5  -7.007  -0.043  -2.276
   22    HB3  ASP   5           HB3      ASP   5  -5.299  -0.365  -2.544
   23    HA   PRO   6           HA       PRO   6  -3.284  -2.514   2.079
   24    HB2  PRO   6           HB2      PRO   6  -5.091  -4.883   2.239
   25    HB3  PRO   6           HB3      PRO   6  -4.154  -4.081   3.496
   26    HG2  PRO   6           HG2      PRO   6  -6.797  -3.701   3.302
   27    HG3  PRO   6           HG3      PRO   6  -5.696  -2.410   3.810
   28    HD2  PRO   6           HD2      PRO   6  -7.077  -2.799   1.194
   29    HD3  PRO   6           HD3      PRO   6  -6.669  -1.296   2.049
   30    HA   PRO   7           HA       PRO   7  -2.560  -6.313  -0.870
   31    HB2  PRO   7           HB2      PRO   7  -4.472  -5.716  -3.070
   32    HB3  PRO   7           HB3      PRO   7  -3.984  -7.279  -2.406
   33    HG2  PRO   7           HG2      PRO   7  -6.371  -6.311  -1.844
   34    HG3  PRO   7           HG3      PRO   7  -5.408  -7.089  -0.574
   35    HD2  PRO   7           HD2      PRO   7  -5.818  -4.165  -1.105
   36    HD3  PRO   7           HD3      PRO   7  -5.871  -5.040   0.440
   37    H    CYS   8           H        CYS   8  -3.604  -3.213  -2.197
   38    HA   CYS   8           HA       CYS   8  -1.555  -3.181  -4.212
   39    HB2  CYS   8           HB2      CYS   8  -3.795  -1.909  -4.289
   40    HB3  CYS   8           HB3      CYS   8  -3.084  -0.795  -3.136
   41    H    ARG   9           H        ARG   9  -2.051  -1.694  -1.050
   42    HA   ARG   9           HA       ARG   9   0.252  -0.065  -0.821
   43    HB2  ARG   9           HB2      ARG   9  -1.893  -0.216   0.545
   44    HB3  ARG   9           HB3      ARG   9  -1.165  -1.565   1.329
   45    HG2  ARG   9           HG2      ARG   9   0.683  -0.245   2.163
   46    HG3  ARG   9           HG3      ARG   9   0.037   1.194   1.372
   47    HD2  ARG   9           HD2      ARG   9  -0.564   1.151   3.754
   48    HD3  ARG   9           HD3      ARG   9  -1.995   1.039   2.729
   49    HE   ARG   9           HE       ARG   9  -0.894  -1.474   3.506
   50   HH11  ARG   9          HH11      ARG   9  -3.193   1.055   4.510
   51   HH12  ARG   9          HH12      ARG   9  -4.099   0.010   5.500
   52   HH21  ARG   9          HH21      ARG   9  -2.169  -2.884   4.870
   53   HH22  ARG   9          HH22      ARG   9  -3.505  -2.264   5.709
   54    H    ASN  10           H        ASN  10  -0.427  -3.314  -0.060
   55    HA   ASN  10           HA       ASN  10   1.889  -4.091   1.316
   56    HB2  ASN  10           HB2      ASN  10  -0.104  -5.513   1.231
   57    HB3  ASN  10           HB3      ASN  10   0.160  -5.809  -0.479
   58   HD21  ASN  10          HD21      ASN  10   1.618  -7.367  -1.086
   59   HD22  ASN  10          HD22      ASN  10   2.429  -8.396   0.023
   60    H    LYS  11           H        LYS  11   1.581  -3.435  -2.047
   61    HA   LYS  11           HA       LYS  11   4.015  -4.810  -2.746
   62    HB2  LYS  11           HB2      LYS  11   2.176  -2.975  -4.253
   63    HB3  LYS  11           HB3      LYS  11   3.525  -3.808  -4.951
   64    HG2  LYS  11           HG2      LYS  11   2.459  -5.975  -4.346
   65    HG3  LYS  11           HG3      LYS  11   1.068  -5.067  -3.749
   66    HD2  LYS  11           HD2      LYS  11   0.765  -4.105  -5.982
   67    HD3  LYS  11           HD3      LYS  11   2.121  -5.067  -6.567
   68    HE2  LYS  11           HE2      LYS  11   0.058  -6.186  -7.152
   69    HE3  LYS  11           HE3      LYS  11   0.905  -7.119  -5.924
   70    HZ1  LYS  11           HZ1      LYS  11  -1.439  -6.996  -5.422
   71    HZ2  LYS  11           HZ2      LYS  11  -1.428  -5.336  -5.487
   72    HZ3  LYS  11           HZ3      LYS  11  -0.599  -6.129  -4.245
   73    H    HIS  12           H        HIS  12   3.163  -1.987  -1.241
   74    HA   HIS  12           HA       HIS  12   5.508  -0.526  -2.210
   75    HB2  HIS  12           HB2      HIS  12   2.715   0.514  -1.785
   76    HB3  HIS  12           HB3      HIS  12   4.079   1.562  -2.097
   77    HD1  HIS  12           HD1      HIS  12   5.223   1.152  -4.574
   78    HD2  HIS  12           HD2      HIS  12   1.499  -0.542  -3.912
   79    HE1  HIS  12           HE1      HIS  12   4.333   0.488  -6.848
   80    HA   PRO  13           HA       PRO  13   4.775  -0.563   2.560
   81    HB2  PRO  13           HB2      PRO  13   7.038  -2.353   2.958
   82    HB3  PRO  13           HB3      PRO  13   5.354  -2.593   3.433
   83    HG2  PRO  13           HG2      PRO  13   6.561  -4.058   1.496
   84    HG3  PRO  13           HG3      PRO  13   4.826  -3.695   1.497
   85    HD2  PRO  13           HD2      PRO  13   7.034  -2.355  -0.027
   86    HD3  PRO  13           HD3      PRO  13   5.423  -2.857  -0.592
   87    H    ASP  14           H        ASP  14   7.371  -0.194   0.432
   88    HA   ASP  14           HA       ASP  14   9.303   0.970   2.145
   89    HB2  ASP  14           HB2      ASP  14   9.967   0.220  -0.060
   90    HB3  ASP  14           HB3      ASP  14   8.833   1.337  -0.816
   91    H    LEU  15           H        LEU  15   6.678   2.306   0.211
   92    HA   LEU  15           HA       LEU  15   7.314   4.853   1.294
   93    HB2  LEU  15           HB2      LEU  15   5.544   5.759  -0.262
   94    HB3  LEU  15           HB3      LEU  15   6.925   5.018  -1.024
   95    HG   LEU  15           HG       LEU  15   5.354   2.932  -1.192
   96   HD11  LEU  15          HD11      LEU  15   3.536   3.781   0.143
   97   HD12  LEU  15          HD12      LEU  15   3.010   3.501  -1.517
   98   HD13  LEU  15          HD13      LEU  15   3.334   5.142  -0.959
   99   HD21  LEU  15          HD21      LEU  15   6.260   4.136  -3.091
  100   HD22  LEU  15          HD22      LEU  15   5.014   5.370  -2.920
  101   HD23  LEU  15          HD23      LEU  15   4.568   3.725  -3.372
  102    H    CYS  16           H        CYS  16   4.720   2.448   1.530
  103    HA   CYS  16           HA       CYS  16   3.688   4.007   3.732
  104    HB2  CYS  16           HB2      CYS  16   2.477   2.140   1.761
  105    HB3  CYS  16           HB3      CYS  16   1.700   2.438   3.304
  106    HN1  NH2  17           HN1      NH2  17   5.051   3.193   5.279
  107    HN2  NH2  17           HN2      NH2  17   5.078   1.534   5.760
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1  -5.191   7.493  -4.101
    2    H2   GLY   1           H2       GLY   1  -5.856   6.216  -3.202
    3    H3   GLY   1           H3       GLY   1  -5.275   5.943  -4.761
    4    HA2  GLY   1           HA2      GLY   1  -3.048   6.413  -4.074
    5    HA3  GLY   1           HA3      GLY   1  -3.631   6.747  -2.454
    6    H    CYS   2           H        CYS   2  -1.762   4.706  -3.549
    7    HA   CYS   2           HA       CYS   2  -2.961   2.114  -3.558
    8    HB2  CYS   2           HB2      CYS   2  -0.761   3.008  -4.512
    9    HB3  CYS   2           HB3      CYS   2  -0.147   2.839  -2.909
   10    H    CYS   3           H        CYS   3  -1.603   4.215  -1.307
   11    HA   CYS   3           HA       CYS   3  -1.184   2.438   0.844
   12    HB2  CYS   3           HB2      CYS   3  -0.185   4.693   0.766
   13    HB3  CYS   3           HB3      CYS   3  -1.766   5.413   0.995
   14    H    SER   4           H        SER   4  -4.133   3.791  -0.413
   15    HA   SER   4           HA       SER   4  -5.586   2.994   1.978
   16    HB2  SER   4           HB2      SER   4  -6.155   5.189   0.964
   17    HB3  SER   4           HB3      SER   4  -6.590   4.368  -0.532
   18    HG   SER   4           HG       SER   4  -8.086   3.147   0.857
   19    H    ASP   5           H        ASP   5  -4.364   1.421  -0.583
   20    HA   ASP   5           HA       ASP   5  -6.642  -0.413  -0.713
   21    HB2  ASP   5           HB2      ASP   5  -6.253   0.625  -2.925
   22    HB3  ASP   5           HB3      ASP   5  -4.566   0.123  -2.862
   23    HA   PRO   6           HA       PRO   6  -3.463  -2.492   1.741
   24    HB2  PRO   6           HB2      PRO   6  -5.652  -4.526   1.711
   25    HB3  PRO   6           HB3      PRO   6  -4.645  -3.963   3.045
   26    HG2  PRO   6           HG2      PRO   6  -7.128  -3.070   2.806
   27    HG3  PRO   6           HG3      PRO   6  -5.818  -1.985   3.301
   28    HD2  PRO   6           HD2      PRO   6  -7.191  -2.206   0.657
   29    HD3  PRO   6           HD3      PRO   6  -6.584  -0.765   1.500
   30    HA   PRO   7           HA       PRO   7  -3.417  -6.405  -1.270
   31    HB2  PRO   7           HB2      PRO   7  -4.768  -5.095  -3.574
   32    HB3  PRO   7           HB3      PRO   7  -4.747  -6.800  -3.103
   33    HG2  PRO   7           HG2      PRO   7  -6.897  -5.355  -2.631
   34    HG3  PRO   7           HG3      PRO   7  -6.296  -6.472  -1.390
   35    HD2  PRO   7           HD2      PRO   7  -6.010  -3.504  -1.562
   36    HD3  PRO   7           HD3      PRO   7  -6.358  -4.522  -0.151
   37    H    CYS   8           H        CYS   8  -3.365  -3.079  -2.728
   38    HA   CYS   8           HA       CYS   8  -0.895  -3.868  -4.017
   39    HB2  CYS   8           HB2      CYS   8  -0.893  -1.804  -5.208
   40    HB3  CYS   8           HB3      CYS   8  -2.565  -2.323  -5.181
   41    H    ARG   9           H        ARG   9  -1.923  -2.025  -1.286
   42    HA   ARG   9           HA       ARG   9   0.292  -0.489  -0.613
   43    HB2  ARG   9           HB2      ARG   9  -1.977  -0.657   0.483
   44    HB3  ARG   9           HB3      ARG   9  -1.363  -2.053   1.298
   45    HG2  ARG   9           HG2      ARG   9   0.311  -0.898   2.437
   46    HG3  ARG   9           HG3      ARG   9   0.057   0.545   1.462
   47    HD2  ARG   9           HD2      ARG   9  -0.916   0.823   3.693
   48    HD3  ARG   9           HD3      ARG   9  -2.145   0.864   2.442
   49    HE   ARG   9           HE       ARG   9  -1.718  -1.676   3.778
   50   HH11  ARG   9          HH11      ARG   9  -3.715   1.262   3.458
   51   HH12  ARG   9          HH12      ARG   9  -4.971   0.680   4.443
   52   HH21  ARG   9          HH21      ARG   9  -3.465  -2.446   5.155
   53   HH22  ARG   9          HH22      ARG   9  -4.826  -1.470   5.445
   54    H    ASN  10           H        ASN  10  -0.408  -3.755   0.206
   55    HA   ASN  10           HA       ASN  10   1.915  -4.257   1.746
   56    HB2  ASN  10           HB2      ASN  10   0.139  -6.213   0.292
   57    HB3  ASN  10           HB3      ASN  10   1.552  -6.747   1.188
   58   HD21  ASN  10          HD21      ASN  10   1.501  -6.677   3.448
   59   HD22  ASN  10          HD22      ASN  10   0.040  -6.417   4.315
   60    H    LYS  11           H        LYS  11   1.647  -3.963  -1.659
   61    HA   LYS  11           HA       LYS  11   4.120  -5.336  -2.210
   62    HB2  LYS  11           HB2      LYS  11   2.231  -3.725  -3.922
   63    HB3  LYS  11           HB3      LYS  11   3.625  -4.564  -4.504
   64    HG2  LYS  11           HG2      LYS  11   2.625  -6.721  -3.808
   65    HG3  LYS  11           HG3      LYS  11   1.201  -5.845  -3.239
   66    HD2  LYS  11           HD2      LYS  11   0.757  -5.060  -5.503
   67    HD3  LYS  11           HD3      LYS  11   2.221  -5.856  -6.080
   68    HE2  LYS  11           HE2      LYS  11   0.322  -7.240  -6.637
   69    HE3  LYS  11           HE3      LYS  11   1.260  -8.025  -5.374
   70    HZ1  LYS  11           HZ1      LYS  11  -0.376  -7.187  -3.749
   71    HZ2  LYS  11           HZ2      LYS  11  -1.043  -8.216  -4.869
   72    HZ3  LYS  11           HZ3      LYS  11  -1.295  -6.553  -5.008
   73    H    HIS  12           H        HIS  12   3.198  -2.402  -0.949
   74    HA   HIS  12           HA       HIS  12   5.504  -1.011  -2.108
   75    HB2  HIS  12           HB2      HIS  12   2.707   0.033  -1.834
   76    HB3  HIS  12           HB3      HIS  12   4.051   1.082  -2.204
   77    HD1  HIS  12           HD1      HIS  12   5.273   0.452  -4.635
   78    HD2  HIS  12           HD2      HIS  12   1.582  -1.224  -3.793
   79    HE1  HIS  12           HE1      HIS  12   4.435  -0.526  -6.822
   80    HA   PRO  13           HA       PRO  13   5.237  -0.594   2.586
   81    HB2  PRO  13           HB2      PRO  13   7.943  -1.716   2.601
   82    HB3  PRO  13           HB3      PRO  13   6.507  -2.281   3.457
   83    HG2  PRO  13           HG2      PRO  13   7.573  -3.682   1.415
   84    HG3  PRO  13           HG3      PRO  13   5.825  -3.624   1.701
   85    HD2  PRO  13           HD2      PRO  13   7.465  -2.059  -0.250
   86    HD3  PRO  13           HD3      PRO  13   5.930  -2.921  -0.510
   87    H    ASP  14           H        ASP  14   7.352   0.165   0.081
   88    HA   ASP  14           HA       ASP  14   9.311   1.772   1.201
   89    HB2  ASP  14           HB2      ASP  14   9.454   1.110  -1.096
   90    HB3  ASP  14           HB3      ASP  14   7.956   1.944  -1.487
   91    H    LEU  15           H        LEU  15   6.205   2.754  -0.123
   92    HA   LEU  15           HA       LEU  15   6.599   5.293   1.150
   93    HB2  LEU  15           HB2      LEU  15   4.728   6.209  -0.142
   94    HB3  LEU  15           HB3      LEU  15   5.977   5.546  -1.159
   95    HG   LEU  15           HG       LEU  15   3.454   3.984  -0.571
   96   HD11  LEU  15          HD11      LEU  15   3.935   5.970  -2.794
   97   HD12  LEU  15          HD12      LEU  15   2.783   6.158  -1.472
   98   HD13  LEU  15          HD13      LEU  15   2.556   4.880  -2.664
   99   HD21  LEU  15          HD21      LEU  15   5.463   3.965  -2.821
  100   HD22  LEU  15          HD22      LEU  15   3.976   3.040  -2.794
  101   HD23  LEU  15          HD23      LEU  15   5.242   2.690  -1.614
  102    H    CYS  16           H        CYS  16   4.445   2.535   1.261
  103    HA   CYS  16           HA       CYS  16   3.344   3.680   3.678
  104    HB2  CYS  16           HB2      CYS  16   1.749   4.276   1.929
  105    HB3  CYS  16           HB3      CYS  16   1.661   2.603   1.401
  106    HN1  NH2  17           HN1      NH2  17   2.353   0.778   1.884
  107    HN2  NH2  17           HN2      NH2  17   2.924  -0.334   3.066
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1  -5.667   6.156  -0.572
    2    H2   GLY   1           H2       GLY   1  -7.130   5.899  -1.337
    3    H3   GLY   1           H3       GLY   1  -6.476   7.453  -1.294
    4    HA2  GLY   1           HA2      GLY   1  -6.177   6.500  -3.469
    5    HA3  GLY   1           HA3      GLY   1  -4.622   6.670  -2.650
    6    H    CYS   2           H        CYS   2  -3.935   4.966  -4.181
    7    HA   CYS   2           HA       CYS   2  -5.022   2.296  -3.888
    8    HB2  CYS   2           HB2      CYS   2  -3.692   3.446  -5.869
    9    HB3  CYS   2           HB3      CYS   2  -2.299   2.913  -4.971
   10    H    CYS   3           H        CYS   3  -2.499   4.206  -2.726
   11    HA   CYS   3           HA       CYS   3  -0.900   2.406  -1.278
   12    HB2  CYS   3           HB2      CYS   3  -0.228   4.697  -1.848
   13    HB3  CYS   3           HB3      CYS   3  -1.476   5.340  -0.793
   14    H    SER   4           H        SER   4  -4.055   3.620  -0.653
   15    HA   SER   4           HA       SER   4  -4.006   3.146   2.196
   16    HB2  SER   4           HB2      SER   4  -6.310   3.939   0.456
   17    HB3  SER   4           HB3      SER   4  -6.008   4.318   2.155
   18    HG   SER   4           HG       SER   4  -4.190   5.551   1.440
   19    H    ASP   5           H        ASP   5  -4.339   1.337  -0.583
   20    HA   ASP   5           HA       ASP   5  -6.472  -0.368   0.475
   21    HB2  ASP   5           HB2      ASP   5  -6.877   0.511  -1.794
   22    HB3  ASP   5           HB3      ASP   5  -5.345  -0.159  -2.334
   23    HA   PRO   6           HA       PRO   6  -3.267  -2.991   2.009
   24    HB2  PRO   6           HB2      PRO   6  -5.316  -5.140   1.622
   25    HB3  PRO   6           HB3      PRO   6  -4.335  -4.753   3.029
   26    HG2  PRO   6           HG2      PRO   6  -6.901  -4.026   2.897
   27    HG3  PRO   6           HG3      PRO   6  -5.679  -3.022   3.692
   28    HD2  PRO   6           HD2      PRO   6  -7.044  -2.625   1.079
   29    HD3  PRO   6           HD3      PRO   6  -6.409  -1.430   2.229
   30    HA   PRO   7           HA       PRO   7  -2.660  -6.223  -1.553
   31    HB2  PRO   7           HB2      PRO   7  -4.428  -5.190  -3.700
   32    HB3  PRO   7           HB3      PRO   7  -4.107  -6.860  -3.223
   33    HG2  PRO   7           HG2      PRO   7  -6.432  -5.732  -2.643
   34    HG3  PRO   7           HG3      PRO   7  -5.624  -6.793  -1.474
   35    HD2  PRO   7           HD2      PRO   7  -5.726  -3.799  -1.559
   36    HD3  PRO   7           HD3      PRO   7  -5.952  -4.883  -0.173
   37    H    CYS   8           H        CYS   8  -3.329  -2.869  -2.071
   38    HA   CYS   8           HA       CYS   8  -1.148  -2.671  -4.008
   39    HB2  CYS   8           HB2      CYS   8  -3.414  -1.735  -4.595
   40    HB3  CYS   8           HB3      CYS   8  -3.235  -0.604  -3.267
   41    H    ARG   9           H        ARG   9  -1.370  -2.781  -0.880
   42    HA   ARG   9           HA       ARG   9   0.442  -0.505  -0.334
   43    HB2  ARG   9           HB2      ARG   9  -1.785  -0.735   0.852
   44    HB3  ARG   9           HB3      ARG   9  -1.129  -2.156   1.588
   45    HG2  ARG   9           HG2      ARG   9   0.642  -0.971   2.644
   46    HG3  ARG   9           HG3      ARG   9   0.157   0.512   1.818
   47    HD2  ARG   9           HD2      ARG   9  -0.626   0.457   4.163
   48    HD3  ARG   9           HD3      ARG   9  -1.952   0.546   3.007
   49    HE   ARG   9           HE       ARG   9  -1.210  -2.102   3.874
   50   HH11  ARG   9          HH11      ARG   9  -3.305   0.683   4.556
   51   HH12  ARG   9          HH12      ARG   9  -4.527  -0.212   5.317
   52   HH21  ARG   9          HH21      ARG   9  -2.919  -3.356   4.939
   53   HH22  ARG   9          HH22      ARG   9  -4.300  -2.557   5.502
   54    H    ASN  10           H        ASN  10  -0.291  -3.795   0.218
   55    HA   ASN  10           HA       ASN  10   1.971  -4.700   1.606
   56    HB2  ASN  10           HB2      ASN  10  -0.032  -6.074   1.310
   57    HB3  ASN  10           HB3      ASN  10   0.275  -6.183  -0.414
   58   HD21  ASN  10          HD21      ASN  10   1.164  -7.323   2.735
   59   HD22  ASN  10          HD22      ASN  10   2.116  -8.654   2.184
   60    H    LYS  11           H        LYS  11   1.593  -3.940  -1.718
   61    HA   LYS  11           HA       LYS  11   4.104  -5.094  -2.538
   62    HB2  LYS  11           HB2      LYS  11   1.995  -3.502  -3.961
   63    HB3  LYS  11           HB3      LYS  11   3.396  -4.179  -4.713
   64    HG2  LYS  11           HG2      LYS  11   1.178  -5.736  -3.380
   65    HG3  LYS  11           HG3      LYS  11   1.449  -5.592  -5.117
   66    HD2  LYS  11           HD2      LYS  11   3.627  -6.727  -4.847
   67    HD3  LYS  11           HD3      LYS  11   3.310  -6.889  -3.122
   68    HE2  LYS  11           HE2      LYS  11   2.802  -8.957  -4.260
   69    HE3  LYS  11           HE3      LYS  11   1.330  -8.239  -3.619
   70    HZ1  LYS  11           HZ1      LYS  11   1.031  -9.103  -5.851
   71    HZ2  LYS  11           HZ2      LYS  11   2.220  -8.070  -6.456
   72    HZ3  LYS  11           HZ3      LYS  11   0.796  -7.441  -5.835
   73    H    HIS  12           H        HIS  12   3.309  -2.380  -0.856
   74    HA   HIS  12           HA       HIS  12   5.456  -0.813  -2.086
   75    HB2  HIS  12           HB2      HIS  12   2.646   0.211  -1.639
   76    HB3  HIS  12           HB3      HIS  12   3.997   1.245  -2.056
   77    HD1  HIS  12           HD1      HIS  12   5.088   0.645  -4.539
   78    HD2  HIS  12           HD2      HIS  12   1.356  -0.903  -3.636
   79    HE1  HIS  12           HE1      HIS  12   4.125  -0.120  -6.736
   80    HA   PRO  13           HA       PRO  13   4.851  -0.701   2.624
   81    HB2  PRO  13           HB2      PRO  13   7.296  -2.188   3.041
   82    HB3  PRO  13           HB3      PRO  13   5.652  -2.628   3.505
   83    HG2  PRO  13           HG2      PRO  13   7.074  -3.931   1.572
   84    HG3  PRO  13           HG3      PRO  13   5.303  -3.849   1.594
   85    HD2  PRO  13           HD2      PRO  13   7.271  -2.250   0.003
   86    HD3  PRO  13           HD3      PRO  13   5.714  -2.946  -0.501
   87    H    ASP  14           H        ASP  14   7.464  -0.035   0.524
   88    HA   ASP  14           HA       ASP  14   9.126   1.283   2.410
   89    HB2  ASP  14           HB2      ASP  14  10.049   0.565   0.252
   90    HB3  ASP  14           HB3      ASP  14   9.024   1.734  -0.581
   91    H    LEU  15           H        LEU  15   6.601   2.421   0.267
   92    HA   LEU  15           HA       LEU  15   6.899   5.014   1.432
   93    HB2  LEU  15           HB2      LEU  15   5.187   5.822  -0.215
   94    HB3  LEU  15           HB3      LEU  15   6.670   5.235  -0.917
   95    HG   LEU  15           HG       LEU  15   4.250   3.434  -0.807
   96   HD11  LEU  15          HD11      LEU  15   3.502   5.565  -1.806
   97   HD12  LEU  15          HD12      LEU  15   3.582   4.273  -2.998
   98   HD13  LEU  15          HD13      LEU  15   4.853   5.494  -2.941
   99   HD21  LEU  15          HD21      LEU  15   6.370   2.428  -1.507
  100   HD22  LEU  15          HD22      LEU  15   6.602   3.727  -2.667
  101   HD23  LEU  15          HD23      LEU  15   5.289   2.583  -2.895
  102    H    CYS  16           H        CYS  16   4.366   2.518   1.024
  103    HA   CYS  16           HA       CYS  16   2.579   3.985   2.689
  104    HB2  CYS  16           HB2      CYS  16   2.375   1.291   1.363
  105    HB3  CYS  16           HB3      CYS  16   1.084   2.249   2.085
  106    HN1  NH2  17           HN1      NH2  17   3.442   3.859   4.716
  107    HN2  NH2  17           HN2      NH2  17   3.709   2.388   5.589
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1  -6.190   6.488  -4.409
    2    H2   GLY   1           H2       GLY   1  -4.551   6.825  -4.580
    3    H3   GLY   1           H3       GLY   1  -5.573   7.956  -3.850
    4    HA2  GLY   1           HA2      GLY   1  -4.271   6.796  -2.198
    5    HA3  GLY   1           HA3      GLY   1  -5.999   6.474  -2.031
    6    H    CYS   2           H        CYS   2  -2.991   5.204  -3.370
    7    HA   CYS   2           HA       CYS   2  -4.189   2.623  -3.913
    8    HB2  CYS   2           HB2      CYS   2  -2.238   3.944  -5.088
    9    HB3  CYS   2           HB3      CYS   2  -1.267   3.136  -3.895
   10    H    CYS   3           H        CYS   3  -2.145   4.150  -1.623
   11    HA   CYS   3           HA       CYS   3  -1.366   1.805  -0.198
   12    HB2  CYS   3           HB2      CYS   3  -0.055   3.895  -0.099
   13    HB3  CYS   3           HB3      CYS   3  -1.376   4.689   0.738
   14    H    SER   4           H        SER   4  -4.288   3.469  -0.329
   15    HA   SER   4           HA       SER   4  -5.170   2.661   2.303
   16    HB2  SER   4           HB2      SER   4  -5.894   4.818   1.206
   17    HB3  SER   4           HB3      SER   4  -6.760   3.855   0.021
   18    HG   SER   4           HG       SER   4  -8.265   4.283   1.497
   19    H    ASP   5           H        ASP   5  -4.723   1.258  -0.646
   20    HA   ASP   5           HA       ASP   5  -6.855  -0.719  -0.342
   21    HB2  ASP   5           HB2      ASP   5  -6.806   0.235  -2.554
   22    HB3  ASP   5           HB3      ASP   5  -5.062   0.064  -2.652
   23    HA   PRO   6           HA       PRO   6  -3.587  -2.937   1.765
   24    HB2  PRO   6           HB2      PRO   6  -5.463  -5.230   1.379
   25    HB3  PRO   6           HB3      PRO   6  -4.649  -4.674   2.838
   26    HG2  PRO   6           HG2      PRO   6  -7.243  -4.152   2.434
   27    HG3  PRO   6           HG3      PRO   6  -6.175  -2.991   3.238
   28    HD2  PRO   6           HD2      PRO   6  -7.276  -2.947   0.466
   29    HD3  PRO   6           HD3      PRO   6  -6.923  -1.600   1.568
   30    HA   PRO   7           HA       PRO   7  -2.829  -6.349  -1.706
   31    HB2  PRO   7           HB2      PRO   7  -4.377  -5.065  -3.903
   32    HB3  PRO   7           HB3      PRO   7  -4.096  -6.785  -3.590
   33    HG2  PRO   7           HG2      PRO   7  -6.443  -5.753  -3.034
   34    HG3  PRO   7           HG3      PRO   7  -5.669  -6.851  -1.874
   35    HD2  PRO   7           HD2      PRO   7  -5.840  -3.865  -1.814
   36    HD3  PRO   7           HD3      PRO   7  -6.096  -5.030  -0.500
   37    H    CYS   8           H        CYS   8  -3.418  -2.986  -2.669
   38    HA   CYS   8           HA       CYS   8  -1.031  -2.831  -4.205
   39    HB2  CYS   8           HB2      CYS   8  -2.827  -1.292  -4.723
   40    HB3  CYS   8           HB3      CYS   8  -2.811  -0.657  -3.081
   41    H    ARG   9           H        ARG   9  -1.956  -1.633  -0.991
   42    HA   ARG   9           HA       ARG   9   0.371  -0.284  -0.254
   43    HB2  ARG   9           HB2      ARG   9  -1.831  -0.433   0.932
   44    HB3  ARG   9           HB3      ARG   9  -1.328  -1.985   1.500
   45    HG2  ARG   9           HG2      ARG   9   0.646  -1.071   2.556
   46    HG3  ARG   9           HG3      ARG   9   0.150   0.544   2.063
   47    HD2  ARG   9           HD2      ARG   9  -1.834   0.432   3.423
   48    HD3  ARG   9           HD3      ARG   9  -1.540  -1.268   3.790
   49    HE   ARG   9           HE       ARG   9   0.665   0.209   4.621
   50   HH11  ARG   9          HH11      ARG   9  -2.750  -0.108   5.524
   51   HH12  ARG   9          HH12      ARG   9  -2.478   0.147   7.182
   52   HH21  ARG   9          HH21      ARG   9   1.034   0.588   6.870
   53   HH22  ARG   9          HH22      ARG   9  -0.283   0.609   7.966
   54    H    ASN  10           H        ASN  10  -0.498  -3.561   0.130
   55    HA   ASN  10           HA       ASN  10   1.706  -4.484   1.607
   56    HB2  ASN  10           HB2      ASN  10  -0.311  -5.849   1.361
   57    HB3  ASN  10           HB3      ASN  10   0.028  -6.075  -0.348
   58   HD21  ASN  10          HD21      ASN  10   1.453  -7.646  -0.955
   59   HD22  ASN  10          HD22      ASN  10   2.221  -8.722   0.154
   60    H    LYS  11           H        LYS  11   1.629  -3.671  -1.728
   61    HA   LYS  11           HA       LYS  11   4.125  -5.032  -2.237
   62    HB2  LYS  11           HB2      LYS  11   2.259  -3.416  -3.923
   63    HB3  LYS  11           HB3      LYS  11   3.755  -4.094  -4.496
   64    HG2  LYS  11           HG2      LYS  11   2.879  -6.355  -3.922
   65    HG3  LYS  11           HG3      LYS  11   1.346  -5.590  -3.492
   66    HD2  LYS  11           HD2      LYS  11   1.163  -4.702  -5.758
   67    HD3  LYS  11           HD3      LYS  11   2.685  -5.487  -6.185
   68    HE2  LYS  11           HE2      LYS  11   0.872  -6.840  -6.955
   69    HE3  LYS  11           HE3      LYS  11   1.664  -7.653  -5.608
   70    HZ1  LYS  11           HZ1      LYS  11  -0.688  -7.809  -5.375
   71    HZ2  LYS  11           HZ2      LYS  11  -0.886  -6.152  -5.515
   72    HZ3  LYS  11           HZ3      LYS  11  -0.128  -6.790  -4.152
   73    H    HIS  12           H        HIS  12   3.098  -2.192  -0.867
   74    HA   HIS  12           HA       HIS  12   5.434  -0.739  -1.878
   75    HB2  HIS  12           HB2      HIS  12   2.648   0.361  -1.566
   76    HB3  HIS  12           HB3      HIS  12   4.030   1.360  -1.939
   77    HD1  HIS  12           HD1      HIS  12   5.046   0.973  -4.472
   78    HD2  HIS  12           HD2      HIS  12   1.520  -0.962  -3.510
   79    HE1  HIS  12           HE1      HIS  12   4.126   0.098  -6.654
   80    HA   PRO  13           HA       PRO  13   4.608  -0.341   2.812
   81    HB2  PRO  13           HB2      PRO  13   6.301  -2.082   3.944
   82    HB3  PRO  13           HB3      PRO  13   4.764  -2.642   3.266
   83    HG2  PRO  13           HG2      PRO  13   7.498  -2.748   2.056
   84    HG3  PRO  13           HG3      PRO  13   6.255  -4.012   2.127
   85    HD2  PRO  13           HD2      PRO  13   6.678  -2.408  -0.054
   86    HD3  PRO  13           HD3      PRO  13   5.119  -3.161   0.328
   87    H    ASP  14           H        ASP  14   7.133  -0.073   0.682
   88    HA   ASP  14           HA       ASP  14   9.069   1.053   2.526
   89    HB2  ASP  14           HB2      ASP  14   9.820  -0.329   0.612
   90    HB3  ASP  14           HB3      ASP  14   9.173   0.872  -0.492
   91    H    LEU  15           H        LEU  15   6.972   2.170  -0.133
   92    HA   LEU  15           HA       LEU  15   7.776   4.826   0.495
   93    HB2  LEU  15           HB2      LEU  15   6.417   5.577  -1.435
   94    HB3  LEU  15           HB3      LEU  15   7.625   4.393  -1.848
   95    HG   LEU  15           HG       LEU  15   5.700   2.682  -1.838
   96   HD11  LEU  15          HD11      LEU  15   4.053   5.194  -1.995
   97   HD12  LEU  15          HD12      LEU  15   4.016   3.997  -0.701
   98   HD13  LEU  15          HD13      LEU  15   3.480   3.559  -2.322
   99   HD21  LEU  15          HD21      LEU  15   5.749   4.871  -3.893
  100   HD22  LEU  15          HD22      LEU  15   5.088   3.251  -4.123
  101   HD23  LEU  15          HD23      LEU  15   6.816   3.473  -3.839
  102    H    CYS  16           H        CYS  16   5.167   2.743   1.254
  103    HA   CYS  16           HA       CYS  16   4.145   4.798   2.981
  104    HB2  CYS  16           HB2      CYS  16   2.838   5.104   0.921
  105    HB3  CYS  16           HB3      CYS  16   2.368   3.408   0.977
  106    HN1  NH2  17           HN1      NH2  17   2.856   1.684   1.847
  107    HN2  NH2  17           HN2      NH2  17   2.932   0.934   3.404
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1  -6.043   5.955  -5.754
    2    H2   GLY   1           H2       GLY   1  -6.766   7.243  -4.919
    3    H3   GLY   1           H3       GLY   1  -7.413   5.680  -4.809
    4    HA2  GLY   1           HA2      GLY   1  -4.781   6.513  -3.794
    5    HA3  GLY   1           HA3      GLY   1  -6.219   6.207  -2.824
    6    H    CYS   2           H        CYS   2  -3.437   4.901  -4.011
    7    HA   CYS   2           HA       CYS   2  -4.465   2.159  -4.166
    8    HB2  CYS   2           HB2      CYS   2  -2.804   3.461  -5.766
    9    HB3  CYS   2           HB3      CYS   2  -1.635   2.899  -4.608
   10    H    CYS   3           H        CYS   3  -2.311   4.255  -2.429
   11    HA   CYS   3           HA       CYS   3  -1.027   2.253  -0.863
   12    HB2  CYS   3           HB2      CYS   3  -0.067   4.521  -1.255
   13    HB3  CYS   3           HB3      CYS   3  -1.313   5.203  -0.221
   14    H    SER   4           H        SER   4  -4.099   3.747  -0.610
   15    HA   SER   4           HA       SER   4  -4.483   3.122   2.171
   16    HB2  SER   4           HB2      SER   4  -6.394   4.071   0.053
   17    HB3  SER   4           HB3      SER   4  -6.619   4.141   1.807
   18    HG   SER   4           HG       SER   4  -4.530   5.377   1.690
   19    H    ASP   5           H        ASP   5  -4.423   1.394  -0.626
   20    HA   ASP   5           HA       ASP   5  -6.607  -0.446   0.036
   21    HB2  ASP   5           HB2      ASP   5  -6.634   0.362  -2.247
   22    HB3  ASP   5           HB3      ASP   5  -4.932  -0.019  -2.448
   23    HA   PRO   6           HA       PRO   6  -3.240  -2.678   1.992
   24    HB2  PRO   6           HB2      PRO   6  -5.231  -4.906   1.993
   25    HB3  PRO   6           HB3      PRO   6  -4.243  -4.273   3.305
   26    HG2  PRO   6           HG2      PRO   6  -6.838  -3.656   3.144
   27    HG3  PRO   6           HG3      PRO   6  -5.639  -2.481   3.707
   28    HD2  PRO   6           HD2      PRO   6  -7.029  -2.649   1.064
   29    HD3  PRO   6           HD3      PRO   6  -6.546  -1.222   2.007
   30    HA   PRO   7           HA       PRO   7  -2.907  -6.363  -1.255
   31    HB2  PRO   7           HB2      PRO   7  -4.663  -5.225  -3.382
   32    HB3  PRO   7           HB3      PRO   7  -4.367  -6.916  -2.958
   33    HG2  PRO   7           HG2      PRO   7  -6.641  -5.793  -2.259
   34    HG3  PRO   7           HG3      PRO   7  -5.778  -6.834  -1.113
   35    HD2  PRO   7           HD2      PRO   7  -5.905  -3.846  -1.214
   36    HD3  PRO   7           HD3      PRO   7  -6.019  -4.928   0.189
   37    H    CYS   8           H        CYS   8  -3.605  -3.090  -2.475
   38    HA   CYS   8           HA       CYS   8  -1.357  -3.061  -4.210
   39    HB2  CYS   8           HB2      CYS   8  -3.220  -1.523  -4.596
   40    HB3  CYS   8           HB3      CYS   8  -2.933  -0.759  -3.036
   41    H    ARG   9           H        ARG   9  -1.973  -1.647  -1.054
   42    HA   ARG   9           HA       ARG   9   0.319  -0.233  -0.453
   43    HB2  ARG   9           HB2      ARG   9  -1.840  -0.509   0.791
   44    HB3  ARG   9           HB3      ARG   9  -1.209  -2.013   1.365
   45    HG2  ARG   9           HG2      ARG   9   0.756  -0.817   2.295
   46    HG3  ARG   9           HG3      ARG   9  -0.102   0.680   1.905
   47    HD2  ARG   9           HD2      ARG   9  -0.436  -0.009   4.237
   48    HD3  ARG   9           HD3      ARG   9  -1.945   0.063   3.318
   49    HE   ARG   9           HE       ARG   9  -0.842  -2.548   3.252
   50   HH11  ARG   9          HH11      ARG   9  -2.461  -0.351   5.475
   51   HH12  ARG   9          HH12      ARG   9  -3.259  -1.585   6.336
   52   HH21  ARG   9          HH21      ARG   9  -1.890  -4.233   4.413
   53   HH22  ARG   9          HH22      ARG   9  -2.927  -3.854   5.724
   54    H    ASN  10           H        ASN  10  -0.384  -3.573   0.132
   55    HA   ASN  10           HA       ASN  10   2.020  -4.117   1.495
   56    HB2  ASN  10           HB2      ASN  10   0.015  -5.999   0.297
   57    HB3  ASN  10           HB3      ASN  10   1.476  -6.579   1.085
   58   HD21  ASN  10          HD21      ASN  10   0.499  -7.539   2.757
   59   HD22  ASN  10          HD22      ASN  10  -0.390  -6.742   4.002
   60    H    LYS  11           H        LYS  11   1.667  -3.630  -1.824
   61    HA   LYS  11           HA       LYS  11   4.080  -5.119  -2.419
   62    HB2  LYS  11           HB2      LYS  11   2.126  -3.550  -4.043
   63    HB3  LYS  11           HB3      LYS  11   3.583  -4.185  -4.716
   64    HG2  LYS  11           HG2      LYS  11   2.724  -6.488  -3.924
   65    HG3  LYS  11           HG3      LYS  11   1.184  -5.667  -3.664
   66    HD2  LYS  11           HD2      LYS  11   2.691  -5.840  -6.275
   67    HD3  LYS  11           HD3      LYS  11   1.244  -6.752  -5.861
   68    HE2  LYS  11           HE2      LYS  11   1.418  -3.740  -6.073
   69    HE3  LYS  11           HE3      LYS  11   0.768  -4.812  -7.308
   70    HZ1  LYS  11           HZ1      LYS  11  -0.361  -4.549  -4.558
   71    HZ2  LYS  11           HZ2      LYS  11  -0.970  -5.478  -5.802
   72    HZ3  LYS  11           HZ3      LYS  11  -0.965  -3.817  -5.959
   73    H    HIS  12           H        HIS  12   3.295  -2.294  -1.016
   74    HA   HIS  12           HA       HIS  12   5.526  -0.803  -2.211
   75    HB2  HIS  12           HB2      HIS  12   2.740   0.210  -1.674
   76    HB3  HIS  12           HB3      HIS  12   4.056   1.261  -2.132
   77    HD1  HIS  12           HD1      HIS  12   5.011   0.740  -4.697
   78    HD2  HIS  12           HD2      HIS  12   1.416  -0.993  -3.610
   79    HE1  HIS  12           HE1      HIS  12   3.927  -0.029  -6.843
   80    HA   PRO  13           HA       PRO  13   5.074  -0.593   2.567
   81    HB2  PRO  13           HB2      PRO  13   7.359  -2.327   2.974
   82    HB3  PRO  13           HB3      PRO  13   5.682  -2.608   3.448
   83    HG2  PRO  13           HG2      PRO  13   6.963  -4.064   1.525
   84    HG3  PRO  13           HG3      PRO  13   5.206  -3.802   1.564
   85    HD2  PRO  13           HD2      PRO  13   7.297  -2.395  -0.054
   86    HD3  PRO  13           HD3      PRO  13   5.700  -2.995  -0.558
   87    H    ASP  14           H        ASP  14   6.995   0.319   0.280
   88    HA   ASP  14           HA       ASP  14   9.329   1.320   1.629
   89    HB2  ASP  14           HB2      ASP  14   9.277   0.813  -0.793
   90    HB3  ASP  14           HB3      ASP  14   8.115   2.116  -1.021
   91    H    LEU  15           H        LEU  15   6.323   2.634   0.408
   92    HA   LEU  15           HA       LEU  15   6.859   5.012   1.939
   93    HB2  LEU  15           HB2      LEU  15   5.495   6.345   0.432
   94    HB3  LEU  15           HB3      LEU  15   6.772   5.538  -0.438
   95    HG   LEU  15           HG       LEU  15   3.885   4.607  -0.448
   96   HD11  LEU  15          HD11      LEU  15   4.034   6.826  -1.404
   97   HD12  LEU  15          HD12      LEU  15   3.760   5.618  -2.664
   98   HD13  LEU  15          HD13      LEU  15   5.367   6.306  -2.439
   99   HD21  LEU  15          HD21      LEU  15   5.404   2.818  -1.102
  100   HD22  LEU  15          HD22      LEU  15   6.252   3.908  -2.194
  101   HD23  LEU  15          HD23      LEU  15   4.587   3.445  -2.531
  102    H    CYS  16           H        CYS  16   4.725   2.360   1.514
  103    HA   CYS  16           HA       CYS  16   2.692   3.618   3.077
  104    HB2  CYS  16           HB2      CYS  16   2.848   1.004   1.617
  105    HB3  CYS  16           HB3      CYS  16   1.461   1.639   2.492
  106    HN1  NH2  17           HN1      NH2  17   3.347   3.539   5.162
  107    HN2  NH2  17           HN2      NH2  17   3.865   2.125   5.996
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1  -6.882   3.794  -4.730
    2    H2   GLY   1           H2       GLY   1  -7.554   5.261  -4.280
    3    H3   GLY   1           H3       GLY   1  -7.549   3.949  -3.196
    4    HA2  GLY   1           HA2      GLY   1  -5.176   5.375  -4.235
    5    HA3  GLY   1           HA3      GLY   1  -5.822   5.522  -2.601
    6    H    CYS   2           H        CYS   2  -3.272   4.413  -3.921
    7    HA   CYS   2           HA       CYS   2  -3.202   1.610  -3.628
    8    HB2  CYS   2           HB2      CYS   2  -1.537   3.090  -4.834
    9    HB3  CYS   2           HB3      CYS   2  -0.894   3.469  -3.275
   10    H    CYS   3           H        CYS   3  -2.076   4.152  -1.534
   11    HA   CYS   3           HA       CYS   3  -1.313   2.330   0.536
   12    HB2  CYS   3           HB2      CYS   3  -0.282   4.604   0.312
   13    HB3  CYS   3           HB3      CYS   3  -1.792   5.297   0.897
   14    H    SER   4           H        SER   4  -4.323   3.600  -0.340
   15    HA   SER   4           HA       SER   4  -5.475   2.912   2.242
   16    HB2  SER   4           HB2      SER   4  -6.167   5.055   1.219
   17    HB3  SER   4           HB3      SER   4  -6.753   4.189  -0.200
   18    HG   SER   4           HG       SER   4  -7.944   2.997   1.661
   19    H    ASP   5           H        ASP   5  -4.464   1.224  -0.280
   20    HA   ASP   5           HA       ASP   5  -6.691  -0.646  -0.132
   21    HB2  ASP   5           HB2      ASP   5  -6.706   0.527  -2.326
   22    HB3  ASP   5           HB3      ASP   5  -5.068  -0.047  -2.612
   23    HA   PRO   6           HA       PRO   6  -3.293  -2.794   1.777
   24    HB2  PRO   6           HB2      PRO   6  -5.296  -5.000   1.535
   25    HB3  PRO   6           HB3      PRO   6  -4.296  -4.521   2.903
   26    HG2  PRO   6           HG2      PRO   6  -6.871  -3.842   2.793
   27    HG3  PRO   6           HG3      PRO   6  -5.652  -2.754   3.480
   28    HD2  PRO   6           HD2      PRO   6  -7.078  -2.606   0.874
   29    HD3  PRO   6           HD3      PRO   6  -6.471  -1.297   1.909
   30    HA   PRO   7           HA       PRO   7  -2.851  -6.271  -1.627
   31    HB2  PRO   7           HB2      PRO   7  -4.643  -5.293  -3.768
   32    HB3  PRO   7           HB3      PRO   7  -4.356  -6.949  -3.222
   33    HG2  PRO   7           HG2      PRO   7  -6.633  -5.741  -2.629
   34    HG3  PRO   7           HG3      PRO   7  -5.807  -6.732  -1.411
   35    HD2  PRO   7           HD2      PRO   7  -5.828  -3.752  -1.721
   36    HD3  PRO   7           HD3      PRO   7  -6.057  -4.720  -0.252
   37    H    CYS   8           H        CYS   8  -3.205  -2.907  -2.200
   38    HA   CYS   8           HA       CYS   8  -1.150  -2.964  -4.290
   39    HB2  CYS   8           HB2      CYS   8  -3.168  -1.419  -4.526
   40    HB3  CYS   8           HB3      CYS   8  -2.571  -0.551  -3.122
   41    H    ARG   9           H        ARG   9  -1.846  -1.668  -1.121
   42    HA   ARG   9           HA       ARG   9   0.516  -0.256  -0.616
   43    HB2  ARG   9           HB2      ARG   9  -1.740  -0.363   0.574
   44    HB3  ARG   9           HB3      ARG   9  -1.071  -1.717   1.400
   45    HG2  ARG   9           HG2      ARG   9   0.732  -0.508   2.342
   46    HG3  ARG   9           HG3      ARG   9   0.316   0.933   1.418
   47    HD2  ARG   9           HD2      ARG   9  -0.441   1.108   3.745
   48    HD3  ARG   9           HD3      ARG   9  -1.783   1.128   2.608
   49    HE   ARG   9           HE       ARG   9  -1.033  -1.387   3.867
   50   HH11  ARG   9          HH11      ARG   9  -3.431   1.215   3.462
   51   HH12  ARG   9          HH12      ARG   9  -4.611   0.478   4.418
   52   HH21  ARG   9          HH21      ARG   9  -2.684  -2.398   5.212
   53   HH22  ARG   9          HH22      ARG   9  -4.172  -1.614   5.438
   54    H    ASN  10           H        ASN  10  -0.351  -3.547   0.045
   55    HA   ASN  10           HA       ASN  10   2.032  -4.062   1.505
   56    HB2  ASN  10           HB2      ASN  10   1.502  -6.376   1.661
   57    HB3  ASN  10           HB3      ASN  10  -0.031  -5.529   1.697
   58   HD21  ASN  10          HD21      ASN  10   2.019  -7.680  -0.063
   59   HD22  ASN  10          HD22      ASN  10   0.824  -8.195  -1.199
   60    H    LYS  11           H        LYS  11   1.721  -3.640  -1.827
   61    HA   LYS  11           HA       LYS  11   4.148  -5.118  -2.400
   62    HB2  LYS  11           HB2      LYS  11   2.157  -3.569  -4.039
   63    HB3  LYS  11           HB3      LYS  11   3.738  -3.917  -4.658
   64    HG2  LYS  11           HG2      LYS  11   2.134  -5.534  -5.505
   65    HG3  LYS  11           HG3      LYS  11   3.291  -6.329  -4.444
   66    HD2  LYS  11           HD2      LYS  11   1.666  -6.336  -2.645
   67    HD3  LYS  11           HD3      LYS  11   0.519  -5.455  -3.653
   68    HE2  LYS  11           HE2      LYS  11  -0.015  -7.832  -3.599
   69    HE3  LYS  11           HE3      LYS  11   0.447  -7.321  -5.216
   70    HZ1  LYS  11           HZ1      LYS  11   2.618  -8.295  -4.898
   71    HZ2  LYS  11           HZ2      LYS  11   1.452  -9.456  -4.549
   72    HZ3  LYS  11           HZ3      LYS  11   2.266  -8.700  -3.311
   73    H    HIS  12           H        HIS  12   3.228  -2.231  -1.076
   74    HA   HIS  12           HA       HIS  12   5.647  -0.831  -1.965
   75    HB2  HIS  12           HB2      HIS  12   2.855   0.311  -1.861
   76    HB3  HIS  12           HB3      HIS  12   4.277   1.253  -2.221
   77    HD1  HIS  12           HD1      HIS  12   5.555   0.350  -4.616
   78    HD2  HIS  12           HD2      HIS  12   1.604  -0.664  -3.899
   79    HE1  HIS  12           HE1      HIS  12   4.655  -0.464  -6.805
   80    HA   PRO  13           HA       PRO  13   4.443  -0.535   2.664
   81    HB2  PRO  13           HB2      PRO  13   6.387  -2.008   3.828
   82    HB3  PRO  13           HB3      PRO  13   4.875  -2.717   3.245
   83    HG2  PRO  13           HG2      PRO  13   7.570  -2.690   1.972
   84    HG3  PRO  13           HG3      PRO  13   6.384  -4.002   2.067
   85    HD2  PRO  13           HD2      PRO  13   6.725  -2.440  -0.149
   86    HD3  PRO  13           HD3      PRO  13   5.192  -3.224   0.272
   87    H    ASP  14           H        ASP  14   7.462  -0.260   0.962
   88    HA   ASP  14           HA       ASP  14   8.617   1.459   2.997
   89    HB2  ASP  14           HB2      ASP  14  10.124  -0.064   1.853
   90    HB3  ASP  14           HB3      ASP  14   9.663   0.584   0.291
   91    H    LEU  15           H        LEU  15   6.555   1.757   0.369
   92    HA   LEU  15           HA       LEU  15   7.267   4.419  -0.310
   93    HB2  LEU  15           HB2      LEU  15   6.529   2.929  -2.048
   94    HB3  LEU  15           HB3      LEU  15   5.132   2.485  -1.082
   95    HG   LEU  15           HG       LEU  15   4.299   4.734  -1.303
   96   HD11  LEU  15          HD11      LEU  15   6.481   5.042  -3.356
   97   HD12  LEU  15          HD12      LEU  15   6.347   5.941  -1.838
   98   HD13  LEU  15          HD13      LEU  15   5.156   6.179  -3.126
   99   HD21  LEU  15          HD21      LEU  15   4.698   3.180  -3.845
  100   HD22  LEU  15          HD22      LEU  15   3.560   4.510  -3.679
  101   HD23  LEU  15          HD23      LEU  15   3.356   3.059  -2.699
  102    H    CYS  16           H        CYS  16   4.588   2.573   1.139
  103    HA   CYS  16           HA       CYS  16   4.033   4.797   2.882
  104    HB2  CYS  16           HB2      CYS  16   2.567   5.058   0.830
  105    HB3  CYS  16           HB3      CYS  16   1.815   3.529   1.270
  106    HN1  NH2  17           HN1      NH2  17   2.624   1.650   1.921
  107    HN2  NH2  17           HN2      NH2  17   2.674   0.991   3.514
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1  -6.316   7.453  -4.735
    2    H2   GLY   1           H2       GLY   1  -7.022   5.935  -4.464
    3    H3   GLY   1           H3       GLY   1  -5.825   6.098  -5.624
    4    HA2  GLY   1           HA2      GLY   1  -4.209   6.597  -3.940
    5    HA3  GLY   1           HA3      GLY   1  -5.476   6.485  -2.718
    6    H    CYS   2           H        CYS   2  -3.035   4.821  -4.223
    7    HA   CYS   2           HA       CYS   2  -4.324   2.239  -4.254
    8    HB2  CYS   2           HB2      CYS   2  -2.368   3.346  -5.692
    9    HB3  CYS   2           HB3      CYS   2  -1.406   2.574  -4.468
   10    H    CYS   3           H        CYS   3  -2.178   4.122  -2.316
   11    HA   CYS   3           HA       CYS   3  -1.348   2.041  -0.548
   12    HB2  CYS   3           HB2      CYS   3  -0.070   4.155  -0.801
   13    HB3  CYS   3           HB3      CYS   3  -1.385   5.031  -0.028
   14    H    SER   4           H        SER   4  -4.304   3.636  -0.890
   15    HA   SER   4           HA       SER   4  -5.159   3.346   1.833
   16    HB2  SER   4           HB2      SER   4  -6.679   3.999  -0.693
   17    HB3  SER   4           HB3      SER   4  -7.216   4.271   0.965
   18    HG   SER   4           HG       SER   4  -6.462   6.149   0.411
   19    H    ASP   5           H        ASP   5  -4.650   1.366  -0.781
   20    HA   ASP   5           HA       ASP   5  -6.776  -0.513  -0.066
   21    HB2  ASP   5           HB2      ASP   5  -6.875   0.098  -2.406
   22    HB3  ASP   5           HB3      ASP   5  -5.150  -0.191  -2.599
   23    HA   PRO   6           HA       PRO   6  -3.322  -2.476   2.070
   24    HB2  PRO   6           HB2      PRO   6  -5.324  -4.683   2.264
   25    HB3  PRO   6           HB3      PRO   6  -4.339  -3.933   3.519
   26    HG2  PRO   6           HG2      PRO   6  -6.928  -3.352   3.319
   27    HG3  PRO   6           HG3      PRO   6  -5.737  -2.118   3.758
   28    HD2  PRO   6           HD2      PRO   6  -7.140  -2.549   1.153
   29    HD3  PRO   6           HD3      PRO   6  -6.670  -1.034   1.954
   30    HA   PRO   7           HA       PRO   7  -2.999  -6.382  -0.867
   31    HB2  PRO   7           HB2      PRO   7  -4.672  -5.330  -3.103
   32    HB3  PRO   7           HB3      PRO   7  -4.412  -7.004  -2.595
   33    HG2  PRO   7           HG2      PRO   7  -6.685  -5.807  -2.008
   34    HG3  PRO   7           HG3      PRO   7  -5.876  -6.820  -0.796
   35    HD2  PRO   7           HD2      PRO   7  -5.969  -3.841  -1.014
   36    HD3  PRO   7           HD3      PRO   7  -6.098  -4.870   0.426
   37    H    CYS   8           H        CYS   8  -3.665  -3.218  -2.417
   38    HA   CYS   8           HA       CYS   8  -1.378  -3.311  -4.080
   39    HB2  CYS   8           HB2      CYS   8  -3.219  -1.804  -4.634
   40    HB3  CYS   8           HB3      CYS   8  -2.975  -0.915  -3.133
   41    H    ARG   9           H        ARG   9  -2.000  -1.770  -0.972
   42    HA   ARG   9           HA       ARG   9   0.360  -0.380  -0.476
   43    HB2  ARG   9           HB2      ARG   9  -1.881  -0.705   0.867
   44    HB3  ARG   9           HB3      ARG   9  -1.014  -1.994   1.630
   45    HG2  ARG   9           HG2      ARG   9  -0.004   0.828   1.615
   46    HG3  ARG   9           HG3      ARG   9  -1.003   0.180   2.917
   47    HD2  ARG   9           HD2      ARG   9   1.756  -0.734   2.072
   48    HD3  ARG   9           HD3      ARG   9   1.352   0.148   3.539
   49    HE   ARG   9           HE       ARG   9  -0.119  -2.194   3.565
   50   HH11  ARG   9          HH11      ARG   9   3.277  -1.193   3.800
   51   HH12  ARG   9          HH12      ARG   9   3.792  -2.643   4.531
   52   HH21  ARG   9          HH21      ARG   9   0.584  -4.156   4.588
   53   HH22  ARG   9          HH22      ARG   9   2.211  -4.380   5.015
   54    H    ASN  10           H        ASN  10  -0.428  -3.693   0.071
   55    HA   ASN  10           HA       ASN  10   1.893  -4.625   1.287
   56    HB2  ASN  10           HB2      ASN  10   0.116  -6.098  -0.647
   57    HB3  ASN  10           HB3      ASN  10   1.470  -6.868   0.161
   58   HD21  ASN  10          HD21      ASN  10   1.110  -5.497   2.670
   59   HD22  ASN  10          HD22      ASN  10  -0.295  -6.143   3.402
   60    H    LYS  11           H        LYS  11   1.618  -3.703  -2.028
   61    HA   LYS  11           HA       LYS  11   4.139  -4.934  -2.722
   62    HB2  LYS  11           HB2      LYS  11   2.063  -3.394  -4.266
   63    HB3  LYS  11           HB3      LYS  11   3.623  -3.710  -4.902
   64    HG2  LYS  11           HG2      LYS  11   2.059  -5.379  -5.755
   65    HG3  LYS  11           HG3      LYS  11   3.239  -6.164  -4.710
   66    HD2  LYS  11           HD2      LYS  11   1.606  -6.134  -2.879
   67    HD3  LYS  11           HD3      LYS  11   0.435  -5.362  -3.943
   68    HE2  LYS  11           HE2      LYS  11   0.532  -7.332  -5.425
   69    HE3  LYS  11           HE3      LYS  11   1.646  -8.099  -4.294
   70    HZ1  LYS  11           HZ1      LYS  11  -0.689  -8.790  -3.996
   71    HZ2  LYS  11           HZ2      LYS  11  -1.093  -7.208  -3.614
   72    HZ3  LYS  11           HZ3      LYS  11  -0.034  -8.083  -2.613
   73    H    HIS  12           H        HIS  12   3.140  -2.226  -1.165
   74    HA   HIS  12           HA       HIS  12   5.392  -0.660  -2.184
   75    HB2  HIS  12           HB2      HIS  12   2.641   0.403  -1.516
   76    HB3  HIS  12           HB3      HIS  12   4.016   1.398  -1.955
   77    HD1  HIS  12           HD1      HIS  12   4.801   1.188  -4.526
   78    HD2  HIS  12           HD2      HIS  12   1.292  -0.761  -3.513
   79    HE1  HIS  12           HE1      HIS  12   3.700   0.527  -6.709
   80    HA   PRO  13           HA       PRO  13   5.288  -1.070   2.416
   81    HB2  PRO  13           HB2      PRO  13   7.896  -2.247   2.376
   82    HB3  PRO  13           HB3      PRO  13   6.361  -3.012   2.795
   83    HG2  PRO  13           HG2      PRO  13   7.826  -3.669   0.569
   84    HG3  PRO  13           HG3      PRO  13   6.067  -3.867   0.694
   85    HD2  PRO  13           HD2      PRO  13   7.637  -1.654  -0.576
   86    HD3  PRO  13           HD3      PRO  13   6.199  -2.512  -1.185
   87    H    ASP  14           H        ASP  14   7.539   0.337   0.212
   88    HA   ASP  14           HA       ASP  14   9.243   1.383   2.257
   89    HB2  ASP  14           HB2      ASP  14  10.243   1.038   0.099
   90    HB3  ASP  14           HB3      ASP  14   9.082   2.126  -0.661
   91    H    LEU  15           H        LEU  15   6.779   2.880   0.190
   92    HA   LEU  15           HA       LEU  15   7.098   5.215   1.813
   93    HB2  LEU  15           HB2      LEU  15   5.694   6.458   0.336
   94    HB3  LEU  15           HB3      LEU  15   6.788   5.513  -0.632
   95    HG   LEU  15           HG       LEU  15   3.874   4.833  -0.177
   96   HD11  LEU  15          HD11      LEU  15   3.551   5.604  -2.479
   97   HD12  LEU  15          HD12      LEU  15   5.227   6.153  -2.519
   98   HD13  LEU  15          HD13      LEU  15   4.080   6.896  -1.407
   99   HD21  LEU  15          HD21      LEU  15   5.173   2.873  -0.739
  100   HD22  LEU  15          HD22      LEU  15   5.919   3.735  -2.085
  101   HD23  LEU  15          HD23      LEU  15   4.193   3.371  -2.125
  102    H    CYS  16           H        CYS  16   5.093   2.452   1.801
  103    HA   CYS  16           HA       CYS  16   3.367   3.715   3.716
  104    HB2  CYS  16           HB2      CYS  16   2.846   1.622   1.639
  105    HB3  CYS  16           HB3      CYS  16   1.735   2.114   2.902
  106    HN1  NH2  17           HN1      NH2  17   4.574   2.985   5.480
  107    HN2  NH2  17           HN2      NH2  17   4.817   1.317   5.853
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1  -7.871   5.407  -1.254
    2    H2   GLY   1           H2       GLY   1  -7.464   7.018  -0.940
    3    H3   GLY   1           H3       GLY   1  -6.634   5.763  -0.170
    4    HA2  GLY   1           HA2      GLY   1  -6.608   6.275  -3.086
    5    HA3  GLY   1           HA3      GLY   1  -5.307   6.674  -1.978
    6    H    CYS   2           H        CYS   2  -3.963   5.246  -3.281
    7    HA   CYS   2           HA       CYS   2  -4.695   2.474  -3.455
    8    HB2  CYS   2           HB2      CYS   2  -3.193   4.151  -4.918
    9    HB3  CYS   2           HB3      CYS   2  -1.949   3.423  -3.943
   10    H    CYS   3           H        CYS   3  -2.770   4.572  -1.535
   11    HA   CYS   3           HA       CYS   3  -1.360   2.551  -0.076
   12    HB2  CYS   3           HB2      CYS   3  -0.565   4.928  -0.333
   13    HB3  CYS   3           HB3      CYS   3  -1.872   5.455   0.703
   14    H    SER   4           H        SER   4  -4.587   3.514  -0.090
   15    HA   SER   4           HA       SER   4  -5.179   2.721   2.630
   16    HB2  SER   4           HB2      SER   4  -7.062   3.442   0.404
   17    HB3  SER   4           HB3      SER   4  -7.306   3.550   2.148
   18    HG   SER   4           HG       SER   4  -5.451   5.073   2.016
   19    H    ASP   5           H        ASP   5  -4.671   1.270  -0.412
   20    HA   ASP   5           HA       ASP   5  -6.700  -0.759   0.085
   21    HB2  ASP   5           HB2      ASP   5  -7.161   0.524  -1.938
   22    HB3  ASP   5           HB3      ASP   5  -5.543   0.195  -2.538
   23    HA   PRO   6           HA       PRO   6  -3.345  -3.343   1.278
   24    HB2  PRO   6           HB2      PRO   6  -4.656  -5.733   0.402
   25    HB3  PRO   6           HB3      PRO   6  -4.506  -5.097   2.040
   26    HG2  PRO   6           HG2      PRO   6  -6.748  -4.862   0.136
   27    HG3  PRO   6           HG3      PRO   6  -6.752  -4.774   1.899
   28    HD2  PRO   6           HD2      PRO   6  -7.113  -2.620   0.326
   29    HD3  PRO   6           HD3      PRO   6  -6.315  -2.501   1.908
   30    HA   PRO   7           HA       PRO   7  -2.345  -5.813  -2.957
   31    HB2  PRO   7           HB2      PRO   7  -3.753  -3.768  -4.627
   32    HB3  PRO   7           HB3      PRO   7  -3.385  -5.454  -5.011
   33    HG2  PRO   7           HG2      PRO   7  -5.802  -4.866  -4.263
   34    HG3  PRO   7           HG3      PRO   7  -4.999  -6.261  -3.523
   35    HD2  PRO   7           HD2      PRO   7  -5.467  -3.536  -2.381
   36    HD3  PRO   7           HD3      PRO   7  -5.571  -5.125  -1.593
   37    H    CYS   8           H        CYS   8  -2.782  -2.267  -2.988
   38    HA   CYS   8           HA       CYS   8  -0.067  -2.160  -3.940
   39    HB2  CYS   8           HB2      CYS   8  -0.621   0.211  -4.626
   40    HB3  CYS   8           HB3      CYS   8  -1.389  -1.097  -5.514
   41    H    ARG   9           H        ARG   9  -1.094  -2.402  -1.148
   42    HA   ARG   9           HA       ARG   9   0.557  -0.245   0.014
   43    HB2  ARG   9           HB2      ARG   9  -1.847  -0.311   0.662
   44    HB3  ARG   9           HB3      ARG   9  -1.601  -1.927   1.218
   45    HG2  ARG   9           HG2      ARG   9   0.075  -1.274   2.782
   46    HG3  ARG   9           HG3      ARG   9  -0.124   0.407   2.315
   47    HD2  ARG   9           HD2      ARG   9  -2.383   0.444   3.178
   48    HD3  ARG   9           HD3      ARG   9  -2.334  -1.292   3.504
   49    HE   ARG   9           HE       ARG   9  -0.210  -0.221   4.840
   50   HH11  ARG   9          HH11      ARG   9  -3.700   0.316   5.028
   51   HH12  ARG   9          HH12      ARG   9  -3.683   0.695   6.687
   52   HH21  ARG   9          HH21      ARG   9  -0.186   0.253   7.062
   53   HH22  ARG   9          HH22      ARG   9  -1.613   0.644   7.899
   54    H    ASN  10           H        ASN  10  -0.568  -3.485   0.523
   55    HA   ASN  10           HA       ASN  10   1.343  -4.279   2.435
   56    HB2  ASN  10           HB2      ASN  10  -0.826  -5.363   2.271
   57    HB3  ASN  10           HB3      ASN  10  -0.451  -5.922   0.651
   58   HD21  ASN  10          HD21      ASN  10   0.258  -6.300   4.046
   59   HD22  ASN  10          HD22      ASN  10   0.928  -7.887   3.910
   60    H    LYS  11           H        LYS  11   1.425  -4.284  -0.987
   61    HA   LYS  11           HA       LYS  11   3.836  -5.889  -1.069
   62    HB2  LYS  11           HB2      LYS  11   1.914  -4.836  -3.129
   63    HB3  LYS  11           HB3      LYS  11   3.510  -5.317  -3.570
   64    HG2  LYS  11           HG2      LYS  11   1.870  -7.143  -3.937
   65    HG3  LYS  11           HG3      LYS  11   3.152  -7.589  -2.820
   66    HD2  LYS  11           HD2      LYS  11   1.579  -7.107  -0.939
   67    HD3  LYS  11           HD3      LYS  11   0.312  -6.836  -2.136
   68    HE2  LYS  11           HE2      LYS  11   0.491  -9.103  -2.924
   69    HE3  LYS  11           HE3      LYS  11   1.896  -9.392  -1.902
   70    HZ1  LYS  11           HZ1      LYS  11  -0.873  -8.872  -0.981
   71    HZ2  LYS  11           HZ2      LYS  11   0.453  -9.050   0.042
   72    HZ3  LYS  11           HZ3      LYS  11  -0.063 -10.345  -0.905
   73    H    HIS  12           H        HIS  12   3.221  -2.811  -0.278
   74    HA   HIS  12           HA       HIS  12   5.614  -1.769  -1.606
   75    HB2  HIS  12           HB2      HIS  12   2.946  -0.393  -1.469
   76    HB3  HIS  12           HB3      HIS  12   4.369   0.395  -2.078
   77    HD1  HIS  12           HD1      HIS  12   5.280  -0.731  -4.471
   78    HD2  HIS  12           HD2      HIS  12   1.598  -1.879  -3.017
   79    HE1  HIS  12           HE1      HIS  12   4.136  -1.945  -6.384
   80    HA   PRO  13           HA       PRO  13   5.280  -0.808   2.863
   81    HB2  PRO  13           HB2      PRO  13   7.671  -1.762   3.670
   82    HB3  PRO  13           HB3      PRO  13   6.264  -2.808   3.453
   83    HG2  PRO  13           HG2      PRO  13   8.636  -2.451   1.699
   84    HG3  PRO  13           HG3      PRO  13   7.676  -3.903   2.013
   85    HD2  PRO  13           HD2      PRO  13   7.464  -2.261  -0.234
   86    HD3  PRO  13           HD3      PRO  13   6.252  -3.440   0.297
   87    H    ASP  14           H        ASP  14   7.688  -0.030   0.508
   88    HA   ASP  14           HA       ASP  14   8.999   1.828   2.267
   89    HB2  ASP  14           HB2      ASP  14  10.322   0.675   0.573
   90    HB3  ASP  14           HB3      ASP  14   9.368   1.406  -0.702
   91    H    LEU  15           H        LEU  15   6.796   2.098  -0.505
   92    HA   LEU  15           HA       LEU  15   6.831   4.926  -0.126
   93    HB2  LEU  15           HB2      LEU  15   5.421   5.092  -2.154
   94    HB3  LEU  15           HB3      LEU  15   6.919   4.242  -2.418
   95    HG   LEU  15           HG       LEU  15   5.473   2.098  -2.170
   96   HD11  LEU  15          HD11      LEU  15   3.303   4.071  -2.818
   97   HD12  LEU  15          HD12      LEU  15   3.459   3.120  -1.340
   98   HD13  LEU  15          HD13      LEU  15   3.162   2.312  -2.880
   99   HD21  LEU  15          HD21      LEU  15   5.213   3.887  -4.576
  100   HD22  LEU  15          HD22      LEU  15   4.906   2.150  -4.551
  101   HD23  LEU  15          HD23      LEU  15   6.531   2.761  -4.240
  102    H    CYS  16           H        CYS  16   4.979   2.347   1.006
  103    HA   CYS  16           HA       CYS  16   3.016   4.247   1.973
  104    HB2  CYS  16           HB2      CYS  16   1.932   3.128   0.097
  105    HB3  CYS  16           HB3      CYS  16   2.360   1.551   0.752
  106    HN1  NH2  17           HN1      NH2  17   3.396   0.738   2.299
  107    HN2  NH2  17           HN2      NH2  17   3.671   0.788   4.007
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1  -6.967   7.006  -2.742
    2    H2   GLY   1           H2       GLY   1  -7.193   5.458  -2.109
    3    H3   GLY   1           H3       GLY   1  -7.196   5.687  -3.784
    4    HA2  GLY   1           HA2      GLY   1  -4.889   6.284  -3.736
    5    HA3  GLY   1           HA3      GLY   1  -4.903   6.057  -1.988
    6    H    CYS   2           H        CYS   2  -3.521   4.656  -4.297
    7    HA   CYS   2           HA       CYS   2  -4.668   1.998  -4.302
    8    HB2  CYS   2           HB2      CYS   2  -3.190   3.133  -6.148
    9    HB3  CYS   2           HB3      CYS   2  -1.857   2.678  -5.121
   10    H    CYS   3           H        CYS   3  -1.839   3.588  -3.033
   11    HA   CYS   3           HA       CYS   3  -0.791   1.345  -1.627
   12    HB2  CYS   3           HB2      CYS   3   0.497   3.380  -2.459
   13    HB3  CYS   3           HB3      CYS   3  -0.182   4.260  -1.098
   14    H    SER   4           H        SER   4  -3.302   3.518  -0.985
   15    HA   SER   4           HA       SER   4  -3.177   3.311   1.868
   16    HB2  SER   4           HB2      SER   4  -5.310   4.420   0.076
   17    HB3  SER   4           HB3      SER   4  -5.009   4.802   1.778
   18    HG   SER   4           HG       SER   4  -2.836   5.429   0.927
   19    H    ASP   5           H        ASP   5  -4.141   1.308  -0.624
   20    HA   ASP   5           HA       ASP   5  -6.240   0.042   0.993
   21    HB2  ASP   5           HB2      ASP   5  -6.994   0.885  -1.235
   22    HB3  ASP   5           HB3      ASP   5  -5.798  -0.151  -2.001
   23    HA   PRO   6           HA       PRO   6  -3.170  -2.858   2.159
   24    HB2  PRO   6           HB2      PRO   6  -5.430  -4.813   2.048
   25    HB3  PRO   6           HB3      PRO   6  -4.211  -4.541   3.287
   26    HG2  PRO   6           HG2      PRO   6  -6.667  -3.528   3.530
   27    HG3  PRO   6           HG3      PRO   6  -5.230  -2.682   4.123
   28    HD2  PRO   6           HD2      PRO   6  -6.939  -2.067   1.778
   29    HD3  PRO   6           HD3      PRO   6  -5.933  -0.991   2.768
   30    HA   PRO   7           HA       PRO   7  -3.258  -6.318  -1.299
   31    HB2  PRO   7           HB2      PRO   7  -5.010  -5.017  -3.322
   32    HB3  PRO   7           HB3      PRO   7  -4.842  -6.728  -2.922
   33    HG2  PRO   7           HG2      PRO   7  -6.979  -5.402  -2.124
   34    HG3  PRO   7           HG3      PRO   7  -6.186  -6.548  -1.026
   35    HD2  PRO   7           HD2      PRO   7  -6.022  -3.559  -1.081
   36    HD3  PRO   7           HD3      PRO   7  -6.202  -4.645   0.309
   37    H    CYS   8           H        CYS   8  -3.536  -2.908  -2.096
   38    HA   CYS   8           HA       CYS   8  -1.386  -3.176  -4.040
   39    HB2  CYS   8           HB2      CYS   8  -3.326  -1.748  -4.596
   40    HB3  CYS   8           HB3      CYS   8  -2.966  -0.731  -3.209
   41    H    ARG   9           H        ARG   9  -2.087  -1.851  -0.902
   42    HA   ARG   9           HA       ARG   9   0.231  -0.378  -0.263
   43    HB2  ARG   9           HB2      ARG   9  -1.945  -0.713   1.017
   44    HB3  ARG   9           HB3      ARG   9  -1.269  -2.220   1.537
   45    HG2  ARG   9           HG2      ARG   9   0.566  -1.193   2.643
   46    HG3  ARG   9           HG3      ARG   9   0.084   0.389   2.030
   47    HD2  ARG   9           HD2      ARG   9  -0.595   0.132   4.363
   48    HD3  ARG   9           HD3      ARG   9  -2.007   0.259   3.312
   49    HE   ARG   9           HE       ARG   9  -1.211  -2.434   3.839
   50   HH11  ARG   9          HH11      ARG   9  -3.139   0.269   5.088
   51   HH12  ARG   9          HH12      ARG   9  -4.072  -0.698   6.123
   52   HH21  ARG   9          HH21      ARG   9  -2.536  -3.755   5.265
   53   HH22  ARG   9          HH22      ARG   9  -3.750  -3.028   6.203
   54    H    ASN  10           H        ASN  10  -0.524  -3.690  -0.049
   55    HA   ASN  10           HA       ASN  10   1.708  -4.773   1.220
   56    HB2  ASN  10           HB2      ASN  10  -0.299  -6.088   0.721
   57    HB3  ASN  10           HB3      ASN  10   0.063  -6.009  -0.996
   58   HD21  ASN  10          HD21      ASN  10   0.881  -7.433   2.031
   59   HD22  ASN  10          HD22      ASN  10   1.890  -8.685   1.412
   60    H    LYS  11           H        LYS  11   1.413  -3.647  -2.028
   61    HA   LYS  11           HA       LYS  11   3.912  -4.792  -2.885
   62    HB2  LYS  11           HB2      LYS  11   1.913  -2.965  -4.198
   63    HB3  LYS  11           HB3      LYS  11   3.353  -3.575  -4.943
   64    HG2  LYS  11           HG2      LYS  11   2.528  -5.864  -4.793
   65    HG3  LYS  11           HG3      LYS  11   1.100  -5.302  -3.923
   66    HD2  LYS  11           HD2      LYS  11   0.609  -5.726  -6.297
   67    HD3  LYS  11           HD3      LYS  11   0.388  -4.028  -5.881
   68    HE2  LYS  11           HE2      LYS  11   2.589  -3.514  -6.844
   69    HE3  LYS  11           HE3      LYS  11   2.808  -5.218  -7.239
   70    HZ1  LYS  11           HZ1      LYS  11   0.966  -5.084  -8.763
   71    HZ2  LYS  11           HZ2      LYS  11   2.071  -3.871  -9.118
   72    HZ3  LYS  11           HZ3      LYS  11   0.644  -3.489  -8.301
   73    H    HIS  12           H        HIS  12   3.053  -2.191  -0.987
   74    HA   HIS  12           HA       HIS  12   5.278  -0.597  -2.031
   75    HB2  HIS  12           HB2      HIS  12   2.523   0.456  -1.469
   76    HB3  HIS  12           HB3      HIS  12   3.878   1.507  -1.763
   77    HD1  HIS  12           HD1      HIS  12   4.876   1.306  -4.360
   78    HD2  HIS  12           HD2      HIS  12   1.241  -0.513  -3.547
   79    HE1  HIS  12           HE1      HIS  12   3.853   0.779  -6.601
   80    HA   PRO  13           HA       PRO  13   5.312  -0.728   2.627
   81    HB2  PRO  13           HB2      PRO  13   7.653  -1.994   3.015
   82    HB3  PRO  13           HB3      PRO  13   6.161  -2.890   2.707
   83    HG2  PRO  13           HG2      PRO  13   8.390  -2.233   0.830
   84    HG3  PRO  13           HG3      PRO  13   7.476  -3.741   0.996
   85    HD2  PRO  13           HD2      PRO  13   6.986  -1.844  -0.932
   86    HD3  PRO  13           HD3      PRO  13   5.770  -2.989  -0.338
   87    H    ASP  14           H        ASP  14   7.188   0.420   0.122
   88    HA   ASP  14           HA       ASP  14   9.295   1.781   1.402
   89    HB2  ASP  14           HB2      ASP  14   9.253   1.468  -1.018
   90    HB3  ASP  14           HB3      ASP  14   7.829   2.492  -1.147
   91    H    LEU  15           H        LEU  15   6.017   2.808   0.632
   92    HA   LEU  15           HA       LEU  15   6.528   5.100   2.282
   93    HB2  LEU  15           HB2      LEU  15   4.740   6.359   1.153
   94    HB3  LEU  15           HB3      LEU  15   6.033   5.902   0.078
   95    HG   LEU  15           HG       LEU  15   3.413   4.395   0.179
   96   HD11  LEU  15          HD11      LEU  15   2.961   6.733  -0.320
   97   HD12  LEU  15          HD12      LEU  15   2.739   5.733  -1.755
   98   HD13  LEU  15          HD13      LEU  15   4.194   6.717  -1.580
   99   HD21  LEU  15          HD21      LEU  15   4.052   3.741  -2.099
  100   HD22  LEU  15          HD22      LEU  15   5.265   3.221  -0.937
  101   HD23  LEU  15          HD23      LEU  15   5.556   4.643  -1.940
  102    H    CYS  16           H        CYS  16   4.086   2.541   1.643
  103    HA   CYS  16           HA       CYS  16   2.724   3.438   4.001
  104    HB2  CYS  16           HB2      CYS  16   2.004   1.400   1.918
  105    HB3  CYS  16           HB3      CYS  16   0.976   2.030   3.196
  106    HN1  NH2  17           HN1      NH2  17   3.223   0.207   2.594
  107    HN2  NH2  17           HN2      NH2  17   3.844  -0.506   4.033
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1  -7.222   4.527  -4.078
    2    H2   GLY   1           H2       GLY   1  -6.345   4.396  -5.510
    3    H3   GLY   1           H3       GLY   1  -6.935   5.915  -5.006
    4    HA2  GLY   1           HA2      GLY   1  -4.608   5.757  -4.544
    5    HA3  GLY   1           HA3      GLY   1  -5.532   5.778  -3.045
    6    H    CYS   2           H        CYS   2  -2.992   4.432  -4.402
    7    HA   CYS   2           HA       CYS   2  -3.296   1.637  -4.123
    8    HB2  CYS   2           HB2      CYS   2  -1.534   2.854  -5.417
    9    HB3  CYS   2           HB3      CYS   2  -0.811   3.255  -3.897
   10    H    CYS   3           H        CYS   3  -1.768   4.029  -2.115
   11    HA   CYS   3           HA       CYS   3  -1.009   2.159  -0.103
   12    HB2  CYS   3           HB2      CYS   3   0.105   4.404  -0.537
   13    HB3  CYS   3           HB3      CYS   3  -1.226   5.142   0.344
   14    H    SER   4           H        SER   4  -3.961   3.686  -0.742
   15    HA   SER   4           HA       SER   4  -4.989   3.376   1.953
   16    HB2  SER   4           HB2      SER   4  -5.633   5.304   0.487
   17    HB3  SER   4           HB3      SER   4  -6.406   4.170  -0.613
   18    HG   SER   4           HG       SER   4  -7.857   5.162   0.815
   19    H    ASP   5           H        ASP   5  -4.429   1.425  -0.689
   20    HA   ASP   5           HA       ASP   5  -6.635  -0.409  -0.073
   21    HB2  ASP   5           HB2      ASP   5  -6.666   0.347  -2.393
   22    HB3  ASP   5           HB3      ASP   5  -4.973  -0.088  -2.583
   23    HA   PRO   6           HA       PRO   6  -3.263  -2.503   1.995
   24    HB2  PRO   6           HB2      PRO   6  -5.239  -4.732   2.113
   25    HB3  PRO   6           HB3      PRO   6  -4.267  -4.008   3.395
   26    HG2  PRO   6           HG2      PRO   6  -6.861  -3.443   3.176
   27    HG3  PRO   6           HG3      PRO   6  -5.685  -2.211   3.668
   28    HD2  PRO   6           HD2      PRO   6  -7.029  -2.599   1.024
   29    HD3  PRO   6           HD3      PRO   6  -6.614  -1.093   1.868
   30    HA   PRO   7           HA       PRO   7  -2.958  -6.327  -1.103
   31    HB2  PRO   7           HB2      PRO   7  -4.618  -5.178  -3.287
   32    HB3  PRO   7           HB3      PRO   7  -4.389  -6.870  -2.823
   33    HG2  PRO   7           HG2      PRO   7  -6.636  -5.621  -2.232
   34    HG3  PRO   7           HG3      PRO   7  -5.880  -6.717  -1.059
   35    HD2  PRO   7           HD2      PRO   7  -5.902  -3.733  -1.132
   36    HD3  PRO   7           HD3      PRO   7  -6.043  -4.827   0.257
   37    H    CYS   8           H        CYS   8  -3.586  -3.090  -2.475
   38    HA   CYS   8           HA       CYS   8  -1.370  -3.150  -4.259
   39    HB2  CYS   8           HB2      CYS   8  -3.463  -1.621  -4.361
   40    HB3  CYS   8           HB3      CYS   8  -2.656  -0.642  -3.151
   41    H    ARG   9           H        ARG   9  -1.927  -1.672  -1.082
   42    HA   ARG   9           HA       ARG   9   0.493  -0.364  -0.577
   43    HB2  ARG   9           HB2      ARG   9  -1.617  -0.399   0.779
   44    HB3  ARG   9           HB3      ARG   9  -1.126  -1.959   1.348
   45    HG2  ARG   9           HG2      ARG   9   1.003  -1.031   2.149
   46    HG3  ARG   9           HG3      ARG   9   0.390   0.575   1.777
   47    HD2  ARG   9           HD2      ARG   9  -0.917  -1.378   3.674
   48    HD3  ARG   9           HD3      ARG   9   0.106  -0.031   4.165
   49    HE   ARG   9           HE       ARG   9  -1.688   1.296   2.830
   50   HH11  ARG   9          HH11      ARG   9  -2.326  -1.479   4.926
   51   HH12  ARG   9          HH12      ARG   9  -3.804  -0.857   5.496
   52   HH21  ARG   9          HH21      ARG   9  -3.653   2.111   3.597
   53   HH22  ARG   9          HH22      ARG   9  -4.603   1.254   4.729
   54    H    ASN  10           H        ASN  10  -0.482  -3.582  -0.057
   55    HA   ASN  10           HA       ASN  10   1.666  -4.662   1.343
   56    HB2  ASN  10           HB2      ASN  10  -0.438  -5.901   0.946
   57    HB3  ASN  10           HB3      ASN  10  -0.003  -6.065  -0.742
   58   HD21  ASN  10          HD21      ASN  10   0.743  -7.065   2.502
   59   HD22  ASN  10          HD22      ASN  10   1.649  -8.465   2.063
   60    H    LYS  11           H        LYS  11   1.516  -3.862  -2.006
   61    HA   LYS  11           HA       LYS  11   3.981  -5.237  -2.613
   62    HB2  LYS  11           HB2      LYS  11   2.045  -3.611  -4.246
   63    HB3  LYS  11           HB3      LYS  11   3.502  -4.319  -4.859
   64    HG2  LYS  11           HG2      LYS  11   2.710  -6.558  -4.345
   65    HG3  LYS  11           HG3      LYS  11   1.262  -5.879  -3.604
   66    HD2  LYS  11           HD2      LYS  11   0.509  -5.030  -5.717
   67    HD3  LYS  11           HD3      LYS  11   2.019  -5.502  -6.496
   68    HE2  LYS  11           HE2      LYS  11   0.023  -7.396  -5.246
   69    HE3  LYS  11           HE3      LYS  11   0.188  -7.083  -6.970
   70    HZ1  LYS  11           HZ1      LYS  11   2.420  -7.966  -6.904
   71    HZ2  LYS  11           HZ2      LYS  11   1.346  -9.106  -6.322
   72    HZ3  LYS  11           HZ3      LYS  11   2.332  -8.263  -5.249
   73    H    HIS  12           H        HIS  12   3.211  -2.445  -1.074
   74    HA   HIS  12           HA       HIS  12   5.530  -1.018  -2.124
   75    HB2  HIS  12           HB2      HIS  12   2.782   0.196  -1.880
   76    HB3  HIS  12           HB3      HIS  12   4.224   1.110  -2.252
   77    HD1  HIS  12           HD1      HIS  12   5.327   0.473  -4.684
   78    HD2  HIS  12           HD2      HIS  12   1.551  -0.991  -3.862
   79    HE1  HIS  12           HE1      HIS  12   4.365  -0.257  -6.909
   80    HA   PRO  13           HA       PRO  13   5.019  -0.683   2.527
   81    HB2  PRO  13           HB2      PRO  13   7.639  -1.961   2.766
   82    HB3  PRO  13           HB3      PRO  13   6.089  -2.503   3.415
   83    HG2  PRO  13           HG2      PRO  13   7.349  -3.831   1.420
   84    HG3  PRO  13           HG3      PRO  13   5.579  -3.749   1.567
   85    HD2  PRO  13           HD2      PRO  13   7.401  -2.131  -0.177
   86    HD3  PRO  13           HD3      PRO  13   5.883  -2.959  -0.599
   87    H    ASP  14           H        ASP  14   7.082   0.154   0.127
   88    HA   ASP  14           HA       ASP  14   9.188   1.616   1.218
   89    HB2  ASP  14           HB2      ASP  14   9.157   1.112  -1.115
   90    HB3  ASP  14           HB3      ASP  14   7.653   1.993  -1.348
   91    H    LEU  15           H        LEU  15   5.990   2.762   0.245
   92    HA   LEU  15           HA       LEU  15   6.651   5.228   1.562
   93    HB2  LEU  15           HB2      LEU  15   4.945   6.412   0.337
   94    HB3  LEU  15           HB3      LEU  15   5.945   5.516  -0.775
   95    HG   LEU  15           HG       LEU  15   3.176   4.642   0.092
   96   HD11  LEU  15          HD11      LEU  15   4.031   6.071  -2.417
   97   HD12  LEU  15          HD12      LEU  15   3.075   6.758  -1.104
   98   HD13  LEU  15          HD13      LEU  15   2.420   5.443  -2.080
   99   HD21  LEU  15          HD21      LEU  15   3.297   3.236  -1.940
  100   HD22  LEU  15          HD22      LEU  15   4.464   2.778  -0.718
  101   HD23  LEU  15          HD23      LEU  15   4.990   3.696  -2.135
  102    H    CYS  16           H        CYS  16   4.634   2.486   1.866
  103    HA   CYS  16           HA       CYS  16   2.975   3.781   3.830
  104    HB2  CYS  16           HB2      CYS  16   2.842   1.048   2.599
  105    HB3  CYS  16           HB3      CYS  16   1.598   1.894   3.504
  106    HN1  NH2  17           HN1      NH2  17   4.706   3.813   5.418
  107    HN2  NH2  17           HN2      NH2  17   5.258   2.365   6.180
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1  -6.782   5.264  -4.301
    2    H2   GLY   1           H2       GLY   1  -7.204   6.616  -3.342
    3    H3   GLY   1           H3       GLY   1  -7.310   5.044  -2.736
    4    HA2  GLY   1           HA2      GLY   1  -4.785   6.293  -3.519
    5    HA3  GLY   1           HA3      GLY   1  -5.423   6.194  -1.874
    6    H    CYS   2           H        CYS   2  -3.290   4.802  -3.849
    7    HA   CYS   2           HA       CYS   2  -3.723   2.029  -3.729
    8    HB2  CYS   2           HB2      CYS   2  -2.010   3.378  -5.025
    9    HB3  CYS   2           HB3      CYS   2  -1.102   3.426  -3.563
   10    H    CYS   3           H        CYS   3  -2.090   4.211  -1.615
   11    HA   CYS   3           HA       CYS   3  -1.130   2.247   0.208
   12    HB2  CYS   3           HB2      CYS   3  -0.174   4.513   0.113
   13    HB3  CYS   3           HB3      CYS   3  -1.676   5.150   0.770
   14    H    SER   4           H        SER   4  -4.271   3.470  -0.232
   15    HA   SER   4           HA       SER   4  -5.093   2.679   2.436
   16    HB2  SER   4           HB2      SER   4  -5.906   4.824   1.389
   17    HB3  SER   4           HB3      SER   4  -6.738   3.866   0.181
   18    HG   SER   4           HG       SER   4  -7.155   3.707   2.985
   19    H    ASP   5           H        ASP   5  -4.548   1.307  -0.530
   20    HA   ASP   5           HA       ASP   5  -6.743  -0.613  -0.393
   21    HB2  ASP   5           HB2      ASP   5  -6.504   0.463  -2.571
   22    HB3  ASP   5           HB3      ASP   5  -4.790   0.110  -2.590
   23    HA   PRO   6           HA       PRO   6  -3.596  -3.021   1.775
   24    HB2  PRO   6           HB2      PRO   6  -5.584  -5.192   1.295
   25    HB3  PRO   6           HB3      PRO   6  -4.745  -4.738   2.776
   26    HG2  PRO   6           HG2      PRO   6  -7.309  -4.059   2.368
   27    HG3  PRO   6           HG3      PRO   6  -6.189  -3.004   3.242
   28    HD2  PRO   6           HD2      PRO   6  -7.268  -2.744   0.473
   29    HD3  PRO   6           HD3      PRO   6  -6.800  -1.479   1.630
   30    HA   PRO   7           HA       PRO   7  -3.100  -6.451  -1.746
   31    HB2  PRO   7           HB2      PRO   7  -4.382  -4.908  -3.951
   32    HB3  PRO   7           HB3      PRO   7  -4.284  -6.656  -3.719
   33    HG2  PRO   7           HG2      PRO   7  -6.545  -5.403  -3.207
   34    HG3  PRO   7           HG3      PRO   7  -5.956  -6.668  -2.112
   35    HD2  PRO   7           HD2      PRO   7  -5.865  -3.698  -1.780
   36    HD3  PRO   7           HD3      PRO   7  -6.211  -4.959  -0.583
   37    H    CYS   8           H        CYS   8  -3.255  -3.026  -2.902
   38    HA   CYS   8           HA       CYS   8  -0.634  -3.541  -3.971
   39    HB2  CYS   8           HB2      CYS   8  -0.679  -1.471  -5.127
   40    HB3  CYS   8           HB3      CYS   8  -2.218  -2.257  -5.399
   41    H    ARG   9           H        ARG   9  -1.933  -2.109  -1.129
   42    HA   ARG   9           HA       ARG   9   0.241  -0.397  -0.495
   43    HB2  ARG   9           HB2      ARG   9  -2.096  -0.698   0.617
   44    HB3  ARG   9           HB3      ARG   9  -1.321  -1.958   1.520
   45    HG2  ARG   9           HG2      ARG   9  -0.071   0.731   1.474
   46    HG3  ARG   9           HG3      ARG   9  -1.395   0.423   2.603
   47    HD2  ARG   9           HD2      ARG   9   1.223  -1.096   2.423
   48    HD3  ARG   9           HD3      ARG   9   0.833   0.099   3.659
   49    HE   ARG   9           HE       ARG   9  -1.160  -1.695   3.892
   50   HH11  ARG   9          HH11      ARG   9   2.358  -2.025   3.938
   51   HH12  ARG   9          HH12      ARG   9   2.325  -3.386   4.970
   52   HH21  ARG   9          HH21      ARG   9  -1.151  -3.531   5.307
   53   HH22  ARG   9          HH22      ARG   9   0.321  -4.277   5.724
   54    H    ASN  10           H        ASN  10  -0.455  -3.701   0.065
   55    HA   ASN  10           HA       ASN  10   1.866  -4.371   1.537
   56    HB2  ASN  10           HB2      ASN  10  -0.059  -5.894   1.398
   57    HB3  ASN  10           HB3      ASN  10   0.269  -6.186  -0.300
   58   HD21  ASN  10          HD21      ASN  10   1.929  -7.656  -0.850
   59   HD22  ASN  10          HD22      ASN  10   2.754  -8.605   0.320
   60    H    LYS  11           H        LYS  11   1.545  -3.607  -1.784
   61    HA   LYS  11           HA       LYS  11   4.053  -4.776  -2.617
   62    HB2  LYS  11           HB2      LYS  11   1.989  -3.025  -3.933
   63    HB3  LYS  11           HB3      LYS  11   3.462  -3.427  -4.692
   64    HG2  LYS  11           HG2      LYS  11   1.390  -5.445  -3.816
   65    HG3  LYS  11           HG3      LYS  11   1.640  -4.870  -5.464
   66    HD2  LYS  11           HD2      LYS  11   3.973  -5.720  -5.333
   67    HD3  LYS  11           HD3      LYS  11   3.584  -6.439  -3.775
   68    HE2  LYS  11           HE2      LYS  11   2.228  -7.061  -6.387
   69    HE3  LYS  11           HE3      LYS  11   3.418  -8.082  -5.588
   70    HZ1  LYS  11           HZ1      LYS  11   1.859  -8.271  -3.714
   71    HZ2  LYS  11           HZ2      LYS  11   1.202  -8.866  -5.139
   72    HZ3  LYS  11           HZ3      LYS  11   0.728  -7.366  -4.561
   73    H    HIS  12           H        HIS  12   2.976  -2.034  -0.997
   74    HA   HIS  12           HA       HIS  12   5.323  -0.511  -1.843
   75    HB2  HIS  12           HB2      HIS  12   2.501   0.472  -1.611
   76    HB3  HIS  12           HB3      HIS  12   3.858   1.558  -1.794
   77    HD1  HIS  12           HD1      HIS  12   5.364   0.766  -4.135
   78    HD2  HIS  12           HD2      HIS  12   1.345  -0.122  -3.827
   79    HE1  HIS  12           HE1      HIS  12   4.601   0.251  -6.481
   80    HA   PRO  13           HA       PRO  13   4.338  -0.371   2.798
   81    HB2  PRO  13           HB2      PRO  13   6.149  -2.047   3.915
   82    HB3  PRO  13           HB3      PRO  13   4.586  -2.612   3.315
   83    HG2  PRO  13           HG2      PRO  13   7.276  -2.728   1.996
   84    HG3  PRO  13           HG3      PRO  13   6.010  -3.973   2.060
   85    HD2  PRO  13           HD2      PRO  13   6.433  -2.319  -0.075
   86    HD3  PRO  13           HD3      PRO  13   4.859  -3.043   0.307
   87    H    ASP  14           H        ASP  14   7.282  -0.225   0.975
   88    HA   ASP  14           HA       ASP  14   8.667   1.255   3.050
   89    HB2  ASP  14           HB2      ASP  14   9.948  -0.443   1.815
   90    HB3  ASP  14           HB3      ASP  14   9.593   0.387   0.301
   91    H    LEU  15           H        LEU  15   6.660   1.733   0.355
   92    HA   LEU  15           HA       LEU  15   7.718   4.232  -0.438
   93    HB2  LEU  15           HB2      LEU  15   6.722   2.724  -2.063
   94    HB3  LEU  15           HB3      LEU  15   5.276   2.626  -1.087
   95    HG   LEU  15           HG       LEU  15   4.906   4.955  -1.439
   96   HD11  LEU  15          HD11      LEU  15   7.117   4.586  -3.393
   97   HD12  LEU  15          HD12      LEU  15   7.063   5.740  -2.042
   98   HD13  LEU  15          HD13      LEU  15   6.038   5.979  -3.475
   99   HD21  LEU  15          HD21      LEU  15   4.943   3.161  -3.821
  100   HD22  LEU  15          HD22      LEU  15   4.142   4.739  -3.807
  101   HD23  LEU  15          HD23      LEU  15   3.614   3.471  -2.688
  102    H    CYS  16           H        CYS  16   4.852   2.771   1.045
  103    HA   CYS  16           HA       CYS  16   4.242   5.180   2.557
  104    HB2  CYS  16           HB2      CYS  16   2.726   5.055   0.564
  105    HB3  CYS  16           HB3      CYS  16   2.185   3.487   1.186
  106    HN1  NH2  17           HN1      NH2  17   3.072   1.703   2.258
  107    HN2  NH2  17           HN2      NH2  17   3.037   1.610   3.978
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1  -7.370   5.930  -2.619
    2    H2   GLY   1           H2       GLY   1  -6.431   6.369  -3.946
    3    H3   GLY   1           H3       GLY   1  -6.867   7.533  -2.787
    4    HA2  GLY   1           HA2      GLY   1  -4.583   6.849  -2.500
    5    HA3  GLY   1           HA3      GLY   1  -5.606   6.447  -1.125
    6    H    CYS   2           H        CYS   2  -3.286   5.290  -3.157
    7    HA   CYS   2           HA       CYS   2  -4.127   2.573  -3.538
    8    HB2  CYS   2           HB2      CYS   2  -2.261   4.174  -4.607
    9    HB3  CYS   2           HB3      CYS   2  -1.282   3.394  -3.406
   10    H    CYS   3           H        CYS   3  -2.510   4.444  -1.177
   11    HA   CYS   3           HA       CYS   3  -1.533   2.240   0.380
   12    HB2  CYS   3           HB2      CYS   3  -0.448   4.483   0.342
   13    HB3  CYS   3           HB3      CYS   3  -1.836   5.151   1.180
   14    H    SER   4           H        SER   4  -4.555   3.371  -0.134
   15    HA   SER   4           HA       SER   4  -5.549   2.542   2.494
   16    HB2  SER   4           HB2      SER   4  -6.310   4.743   1.614
   17    HB3  SER   4           HB3      SER   4  -6.962   3.929   0.195
   18    HG   SER   4           HG       SER   4  -7.930   2.810   2.467
   19    H    ASP   5           H        ASP   5  -4.640   1.226  -0.303
   20    HA   ASP   5           HA       ASP   5  -6.777  -0.754  -0.326
   21    HB2  ASP   5           HB2      ASP   5  -6.859   0.553  -2.378
   22    HB3  ASP   5           HB3      ASP   5  -5.135   0.315  -2.627
   23    HA   PRO   6           HA       PRO   6  -3.296  -2.973   1.422
   24    HB2  PRO   6           HB2      PRO   6  -5.202  -5.226   0.948
   25    HB3  PRO   6           HB3      PRO   6  -4.239  -4.841   2.375
   26    HG2  PRO   6           HG2      PRO   6  -6.834  -4.260   2.320
   27    HG3  PRO   6           HG3      PRO   6  -5.663  -3.166   3.073
   28    HD2  PRO   6           HD2      PRO   6  -7.072  -2.915   0.452
   29    HD3  PRO   6           HD3      PRO   6  -6.595  -1.653   1.607
   30    HA   PRO   7           HA       PRO   7  -2.848  -6.124  -2.415
   31    HB2  PRO   7           HB2      PRO   7  -4.253  -4.284  -4.313
   32    HB3  PRO   7           HB3      PRO   7  -4.053  -6.040  -4.401
   33    HG2  PRO   7           HG2      PRO   7  -6.351  -5.053  -3.585
   34    HG3  PRO   7           HG3      PRO   7  -5.631  -6.431  -2.729
   35    HD2  PRO   7           HD2      PRO   7  -5.749  -3.557  -1.945
   36    HD3  PRO   7           HD3      PRO   7  -5.897  -5.011  -0.940
   37    H    CYS   8           H        CYS   8  -3.058  -2.579  -3.144
   38    HA   CYS   8           HA       CYS   8  -0.403  -2.840  -4.327
   39    HB2  CYS   8           HB2      CYS   8  -0.746  -0.704  -5.375
   40    HB3  CYS   8           HB3      CYS   8  -2.182  -1.684  -5.631
   41    H    ARG   9           H        ARG   9  -1.283  -2.548  -1.349
   42    HA   ARG   9           HA       ARG   9   0.633  -0.376  -0.720
   43    HB2  ARG   9           HB2      ARG   9  -1.717  -0.248   0.163
   44    HB3  ARG   9           HB3      ARG   9  -1.350  -1.675   1.085
   45    HG2  ARG   9           HG2      ARG   9   0.601  -0.554   2.062
   46    HG3  ARG   9           HG3      ARG   9   0.057   0.938   1.316
   47    HD2  ARG   9           HD2      ARG   9  -2.036   0.854   2.534
   48    HD3  ARG   9           HD3      ARG   9  -1.604  -0.705   3.231
   49    HE   ARG   9           HE       ARG   9   0.405   1.015   3.935
   50   HH11  ARG   9          HH11      ARG   9  -3.098   0.929   4.432
   51   HH12  ARG   9          HH12      ARG   9  -3.041   1.660   5.973
   52   HH21  ARG   9          HH21      ARG   9   0.465   2.075   6.021
   53   HH22  ARG   9          HH22      ARG   9  -0.963   2.350   6.895
   54    H    ASN  10           H        ASN  10  -0.504  -3.488   0.265
   55    HA   ASN  10           HA       ASN  10   1.450  -4.048   2.204
   56    HB2  ASN  10           HB2      ASN  10  -0.657  -5.311   2.070
   57    HB3  ASN  10           HB3      ASN  10  -0.116  -6.059   0.572
   58   HD21  ASN  10          HD21      ASN  10   1.334  -7.767   0.664
   59   HD22  ASN  10          HD22      ASN  10   1.837  -8.467   2.145
   60    H    LYS  11           H        LYS  11   1.600  -4.358  -1.205
   61    HA   LYS  11           HA       LYS  11   4.063  -5.851  -1.125
   62    HB2  LYS  11           HB2      LYS  11   2.284  -4.787  -3.262
   63    HB3  LYS  11           HB3      LYS  11   3.894  -5.316  -3.642
   64    HG2  LYS  11           HG2      LYS  11   3.333  -7.533  -2.636
   65    HG3  LYS  11           HG3      LYS  11   1.682  -6.955  -2.426
   66    HD2  LYS  11           HD2      LYS  11   1.375  -6.729  -4.775
   67    HD3  LYS  11           HD3      LYS  11   3.091  -7.011  -5.081
   68    HE2  LYS  11           HE2      LYS  11   1.771  -8.993  -5.589
   69    HE3  LYS  11           HE3      LYS  11   2.878  -9.290  -4.255
   70    HZ1  LYS  11           HZ1      LYS  11   1.003  -8.979  -2.719
   71    HZ2  LYS  11           HZ2      LYS  11   0.723 -10.222  -3.818
   72    HZ3  LYS  11           HZ3      LYS  11  -0.025  -8.741  -4.034
   73    H    HIS  12           H        HIS  12   3.260  -2.708  -0.564
   74    HA   HIS  12           HA       HIS  12   5.760  -1.727  -1.720
   75    HB2  HIS  12           HB2      HIS  12   3.064  -0.425  -1.973
   76    HB3  HIS  12           HB3      HIS  12   4.558   0.324  -2.483
   77    HD1  HIS  12           HD1      HIS  12   5.835  -1.171  -4.518
   78    HD2  HIS  12           HD2      HIS  12   1.848  -1.894  -3.698
   79    HE1  HIS  12           HE1      HIS  12   4.956  -2.403  -6.527
   80    HA   PRO  13           HA       PRO  13   4.839  -0.084   2.619
   81    HB2  PRO  13           HB2      PRO  13   6.567  -1.467   4.128
   82    HB3  PRO  13           HB3      PRO  13   5.016  -2.179   3.664
   83    HG2  PRO  13           HG2      PRO  13   7.724  -2.627   2.474
   84    HG3  PRO  13           HG3      PRO  13   6.469  -3.814   2.875
   85    HD2  PRO  13           HD2      PRO  13   6.886  -2.816   0.353
   86    HD3  PRO  13           HD3      PRO  13   5.328  -3.439   0.924
   87    H    ASP  14           H        ASP  14   7.020  -0.072   0.355
   88    HA   ASP  14           HA       ASP  14   9.336   1.124   1.543
   89    HB2  ASP  14           HB2      ASP  14   9.605  -0.094  -0.502
   90    HB3  ASP  14           HB3      ASP  14   8.408   0.906  -1.319
   91    H    LEU  15           H        LEU  15   6.440   2.297  -0.082
   92    HA   LEU  15           HA       LEU  15   7.429   4.937   0.426
   93    HB2  LEU  15           HB2      LEU  15   5.811   5.856  -1.203
   94    HB3  LEU  15           HB3      LEU  15   6.981   4.772  -1.903
   95    HG   LEU  15           HG       LEU  15   4.175   3.853  -1.262
   96   HD11  LEU  15          HD11      LEU  15   4.018   5.832  -2.702
   97   HD12  LEU  15          HD12      LEU  15   3.613   4.367  -3.595
   98   HD13  LEU  15          HD13      LEU  15   5.191   5.121  -3.810
   99   HD21  LEU  15          HD21      LEU  15   5.809   2.093  -1.760
  100   HD22  LEU  15          HD22      LEU  15   6.277   2.942  -3.230
  101   HD23  LEU  15          HD23      LEU  15   4.655   2.269  -3.087
  102    H    CYS  16           H        CYS  16   4.609   2.887   0.975
  103    HA   CYS  16           HA       CYS  16   3.925   4.645   3.153
  104    HB2  CYS  16           HB2      CYS  16   2.678   5.485   1.131
  105    HB3  CYS  16           HB3      CYS  16   1.893   3.917   1.034
  106    HN1  NH2  17           HN1      NH2  17   4.443   2.986   4.498
  107    HN2  NH2  17           HN2      NH2  17   3.594   1.481   4.559
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1  -5.951   7.162  -3.617
    2    H2   GLY   1           H2       GLY   1  -6.413   5.521  -3.545
    3    H3   GLY   1           H3       GLY   1  -5.116   5.990  -4.513
    4    HA2  GLY   1           HA2      GLY   1  -3.848   6.612  -2.607
    5    HA3  GLY   1           HA3      GLY   1  -5.221   6.205  -1.588
    6    H    CYS   2           H        CYS   2  -2.405   5.074  -2.994
    7    HA   CYS   2           HA       CYS   2  -3.063   2.318  -3.346
    8    HB2  CYS   2           HB2      CYS   2  -1.065   3.650  -4.260
    9    HB3  CYS   2           HB3      CYS   2  -0.378   3.445  -2.688
   10    H    CYS   3           H        CYS   3  -1.712   4.261  -0.860
   11    HA   CYS   3           HA       CYS   3  -1.177   2.133   0.913
   12    HB2  CYS   3           HB2      CYS   3  -0.186   4.400   1.193
   13    HB3  CYS   3           HB3      CYS   3  -1.753   4.981   1.737
   14    H    SER   4           H        SER   4  -4.119   3.754   0.104
   15    HA   SER   4           HA       SER   4  -5.620   2.765   2.347
   16    HB2  SER   4           HB2      SER   4  -6.503   4.100  -0.206
   17    HB3  SER   4           HB3      SER   4  -7.411   3.946   1.298
   18    HG   SER   4           HG       SER   4  -6.421   5.995   1.021
   19    H    ASP   5           H        ASP   5  -4.342   1.366  -0.359
   20    HA   ASP   5           HA       ASP   5  -6.601  -0.454  -0.704
   21    HB2  ASP   5           HB2      ASP   5  -6.290   0.816  -2.744
   22    HB3  ASP   5           HB3      ASP   5  -4.570   0.461  -2.744
   23    HA   PRO   6           HA       PRO   6  -3.523  -2.932   1.430
   24    HB2  PRO   6           HB2      PRO   6  -5.678  -4.948   0.965
   25    HB3  PRO   6           HB3      PRO   6  -4.748  -4.597   2.423
   26    HG2  PRO   6           HG2      PRO   6  -7.251  -3.715   2.154
   27    HG3  PRO   6           HG3      PRO   6  -6.010  -2.748   2.967
   28    HD2  PRO   6           HD2      PRO   6  -7.203  -2.417   0.258
   29    HD3  PRO   6           HD3      PRO   6  -6.613  -1.185   1.390
   30    HA   PRO   7           HA       PRO   7  -3.434  -6.257  -2.355
   31    HB2  PRO   7           HB2      PRO   7  -4.472  -4.202  -4.257
   32    HB3  PRO   7           HB3      PRO   7  -4.517  -5.968  -4.383
   33    HG2  PRO   7           HG2      PRO   7  -6.677  -4.668  -3.629
   34    HG3  PRO   7           HG3      PRO   7  -6.196  -6.161  -2.800
   35    HD2  PRO   7           HD2      PRO   7  -5.972  -3.338  -1.893
   36    HD3  PRO   7           HD3      PRO   7  -6.299  -4.808  -0.955
   37    H    CYS   8           H        CYS   8  -3.089  -2.720  -3.120
   38    HA   CYS   8           HA       CYS   8  -0.507  -3.433  -4.166
   39    HB2  CYS   8           HB2      CYS   8  -0.274  -1.201  -5.032
   40    HB3  CYS   8           HB3      CYS   8  -1.878  -1.788  -5.426
   41    H    ARG   9           H        ARG   9  -1.775  -1.845  -1.317
   42    HA   ARG   9           HA       ARG   9   0.618  -0.617  -0.455
   43    HB2  ARG   9           HB2      ARG   9  -1.847  -0.482   0.370
   44    HB3  ARG   9           HB3      ARG   9  -1.383  -1.784   1.406
   45    HG2  ARG   9           HG2      ARG   9   0.432   0.521   1.416
   46    HG3  ARG   9           HG3      ARG   9  -1.129   0.735   2.227
   47    HD2  ARG   9           HD2      ARG   9   0.793  -1.510   2.784
   48    HD3  ARG   9           HD3      ARG   9   0.727  -0.023   3.735
   49    HE   ARG   9           HE       ARG   9  -1.702  -1.610   3.420
   50   HH11  ARG   9          HH11      ARG   9   0.883  -0.508   5.566
   51   HH12  ARG   9          HH12      ARG   9   0.103  -1.016   6.993
   52   HH21  ARG   9          HH21      ARG   9  -2.787  -2.234   5.340
   53   HH22  ARG   9          HH22      ARG   9  -2.082  -1.993   6.867
   54    H    ASN  10           H        ASN  10  -0.673  -3.733  -0.019
   55    HA   ASN  10           HA       ASN  10   1.244  -4.862   1.721
   56    HB2  ASN  10           HB2      ASN  10  -0.841  -6.039   1.232
   57    HB3  ASN  10           HB3      ASN  10  -0.408  -6.173  -0.456
   58   HD21  ASN  10          HD21      ASN  10   1.828  -6.891   2.211
   59   HD22  ASN  10          HD22      ASN  10   1.879  -8.578   1.914
   60    H    LYS  11           H        LYS  11   1.528  -4.036  -1.591
   61    HA   LYS  11           HA       LYS  11   3.937  -5.588  -1.923
   62    HB2  LYS  11           HB2      LYS  11   2.401  -3.757  -3.735
   63    HB3  LYS  11           HB3      LYS  11   3.804  -4.666  -4.186
   64    HG2  LYS  11           HG2      LYS  11   2.589  -6.769  -3.721
   65    HG3  LYS  11           HG3      LYS  11   1.168  -5.820  -3.286
   66    HD2  LYS  11           HD2      LYS  11   0.925  -6.622  -5.548
   67    HD3  LYS  11           HD3      LYS  11   1.155  -4.873  -5.571
   68    HE2  LYS  11           HE2      LYS  11   3.514  -5.190  -6.131
   69    HE3  LYS  11           HE3      LYS  11   3.292  -6.937  -6.075
   70    HZ1  LYS  11           HZ1      LYS  11   3.245  -6.165  -8.314
   71    HZ2  LYS  11           HZ2      LYS  11   2.040  -5.042  -7.974
   72    HZ3  LYS  11           HZ3      LYS  11   1.686  -6.682  -7.918
   73    H    HIS  12           H        HIS  12   3.020  -2.622  -0.636
   74    HA   HIS  12           HA       HIS  12   5.546  -1.411  -1.499
   75    HB2  HIS  12           HB2      HIS  12   2.901   0.037  -1.626
   76    HB3  HIS  12           HB3      HIS  12   4.466   0.791  -1.850
   77    HD1  HIS  12           HD1      HIS  12   5.752   0.117  -4.133
   78    HD2  HIS  12           HD2      HIS  12   1.869  -1.214  -3.687
   79    HE1  HIS  12           HE1      HIS  12   5.041  -0.705  -6.418
   80    HA   PRO  13           HA       PRO  13   5.116  -0.516   2.979
   81    HB2  PRO  13           HB2      PRO  13   7.791  -1.524   3.336
   82    HB3  PRO  13           HB3      PRO  13   6.285  -2.209   3.948
   83    HG2  PRO  13           HG2      PRO  13   7.848  -3.413   2.029
   84    HG3  PRO  13           HG3      PRO  13   6.106  -3.686   2.213
   85    HD2  PRO  13           HD2      PRO  13   7.554  -1.907   0.289
   86    HD3  PRO  13           HD3      PRO  13   6.145  -2.957   0.010
   87    H    ASP  14           H        ASP  14   7.359   0.254   0.501
   88    HA   ASP  14           HA       ASP  14   8.758   2.230   2.138
   89    HB2  ASP  14           HB2      ASP  14  10.140   0.827   0.676
   90    HB3  ASP  14           HB3      ASP  14   9.232   1.369  -0.725
   91    H    LEU  15           H        LEU  15   6.184   2.048  -0.172
   92    HA   LEU  15           HA       LEU  15   6.383   4.763  -0.912
   93    HB2  LEU  15           HB2      LEU  15   5.632   3.031  -2.471
   94    HB3  LEU  15           HB3      LEU  15   4.347   2.615  -1.348
   95    HG   LEU  15           HG       LEU  15   3.396   4.741  -1.615
   96   HD11  LEU  15          HD11      LEU  15   4.058   6.189  -3.581
   97   HD12  LEU  15          HD12      LEU  15   5.459   5.142  -3.810
   98   HD13  LEU  15          HD13      LEU  15   5.298   6.089  -2.333
   99   HD21  LEU  15          HD21      LEU  15   2.451   4.370  -3.898
  100   HD22  LEU  15          HD22      LEU  15   2.516   2.921  -2.897
  101   HD23  LEU  15          HD23      LEU  15   3.715   3.169  -4.165
  102    H    CYS  16           H        CYS  16   4.772   2.719   1.404
  103    HA   CYS  16           HA       CYS  16   3.831   5.100   2.735
  104    HB2  CYS  16           HB2      CYS  16   1.887   4.148   1.441
  105    HB3  CYS  16           HB3      CYS  16   2.050   2.678   2.398
  106    HN1  NH2  17           HN1      NH2  17   5.369   4.857   4.235
  107    HN2  NH2  17           HN2      NH2  17   5.523   3.474   5.257
  Start of MODEL   16
    1    H1   GLY   1           H1       GLY   1  -7.264   5.687  -5.535
    2    H2   GLY   1           H2       GLY   1  -6.915   4.054  -5.839
    3    H3   GLY   1           H3       GLY   1  -5.695   5.189  -5.945
    4    HA2  GLY   1           HA2      GLY   1  -5.798   5.585  -3.596
    5    HA3  GLY   1           HA3      GLY   1  -7.145   4.450  -3.480
    6    H    CYS   2           H        CYS   2  -3.853   4.782  -3.200
    7    HA   CYS   2           HA       CYS   2  -3.425   1.963  -3.876
    8    HB2  CYS   2           HB2      CYS   2  -2.102   3.748  -5.064
    9    HB3  CYS   2           HB3      CYS   2  -1.371   4.109  -3.534
   10    H    CYS   3           H        CYS   3  -2.313   4.447  -1.678
   11    HA   CYS   3           HA       CYS   3  -1.039   2.713   0.122
   12    HB2  CYS   3           HB2      CYS   3  -0.578   5.153  -0.100
   13    HB3  CYS   3           HB3      CYS   3  -2.090   5.484   0.731
   14    H    SER   4           H        SER   4  -4.437   3.694   0.028
   15    HA   SER   4           HA       SER   4  -4.938   2.589   2.635
   16    HB2  SER   4           HB2      SER   4  -6.786   3.649   0.520
   17    HB3  SER   4           HB3      SER   4  -7.176   3.320   2.210
   18    HG   SER   4           HG       SER   4  -5.056   4.856   2.198
   19    H    ASP   5           H        ASP   5  -4.582   1.388  -0.476
   20    HA   ASP   5           HA       ASP   5  -6.642  -0.673  -0.198
   21    HB2  ASP   5           HB2      ASP   5  -6.700   0.569  -2.300
   22    HB3  ASP   5           HB3      ASP   5  -4.999   0.235  -2.570
   23    HA   PRO   6           HA       PRO   6  -3.369  -3.153   1.544
   24    HB2  PRO   6           HB2      PRO   6  -5.186  -5.366   0.701
   25    HB3  PRO   6           HB3      PRO   6  -4.388  -5.077   2.244
   26    HG2  PRO   6           HG2      PRO   6  -6.981  -4.507   1.920
   27    HG3  PRO   6           HG3      PRO   6  -5.917  -3.519   2.932
   28    HD2  PRO   6           HD2      PRO   6  -7.052  -2.925   0.248
   29    HD3  PRO   6           HD3      PRO   6  -6.629  -1.826   1.572
   30    HA   PRO   7           HA       PRO   7  -2.225  -5.870  -2.307
   31    HB2  PRO   7           HB2      PRO   7  -3.831  -4.625  -4.464
   32    HB3  PRO   7           HB3      PRO   7  -3.476  -6.334  -4.189
   33    HG2  PRO   7           HG2      PRO   7  -5.902  -5.373  -3.713
   34    HG3  PRO   7           HG3      PRO   7  -5.173  -6.558  -2.612
   35    HD2  PRO   7           HD2      PRO   7  -5.401  -3.590  -2.319
   36    HD3  PRO   7           HD3      PRO   7  -5.704  -4.860  -1.117
   37    H    CYS   8           H        CYS   8  -2.990  -2.475  -2.432
   38    HA   CYS   8           HA       CYS   8  -0.632  -1.944  -4.096
   39    HB2  CYS   8           HB2      CYS   8  -3.084  -1.029  -4.500
   40    HB3  CYS   8           HB3      CYS   8  -2.624   0.138  -3.268
   41    H    ARG   9           H        ARG   9  -1.175  -2.528  -1.048
   42    HA   ARG   9           HA       ARG   9   0.396  -0.253  -0.027
   43    HB2  ARG   9           HB2      ARG   9  -1.904  -0.554   0.843
   44    HB3  ARG   9           HB3      ARG   9  -1.431  -2.125   1.400
   45    HG2  ARG   9           HG2      ARG   9   0.297  -1.208   2.776
   46    HG3  ARG   9           HG3      ARG   9  -0.182   0.421   2.299
   47    HD2  ARG   9           HD2      ARG   9  -1.187  -0.158   4.482
   48    HD3  ARG   9           HD3      ARG   9  -2.421   0.054   3.242
   49    HE   ARG   9           HE       ARG   9  -1.474  -2.657   3.758
   50   HH11  ARG   9          HH11      ARG   9  -4.041  -0.267   4.157
   51   HH12  ARG   9          HH12      ARG   9  -5.212  -1.371   4.701
   52   HH21  ARG   9          HH21      ARG   9  -3.058  -4.191   4.554
   53   HH22  ARG   9          HH22      ARG   9  -4.638  -3.660   4.939
   54    H    ASN  10           H        ASN  10  -0.345  -3.606   0.605
   55    HA   ASN  10           HA       ASN  10   1.991  -3.963   2.174
   56    HB2  ASN  10           HB2      ASN  10   0.090  -6.046   1.099
   57    HB3  ASN  10           HB3      ASN  10   1.414  -6.397   2.203
   58   HD21  ASN  10          HD21      ASN  10   0.120  -7.082   3.877
   59   HD22  ASN  10          HD22      ASN  10  -0.890  -6.023   4.784
   60    H    LYS  11           H        LYS  11   1.496  -4.142  -1.181
   61    HA   LYS  11           HA       LYS  11   3.938  -5.632  -1.674
   62    HB2  LYS  11           HB2      LYS  11   1.975  -4.230  -3.457
   63    HB3  LYS  11           HB3      LYS  11   3.302  -5.212  -3.998
   64    HG2  LYS  11           HG2      LYS  11   0.955  -6.225  -2.395
   65    HG3  LYS  11           HG3      LYS  11   1.027  -6.252  -4.146
   66    HD2  LYS  11           HD2      LYS  11   1.573  -8.435  -3.462
   67    HD3  LYS  11           HD3      LYS  11   3.111  -7.699  -3.886
   68    HE2  LYS  11           HE2      LYS  11   3.687  -7.438  -1.570
   69    HE3  LYS  11           HE3      LYS  11   2.061  -7.895  -1.056
   70    HZ1  LYS  11           HZ1      LYS  11   3.683  -9.639  -0.785
   71    HZ2  LYS  11           HZ2      LYS  11   4.040  -9.633  -2.426
   72    HZ3  LYS  11           HZ3      LYS  11   2.501 -10.108  -1.890
   73    H    HIS  12           H        HIS  12   3.217  -2.636  -0.632
   74    HA   HIS  12           HA       HIS  12   5.421  -1.318  -2.059
   75    HB2  HIS  12           HB2      HIS  12   2.639  -0.204  -1.651
   76    HB3  HIS  12           HB3      HIS  12   3.945   0.687  -2.382
   77    HD1  HIS  12           HD1      HIS  12   4.570  -0.110  -4.926
   78    HD2  HIS  12           HD2      HIS  12   1.294  -1.889  -3.140
   79    HE1  HIS  12           HE1      HIS  12   3.348  -1.279  -6.788
   80    HA   PRO  13           HA       PRO  13   4.660  -0.816   2.626
   81    HB2  PRO  13           HB2      PRO  13   7.215  -2.063   3.225
   82    HB3  PRO  13           HB3      PRO  13   5.595  -2.589   3.677
   83    HG2  PRO  13           HG2      PRO  13   7.145  -3.935   1.890
   84    HG3  PRO  13           HG3      PRO  13   5.375  -3.941   1.844
   85    HD2  PRO  13           HD2      PRO  13   7.304  -2.324   0.218
   86    HD3  PRO  13           HD3      PRO  13   5.828  -3.168  -0.300
   87    H    ASP  14           H        ASP  14   7.369  -0.048   0.634
   88    HA   ASP  14           HA       ASP  14   8.556   1.645   2.659
   89    HB2  ASP  14           HB2      ASP  14  10.057   0.388   1.237
   90    HB3  ASP  14           HB3      ASP  14   9.395   1.147  -0.202
   91    H    LEU  15           H        LEU  15   6.644   2.022  -0.262
   92    HA   LEU  15           HA       LEU  15   6.873   4.847   0.049
   93    HB2  LEU  15           HB2      LEU  15   5.542   5.071  -2.032
   94    HB3  LEU  15           HB3      LEU  15   6.960   4.080  -2.230
   95    HG   LEU  15           HG       LEU  15   5.330   2.090  -1.982
   96   HD11  LEU  15          HD11      LEU  15   3.373   4.265  -2.692
   97   HD12  LEU  15          HD12      LEU  15   3.380   3.303  -1.214
   98   HD13  LEU  15          HD13      LEU  15   3.043   2.535  -2.768
   99   HD21  LEU  15          HD21      LEU  15   4.847   2.147  -4.379
  100   HD22  LEU  15          HD22      LEU  15   6.499   2.663  -4.035
  101   HD23  LEU  15          HD23      LEU  15   5.262   3.859  -4.419
  102    H    CYS  16           H        CYS  16   4.788   2.369   0.966
  103    HA   CYS  16           HA       CYS  16   3.162   4.306   2.373
  104    HB2  CYS  16           HB2      CYS  16   1.756   3.760   0.487
  105    HB3  CYS  16           HB3      CYS  16   2.042   2.037   0.709
  106    HN1  NH2  17           HN1      NH2  17   2.914   0.781   2.048
  107    HN2  NH2  17           HN2      NH2  17   3.298   0.445   3.695
  Start of MODEL   17
    1    H1   GLY   1           H1       GLY   1  -8.338   5.722  -2.752
    2    H2   GLY   1           H2       GLY   1  -7.649   6.068  -4.247
    3    H3   GLY   1           H3       GLY   1  -8.016   7.325  -3.180
    4    HA2  GLY   1           HA2      GLY   1  -5.644   6.842  -3.157
    5    HA3  GLY   1           HA3      GLY   1  -6.393   6.456  -1.607
    6    H    CYS   2           H        CYS   2  -4.167   5.332  -3.677
    7    HA   CYS   2           HA       CYS   2  -5.095   2.625  -4.031
    8    HB2  CYS   2           HB2      CYS   2  -3.482   4.157  -5.460
    9    HB3  CYS   2           HB3      CYS   2  -2.285   3.464  -4.410
   10    H    CYS   3           H        CYS   3  -2.933   4.418  -2.039
   11    HA   CYS   3           HA       CYS   3  -1.832   2.102  -0.735
   12    HB2  CYS   3           HB2      CYS   3  -0.614   4.296  -0.931
   13    HB3  CYS   3           HB3      CYS   3  -1.732   4.981   0.232
   14    H    SER   4           H        SER   4  -4.797   3.495  -0.576
   15    HA   SER   4           HA       SER   4  -5.340   2.764   2.183
   16    HB2  SER   4           HB2      SER   4  -6.442   4.771   1.117
   17    HB3  SER   4           HB3      SER   4  -7.256   3.685   0.001
   18    HG   SER   4           HG       SER   4  -7.703   2.889   2.564
   19    H    ASP   5           H        ASP   5  -4.994   1.269  -0.763
   20    HA   ASP   5           HA       ASP   5  -6.871  -0.896  -0.225
   21    HB2  ASP   5           HB2      ASP   5  -7.019  -0.046  -2.479
   22    HB3  ASP   5           HB3      ASP   5  -5.272  -0.080  -2.664
   23    HA   PRO   6           HA       PRO   6  -3.378  -2.846   1.745
   24    HB2  PRO   6           HB2      PRO   6  -4.938  -5.341   1.289
   25    HB3  PRO   6           HB3      PRO   6  -4.224  -4.712   2.771
   26    HG2  PRO   6           HG2      PRO   6  -6.851  -4.533   2.327
   27    HG3  PRO   6           HG3      PRO   6  -5.964  -3.259   3.176
   28    HD2  PRO   6           HD2      PRO   6  -7.006  -3.303   0.377
   29    HD3  PRO   6           HD3      PRO   6  -6.880  -1.950   1.519
   30    HA   PRO   7           HA       PRO   7  -2.018  -5.908  -1.761
   31    HB2  PRO   7           HB2      PRO   7  -3.687  -4.848  -3.986
   32    HB3  PRO   7           HB3      PRO   7  -3.123  -6.498  -3.705
   33    HG2  PRO   7           HG2      PRO   7  -5.649  -5.856  -3.242
   34    HG3  PRO   7           HG3      PRO   7  -4.778  -6.937  -2.140
   35    HD2  PRO   7           HD2      PRO   7  -5.472  -4.048  -1.816
   36    HD3  PRO   7           HD3      PRO   7  -5.485  -5.352  -0.611
   37    H    CYS   8           H        CYS   8  -3.256  -2.693  -2.740
   38    HA   CYS   8           HA       CYS   8  -0.806  -2.066  -4.120
   39    HB2  CYS   8           HB2      CYS   8  -3.040  -1.231  -4.891
   40    HB3  CYS   8           HB3      CYS   8  -3.139  -0.245  -3.442
   41    H    ARG   9           H        ARG   9  -1.274  -2.364  -0.987
   42    HA   ARG   9           HA       ARG   9   0.439  -0.060  -0.251
   43    HB2  ARG   9           HB2      ARG   9  -1.893  -0.327   0.717
   44    HB3  ARG   9           HB3      ARG   9  -1.293  -1.757   1.489
   45    HG2  ARG   9           HG2      ARG   9   0.348  -0.518   2.728
   46    HG3  ARG   9           HG3      ARG   9  -0.171   0.973   1.931
   47    HD2  ARG   9           HD2      ARG   9  -2.408   0.715   2.841
   48    HD3  ARG   9           HD3      ARG   9  -1.942  -0.787   3.617
   49    HE   ARG   9           HE       ARG   9  -0.313   0.676   4.886
   50   HH11  ARG   9          HH11      ARG   9  -3.261   2.088   3.573
   51   HH12  ARG   9          HH12      ARG   9  -3.664   2.969   4.977
   52   HH21  ARG   9          HH21      ARG   9  -0.773   1.969   6.779
   53   HH22  ARG   9          HH22      ARG   9  -2.207   2.906   6.850
   54    H    ASN  10           H        ASN  10  -0.329  -3.372   0.425
   55    HA   ASN  10           HA       ASN  10   1.913  -3.987   2.040
   56    HB2  ASN  10           HB2      ASN  10  -0.182  -5.283   2.115
   57    HB3  ASN  10           HB3      ASN  10   0.135  -5.885   0.496
   58   HD21  ASN  10          HD21      ASN  10   1.063  -6.031   3.834
   59   HD22  ASN  10          HD22      ASN  10   1.981  -7.481   3.738
   60    H    LYS  11           H        LYS  11   1.592  -3.889  -1.377
   61    HA   LYS  11           HA       LYS  11   4.012  -5.385  -1.880
   62    HB2  LYS  11           HB2      LYS  11   2.123  -3.775  -3.555
   63    HB3  LYS  11           HB3      LYS  11   3.523  -4.559  -4.213
   64    HG2  LYS  11           HG2      LYS  11   2.599  -6.744  -3.515
   65    HG3  LYS  11           HG3      LYS  11   1.194  -5.910  -2.847
   66    HD2  LYS  11           HD2      LYS  11   0.698  -5.019  -5.086
   67    HD3  LYS  11           HD3      LYS  11   2.065  -5.934  -5.727
   68    HE2  LYS  11           HE2      LYS  11   1.008  -8.007  -5.010
   69    HE3  LYS  11           HE3      LYS  11  -0.354  -7.092  -4.364
   70    HZ1  LYS  11           HZ1      LYS  11   0.462  -7.195  -7.222
   71    HZ2  LYS  11           HZ2      LYS  11  -0.839  -6.315  -6.596
   72    HZ3  LYS  11           HZ3      LYS  11  -0.856  -7.974  -6.525
   73    H    HIS  12           H        HIS  12   3.313  -2.443  -0.656
   74    HA   HIS  12           HA       HIS  12   5.641  -1.155  -1.866
   75    HB2  HIS  12           HB2      HIS  12   2.934   0.066  -1.344
   76    HB3  HIS  12           HB3      HIS  12   4.333   0.991  -1.852
   77    HD1  HIS  12           HD1      HIS  12   5.224   0.398  -4.326
   78    HD2  HIS  12           HD2      HIS  12   1.570  -1.204  -3.234
   79    HE1  HIS  12           HE1      HIS  12   4.188  -0.512  -6.462
   80    HA   PRO  13           HA       PRO  13   5.284  -0.882   2.910
   81    HB2  PRO  13           HB2      PRO  13   7.479  -2.315   3.632
   82    HB3  PRO  13           HB3      PRO  13   5.893  -3.065   3.424
   83    HG2  PRO  13           HG2      PRO  13   8.198  -2.967   1.519
   84    HG3  PRO  13           HG3      PRO  13   7.157  -4.339   1.943
   85    HD2  PRO  13           HD2      PRO  13   6.799  -2.926  -0.318
   86    HD3  PRO  13           HD3      PRO  13   5.439  -3.619   0.580
   87    H    ASP  14           H        ASP  14   7.482  -0.359   0.448
   88    HA   ASP  14           HA       ASP  14   9.489   1.035   1.889
   89    HB2  ASP  14           HB2      ASP  14   9.998   0.055  -0.282
   90    HB3  ASP  14           HB3      ASP  14   8.805   1.098  -1.052
   91    H    LEU  15           H        LEU  15   6.844   2.196  -0.256
   92    HA   LEU  15           HA       LEU  15   7.295   4.773   0.890
   93    HB2  LEU  15           HB2      LEU  15   5.917   5.732  -0.907
   94    HB3  LEU  15           HB3      LEU  15   7.245   4.783  -1.513
   95    HG   LEU  15           HG       LEU  15   5.421   2.910  -1.795
   96   HD11  LEU  15          HD11      LEU  15   3.699   5.367  -1.762
   97   HD12  LEU  15          HD12      LEU  15   3.639   4.023  -0.618
   98   HD13  LEU  15          HD13      LEU  15   3.216   3.762  -2.311
   99   HD21  LEU  15          HD21      LEU  15   5.512   5.338  -3.581
  100   HD22  LEU  15          HD22      LEU  15   4.929   3.739  -4.040
  101   HD23  LEU  15          HD23      LEU  15   6.629   3.975  -3.634
  102    H    CYS  16           H        CYS  16   4.950   2.214   1.059
  103    HA   CYS  16           HA       CYS  16   3.167   3.906   2.547
  104    HB2  CYS  16           HB2      CYS  16   2.997   1.223   1.252
  105    HB3  CYS  16           HB3      CYS  16   1.812   1.701   2.464
  106    HN1  NH2  17           HN1      NH2  17   3.741   0.456   3.046
  107    HN2  NH2  17           HN2      NH2  17   4.312   0.610   4.660
  Start of MODEL   18
    1    H1   GLY   1           H1       GLY   1  -6.522   5.509  -2.912
    2    H2   GLY   1           H2       GLY   1  -6.035   7.111  -3.126
    3    H3   GLY   1           H3       GLY   1  -5.620   6.283  -1.710
    4    HA2  GLY   1           HA2      GLY   1  -4.649   5.687  -4.430
    5    HA3  GLY   1           HA3      GLY   1  -3.715   6.400  -3.121
    6    H    CYS   2           H        CYS   2  -2.387   4.479  -3.797
    7    HA   CYS   2           HA       CYS   2  -3.170   1.797  -3.422
    8    HB2  CYS   2           HB2      CYS   2  -1.180   2.815  -4.655
    9    HB3  CYS   2           HB3      CYS   2  -0.431   2.902  -3.099
   10    H    CYS   3           H        CYS   3  -1.582   4.088  -1.408
   11    HA   CYS   3           HA       CYS   3  -0.905   2.366   0.721
   12    HB2  CYS   3           HB2      CYS   3   0.069   4.641   0.408
   13    HB3  CYS   3           HB3      CYS   3  -1.456   5.333   0.946
   14    H    SER   4           H        SER   4  -3.984   3.686  -0.119
   15    HA   SER   4           HA       SER   4  -5.014   2.957   2.491
   16    HB2  SER   4           HB2      SER   4  -5.556   5.215   1.613
   17    HB3  SER   4           HB3      SER   4  -6.370   4.476   0.236
   18    HG   SER   4           HG       SER   4  -7.174   3.652   2.750
   19    H    ASP   5           H        ASP   5  -4.275   1.393  -0.204
   20    HA   ASP   5           HA       ASP   5  -6.734  -0.188  -0.236
   21    HB2  ASP   5           HB2      ASP   5  -6.560   1.254  -2.227
   22    HB3  ASP   5           HB3      ASP   5  -4.999   0.542  -2.598
   23    HA   PRO   6           HA       PRO   6  -3.602  -2.920   1.480
   24    HB2  PRO   6           HB2      PRO   6  -5.887  -4.799   1.126
   25    HB3  PRO   6           HB3      PRO   6  -4.823  -4.572   2.520
   26    HG2  PRO   6           HG2      PRO   6  -7.276  -3.537   2.513
   27    HG3  PRO   6           HG3      PRO   6  -5.911  -2.649   3.209
   28    HD2  PRO   6           HD2      PRO   6  -7.345  -2.202   0.638
   29    HD3  PRO   6           HD3      PRO   6  -6.581  -1.028   1.730
   30    HA   PRO   7           HA       PRO   7  -3.947  -6.391  -2.090
   31    HB2  PRO   7           HB2      PRO   7  -4.754  -5.084  -4.460
   32    HB3  PRO   7           HB3      PRO   7  -5.639  -6.329  -3.577
   33    HG2  PRO   7           HG2      PRO   7  -5.940  -3.376  -3.499
   34    HG3  PRO   7           HG3      PRO   7  -7.166  -4.640  -3.316
   35    HD2  PRO   7           HD2      PRO   7  -6.279  -3.252  -1.220
   36    HD3  PRO   7           HD3      PRO   7  -6.644  -4.982  -1.078
   37    H    CYS   8           H        CYS   8  -3.328  -2.983  -3.053
   38    HA   CYS   8           HA       CYS   8  -0.878  -3.999  -4.226
   39    HB2  CYS   8           HB2      CYS   8  -0.539  -1.799  -5.206
   40    HB3  CYS   8           HB3      CYS   8  -2.145  -2.388  -5.595
   41    H    ARG   9           H        ARG   9  -1.985  -2.184  -1.477
   42    HA   ARG   9           HA       ARG   9   0.236  -0.753  -0.637
   43    HB2  ARG   9           HB2      ARG   9  -2.096  -0.916   0.327
   44    HB3  ARG   9           HB3      ARG   9  -1.534  -2.329   1.148
   45    HG2  ARG   9           HG2      ARG   9   0.145  -1.206   2.343
   46    HG3  ARG   9           HG3      ARG   9  -0.138   0.296   1.462
   47    HD2  ARG   9           HD2      ARG   9  -1.123   0.372   3.695
   48    HD3  ARG   9           HD3      ARG   9  -2.362   0.455   2.448
   49    HE   ARG   9           HE       ARG   9  -1.827  -2.182   3.476
   50   HH11  ARG   9          HH11      ARG   9  -3.777   0.743   3.841
   51   HH12  ARG   9          HH12      ARG   9  -5.034  -0.027   4.704
   52   HH21  ARG   9          HH21      ARG   9  -3.502  -3.236   4.666
   53   HH22  ARG   9          HH22      ARG   9  -4.857  -2.357   5.198
   54    H    ASN  10           H        ASN  10  -0.570  -4.034  -0.110
   55    HA   ASN  10           HA       ASN  10   1.529  -4.789   1.628
   56    HB2  ASN  10           HB2      ASN  10  -0.042  -6.471  -0.302
   57    HB3  ASN  10           HB3      ASN  10   1.271  -7.168   0.637
   58   HD21  ASN  10          HD21      ASN  10   1.017  -7.424   2.844
   59   HD22  ASN  10          HD22      ASN  10  -0.509  -7.260   3.615
   60    H    LYS  11           H        LYS  11   1.747  -4.146  -1.734
   61    HA   LYS  11           HA       LYS  11   4.326  -5.419  -1.944
   62    HB2  LYS  11           HB2      LYS  11   2.578  -3.927  -3.840
   63    HB3  LYS  11           HB3      LYS  11   4.135  -4.553  -4.273
   64    HG2  LYS  11           HG2      LYS  11   3.239  -6.856  -3.656
   65    HG3  LYS  11           HG3      LYS  11   1.652  -6.094  -3.523
   66    HD2  LYS  11           HD2      LYS  11   3.399  -6.148  -5.988
   67    HD3  LYS  11           HD3      LYS  11   1.959  -7.120  -5.720
   68    HE2  LYS  11           HE2      LYS  11   0.563  -5.156  -5.704
   69    HE3  LYS  11           HE3      LYS  11   1.973  -4.104  -5.768
   70    HZ1  LYS  11           HZ1      LYS  11   0.907  -4.339  -7.908
   71    HZ2  LYS  11           HZ2      LYS  11   1.183  -6.007  -7.906
   72    HZ3  LYS  11           HZ3      LYS  11   2.483  -4.924  -7.940
   73    H    HIS  12           H        HIS  12   3.082  -2.567  -0.785
   74    HA   HIS  12           HA       HIS  12   5.420  -1.077  -1.701
   75    HB2  HIS  12           HB2      HIS  12   2.587  -0.045  -1.643
   76    HB3  HIS  12           HB3      HIS  12   3.987   0.965  -1.945
   77    HD1  HIS  12           HD1      HIS  12   5.271   0.444  -4.270
   78    HD2  HIS  12           HD2      HIS  12   1.651  -1.476  -3.708
   79    HE1  HIS  12           HE1      HIS  12   4.603  -0.459  -6.531
   80    HA   PRO  13           HA       PRO  13   5.011  -0.350   2.781
   81    HB2  PRO  13           HB2      PRO  13   7.208  -1.590   3.671
   82    HB3  PRO  13           HB3      PRO  13   5.747  -2.501   3.276
   83    HG2  PRO  13           HG2      PRO  13   8.292  -2.273   1.759
   84    HG3  PRO  13           HG3      PRO  13   7.158  -3.628   1.859
   85    HD2  PRO  13           HD2      PRO  13   7.333  -1.691  -0.212
   86    HD3  PRO  13           HD3      PRO  13   6.072  -2.920  -0.010
   87    H    ASP  14           H        ASP  14   7.145   0.396   0.321
   88    HA   ASP  14           HA       ASP  14   9.123   1.798   1.834
   89    HB2  ASP  14           HB2      ASP  14   9.775   0.879  -0.288
   90    HB3  ASP  14           HB3      ASP  14   8.531   1.805  -1.116
   91    H    LEU  15           H        LEU  15   6.597   3.031  -0.415
   92    HA   LEU  15           HA       LEU  15   6.995   5.581   0.805
   93    HB2  LEU  15           HB2      LEU  15   5.668   6.583  -0.878
   94    HB3  LEU  15           HB3      LEU  15   6.621   5.363  -1.679
   95    HG   LEU  15           HG       LEU  15   3.683   5.121  -0.982
   96   HD11  LEU  15          HD11      LEU  15   4.065   6.782  -2.687
   97   HD12  LEU  15          HD12      LEU  15   3.323   5.344  -3.389
   98   HD13  LEU  15          HD13      LEU  15   5.045   5.644  -3.611
   99   HD21  LEU  15          HD21      LEU  15   5.421   3.319  -2.676
  100   HD22  LEU  15          HD22      LEU  15   3.686   3.149  -2.419
  101   HD23  LEU  15          HD23      LEU  15   4.801   2.932  -1.070
  102    H    CYS  16           H        CYS  16   5.070   2.925   1.316
  103    HA   CYS  16           HA       CYS  16   3.227   4.508   2.944
  104    HB2  CYS  16           HB2      CYS  16   2.011   3.580   1.015
  105    HB3  CYS  16           HB3      CYS  16   2.581   1.967   1.421
  106    HN1  NH2  17           HN1      NH2  17   4.396   4.269   4.771
  107    HN2  NH2  17           HN2      NH2  17   4.709   2.754   5.541
  Start of MODEL   19
    1    H1   GLY   1           H1       GLY   1  -6.618   7.686  -3.633
    2    H2   GLY   1           H2       GLY   1  -7.281   6.139  -3.793
    3    H3   GLY   1           H3       GLY   1  -5.881   6.531  -4.626
    4    HA2  GLY   1           HA2      GLY   1  -4.660   6.747  -2.576
    5    HA3  GLY   1           HA3      GLY   1  -6.125   6.345  -1.688
    6    H    CYS   2           H        CYS   2  -3.803   5.131  -4.068
    7    HA   CYS   2           HA       CYS   2  -4.797   2.447  -4.079
    8    HB2  CYS   2           HB2      CYS   2  -3.266   3.789  -5.773
    9    HB3  CYS   2           HB3      CYS   2  -1.981   3.197  -4.755
   10    H    CYS   3           H        CYS   3  -2.317   4.230  -2.499
   11    HA   CYS   3           HA       CYS   3  -1.025   2.101  -1.126
   12    HB2  CYS   3           HB2      CYS   3   0.061   4.279  -1.626
   13    HB3  CYS   3           HB3      CYS   3  -1.029   5.070  -0.509
   14    H    SER   4           H        SER   4  -4.003   3.570  -0.597
   15    HA   SER   4           HA       SER   4  -4.033   3.060   2.255
   16    HB2  SER   4           HB2      SER   4  -5.194   5.057   1.303
   17    HB3  SER   4           HB3      SER   4  -6.234   3.986   0.373
   18    HG   SER   4           HG       SER   4  -6.047   4.182   3.189
   19    H    ASP   5           H        ASP   5  -4.581   1.435  -0.672
   20    HA   ASP   5           HA       ASP   5  -6.586  -0.389   0.421
   21    HB2  ASP   5           HB2      ASP   5  -6.982   0.606  -1.809
   22    HB3  ASP   5           HB3      ASP   5  -5.486  -0.117  -2.379
   23    HA   PRO   6           HA       PRO   6  -3.418  -3.124   1.892
   24    HB2  PRO   6           HB2      PRO   6  -5.450  -5.192   1.183
   25    HB3  PRO   6           HB3      PRO   6  -4.514  -4.996   2.668
   26    HG2  PRO   6           HG2      PRO   6  -7.082  -4.211   2.474
   27    HG3  PRO   6           HG3      PRO   6  -5.904  -3.373   3.493
   28    HD2  PRO   6           HD2      PRO   6  -7.164  -2.498   0.968
   29    HD3  PRO   6           HD3      PRO   6  -6.398  -1.536   2.245
   30    HA   PRO   7           HA       PRO   7  -2.540  -6.068  -1.763
   31    HB2  PRO   7           HB2      PRO   7  -3.795  -5.568  -4.166
   32    HB3  PRO   7           HB3      PRO   7  -4.287  -6.823  -3.027
   33    HG2  PRO   7           HG2      PRO   7  -5.428  -4.111  -3.472
   34    HG3  PRO   7           HG3      PRO   7  -6.254  -5.629  -3.085
   35    HD2  PRO   7           HD2      PRO   7  -5.808  -3.685  -1.250
   36    HD3  PRO   7           HD3      PRO   7  -5.865  -5.409  -0.837
   37    H    CYS   8           H        CYS   8  -3.298  -2.720  -2.278
   38    HA   CYS   8           HA       CYS   8  -0.917  -2.418  -3.955
   39    HB2  CYS   8           HB2      CYS   8  -3.111  -1.504  -4.814
   40    HB3  CYS   8           HB3      CYS   8  -3.139  -0.416  -3.435
   41    H    ARG   9           H        ARG   9  -1.395  -2.702  -0.912
   42    HA   ARG   9           HA       ARG   9   0.214  -0.357  -0.098
   43    HB2  ARG   9           HB2      ARG   9  -2.134  -0.872   0.863
   44    HB3  ARG   9           HB3      ARG   9  -1.357  -2.213   1.651
   45    HG2  ARG   9           HG2      ARG   9   0.074  -0.785   2.899
   46    HG3  ARG   9           HG3      ARG   9  -0.513   0.618   1.992
   47    HD2  ARG   9           HD2      ARG   9  -2.806   0.183   2.836
   48    HD3  ARG   9           HD3      ARG   9  -2.170  -1.134   3.813
   49    HE   ARG   9           HE       ARG   9  -0.743   0.762   4.813
   50   HH11  ARG   9          HH11      ARG   9  -4.163   1.070   3.814
   51   HH12  ARG   9          HH12      ARG   9  -4.507   2.302   4.937
   52   HH21  ARG   9          HH21      ARG   9  -1.292   2.410   6.392
   53   HH22  ARG   9          HH22      ARG   9  -2.870   3.050   6.458
   54    H    ASN  10           H        ASN  10  -0.390  -3.745   0.388
   55    HA   ASN  10           HA       ASN  10   1.842  -4.509   1.881
   56    HB2  ASN  10           HB2      ASN  10  -0.013  -6.007   1.684
   57    HB3  ASN  10           HB3      ASN  10   0.139  -6.063  -0.065
   58   HD21  ASN  10          HD21      ASN  10   1.471  -7.138   2.947
   59   HD22  ASN  10          HD22      ASN  10   2.433  -8.413   2.302
   60    H    LYS  11           H        LYS  11   1.562  -4.035  -1.521
   61    HA   LYS  11           HA       LYS  11   4.099  -5.266  -2.140
   62    HB2  LYS  11           HB2      LYS  11   2.006  -3.848  -3.746
   63    HB3  LYS  11           HB3      LYS  11   3.444  -4.520  -4.438
   64    HG2  LYS  11           HG2      LYS  11   2.783  -6.764  -3.631
   65    HG3  LYS  11           HG3      LYS  11   1.327  -6.060  -2.934
   66    HD2  LYS  11           HD2      LYS  11   0.604  -5.378  -5.178
   67    HD3  LYS  11           HD3      LYS  11   2.054  -6.124  -5.861
   68    HE2  LYS  11           HE2      LYS  11   1.358  -8.282  -4.946
   69    HE3  LYS  11           HE3      LYS  11  -0.091  -7.533  -4.288
   70    HZ1  LYS  11           HZ1      LYS  11  -0.505  -8.678  -6.370
   71    HZ2  LYS  11           HZ2      LYS  11   0.581  -7.683  -7.175
   72    HZ3  LYS  11           HZ3      LYS  11  -0.826  -7.038  -6.517
   73    H    HIS  12           H        HIS  12   3.392  -2.485  -0.690
   74    HA   HIS  12           HA       HIS  12   5.428  -0.952  -2.124
   75    HB2  HIS  12           HB2      HIS  12   2.659  -0.036  -1.375
   76    HB3  HIS  12           HB3      HIS  12   3.892   1.067  -1.930
   77    HD1  HIS  12           HD1      HIS  12   4.619   0.701  -4.558
   78    HD2  HIS  12           HD2      HIS  12   1.313  -1.381  -3.183
   79    HE1  HIS  12           HE1      HIS  12   3.507  -0.251  -6.604
   80    HA   PRO  13           HA       PRO  13   5.261  -0.936   2.720
   81    HB2  PRO  13           HB2      PRO  13   7.671  -2.052   3.273
   82    HB3  PRO  13           HB3      PRO  13   6.196  -3.001   3.053
   83    HG2  PRO  13           HG2      PRO  13   8.388  -2.433   1.092
   84    HG3  PRO  13           HG3      PRO  13   7.577  -3.971   1.445
   85    HD2  PRO  13           HD2      PRO  13   6.922  -2.483  -0.689
   86    HD3  PRO  13           HD3      PRO  13   5.706  -3.411   0.210
   87    H    ASP  14           H        ASP  14   7.544   0.158   0.374
   88    HA   ASP  14           HA       ASP  14   9.123   1.715   2.208
   89    HB2  ASP  14           HB2      ASP  14  10.078   1.027   0.038
   90    HB3  ASP  14           HB3      ASP  14   8.874   2.011  -0.791
   91    H    LEU  15           H        LEU  15   6.453   2.378   0.040
   92    HA   LEU  15           HA       LEU  15   6.425   5.056   1.027
   93    HB2  LEU  15           HB2      LEU  15   4.572   5.521  -0.614
   94    HB3  LEU  15           HB3      LEU  15   6.120   5.124  -1.305
   95    HG   LEU  15           HG       LEU  15   3.979   3.016  -1.070
   96   HD11  LEU  15          HD11      LEU  15   3.257   3.637  -3.334
   97   HD12  LEU  15          HD12      LEU  15   4.333   5.033  -3.299
   98   HD13  LEU  15          HD13      LEU  15   2.961   4.948  -2.195
   99   HD21  LEU  15          HD21      LEU  15   6.299   3.487  -2.951
  100   HD22  LEU  15          HD22      LEU  15   5.136   2.191  -3.113
  101   HD23  LEU  15          HD23      LEU  15   6.208   2.227  -1.718
  102    H    CYS  16           H        CYS  16   4.405   2.166   1.080
  103    HA   CYS  16           HA       CYS  16   2.460   3.478   2.700
  104    HB2  CYS  16           HB2      CYS  16   2.765   0.653   1.700
  105    HB3  CYS  16           HB3      CYS  16   1.365   1.323   2.521
  106    HN1  NH2  17           HN1      NH2  17   3.626   3.896   4.559
  107    HN2  NH2  17           HN2      NH2  17   4.250   2.661   5.600
  Start of MODEL   20
    1    H1   GLY   1           H1       GLY   1  -6.849   6.143  -2.181
    2    H2   GLY   1           H2       GLY   1  -5.887   7.505  -1.838
    3    H3   GLY   1           H3       GLY   1  -5.486   5.963  -1.234
    4    HA2  GLY   1           HA2      GLY   1  -5.539   6.569  -4.092
    5    HA3  GLY   1           HA3      GLY   1  -4.082   6.590  -3.104
    6    H    CYS   2           H        CYS   2  -3.241   4.819  -4.350
    7    HA   CYS   2           HA       CYS   2  -4.697   2.305  -4.335
    8    HB2  CYS   2           HB2      CYS   2  -3.007   3.213  -6.116
    9    HB3  CYS   2           HB3      CYS   2  -1.802   2.654  -5.004
   10    H    CYS   3           H        CYS   3  -1.981   3.797  -2.847
   11    HA   CYS   3           HA       CYS   3  -1.088   1.471  -1.439
   12    HB2  CYS   3           HB2      CYS   3   0.327   3.521  -2.139
   13    HB3  CYS   3           HB3      CYS   3  -0.278   4.258  -0.662
   14    H    SER   4           H        SER   4  -3.696   3.525  -0.783
   15    HA   SER   4           HA       SER   4  -3.569   3.027   2.032
   16    HB2  SER   4           HB2      SER   4  -5.903   4.117   1.846
   17    HB3  SER   4           HB3      SER   4  -4.493   5.132   1.520
   18    HG   SER   4           HG       SER   4  -6.499   4.247  -0.147
   19    H    ASP   5           H        ASP   5  -4.512   1.428  -0.774
   20    HA   ASP   5           HA       ASP   5  -6.572  -0.162   0.544
   21    HB2  ASP   5           HB2      ASP   5  -7.018   0.627  -1.762
   22    HB3  ASP   5           HB3      ASP   5  -5.572  -0.200  -2.323
   23    HA   PRO   6           HA       PRO   6  -3.442  -2.839   2.101
   24    HB2  PRO   6           HB2      PRO   6  -5.116  -5.161   2.070
   25    HB3  PRO   6           HB3      PRO   6  -4.695  -4.131   3.434
   26    HG2  PRO   6           HG2      PRO   6  -7.129  -4.119   1.771
   27    HG3  PRO   6           HG3      PRO   6  -6.891  -3.508   3.409
   28    HD2  PRO   6           HD2      PRO   6  -7.213  -1.926   1.231
   29    HD3  PRO   6           HD3      PRO   6  -6.286  -1.421   2.656
   30    HA   PRO   7           HA       PRO   7  -2.965  -6.405  -1.155
   31    HB2  PRO   7           HB2      PRO   7  -4.754  -5.434  -3.331
   32    HB3  PRO   7           HB3      PRO   7  -4.398  -7.091  -2.825
   33    HG2  PRO   7           HG2      PRO   7  -6.714  -6.022  -2.184
   34    HG3  PRO   7           HG3      PRO   7  -5.819  -6.964  -0.977
   35    HD2  PRO   7           HD2      PRO   7  -6.032  -3.984  -1.256
   36    HD3  PRO   7           HD3      PRO   7  -6.146  -4.992   0.204
   37    H    CYS   8           H        CYS   8  -3.541  -3.094  -2.105
   38    HA   CYS   8           HA       CYS   8  -1.394  -3.200  -4.052
   39    HB2  CYS   8           HB2      CYS   8  -3.374  -1.812  -4.559
   40    HB3  CYS   8           HB3      CYS   8  -3.067  -0.843  -3.124
   41    H    ARG   9           H        ARG   9  -2.065  -1.867  -0.885
   42    HA   ARG   9           HA       ARG   9   0.241  -0.353  -0.372
   43    HB2  ARG   9           HB2      ARG   9  -1.919  -0.641   0.942
   44    HB3  ARG   9           HB3      ARG   9  -1.207  -2.082   1.571
   45    HG2  ARG   9           HG2      ARG   9   0.612  -0.927   2.589
   46    HG3  ARG   9           HG3      ARG   9   0.092   0.597   1.868
   47    HD2  ARG   9           HD2      ARG   9  -0.608   0.463   4.220
   48    HD3  ARG   9           HD3      ARG   9  -1.995   0.505   3.131
   49    HE   ARG   9           HE       ARG   9  -0.971  -2.037   4.120
   50   HH11  ARG   9          HH11      ARG   9  -3.672   0.294   3.970
   51   HH12  ARG   9          HH12      ARG   9  -4.790  -0.738   4.704
   52   HH21  ARG   9          HH21      ARG   9  -2.545  -3.448   5.133
   53   HH22  ARG   9          HH22      ARG   9  -4.138  -2.924   5.383
   54    H    ASN  10           H        ASN  10  -0.461  -3.682   0.121
   55    HA   ASN  10           HA       ASN  10   1.921  -4.568   1.304
   56    HB2  ASN  10           HB2      ASN  10   0.039  -6.048  -0.502
   57    HB3  ASN  10           HB3      ASN  10   1.529  -6.809   0.034
   58   HD21  ASN  10          HD21      ASN  10   1.761  -7.327   2.186
   59   HD22  ASN  10          HD22      ASN  10   0.425  -7.391   3.276
   60    H    LYS  11           H        LYS  11   1.521  -3.612  -1.981
   61    HA   LYS  11           HA       LYS  11   4.031  -4.784  -2.788
   62    HB2  LYS  11           HB2      LYS  11   1.981  -3.112  -4.213
   63    HB3  LYS  11           HB3      LYS  11   3.400  -3.763  -4.950
   64    HG2  LYS  11           HG2      LYS  11   2.632  -6.062  -4.424
   65    HG3  LYS  11           HG3      LYS  11   1.176  -5.379  -3.704
   66    HD2  LYS  11           HD2      LYS  11   0.568  -4.416  -5.868
   67    HD3  LYS  11           HD3      LYS  11   2.023  -5.108  -6.584
   68    HE2  LYS  11           HE2      LYS  11   0.116  -6.519  -7.082
   69    HE3  LYS  11           HE3      LYS  11   1.222  -7.358  -5.998
   70    HZ1  LYS  11           HZ1      LYS  11  -1.067  -7.657  -5.303
   71    HZ2  LYS  11           HZ2      LYS  11  -1.287  -5.992  -5.206
   72    HZ3  LYS  11           HZ3      LYS  11  -0.248  -6.758  -4.139
   73    H    HIS  12           H        HIS  12   3.059  -2.114  -1.111
   74    HA   HIS  12           HA       HIS  12   5.282  -0.497  -2.123
   75    HB2  HIS  12           HB2      HIS  12   2.482   0.481  -1.572
   76    HB3  HIS  12           HB3      HIS  12   3.827   1.538  -1.932
   77    HD1  HIS  12           HD1      HIS  12   4.751   1.354  -4.509
   78    HD2  HIS  12           HD2      HIS  12   1.247  -0.677  -3.617
   79    HE1  HIS  12           HE1      HIS  12   3.763   0.644  -6.720
   80    HA   PRO  13           HA       PRO  13   4.900  -0.581   2.635
   81    HB2  PRO  13           HB2      PRO  13   6.949  -2.191   3.333
   82    HB3  PRO  13           HB3      PRO  13   5.354  -2.847   2.947
   83    HG2  PRO  13           HG2      PRO  13   7.814  -2.729   1.260
   84    HG3  PRO  13           HG3      PRO  13   6.629  -4.035   1.425
   85    HD2  PRO  13           HD2      PRO  13   6.683  -2.246  -0.658
   86    HD3  PRO  13           HD3      PRO  13   5.232  -3.114  -0.128
   87    H    ASP  14           H        ASP  14   6.828   0.254   0.276
   88    HA   ASP  14           HA       ASP  14   9.191   1.286   1.427
   89    HB2  ASP  14           HB2      ASP  14   8.960   0.880  -0.975
   90    HB3  ASP  14           HB3      ASP  14   7.705   2.106  -1.075
   91    H    LEU  15           H        LEU  15   6.340   3.039   0.202
   92    HA   LEU  15           HA       LEU  15   7.030   5.187   1.943
   93    HB2  LEU  15           HB2      LEU  15   5.421   6.580   0.818
   94    HB3  LEU  15           HB3      LEU  15   6.372   5.742  -0.377
   95    HG   LEU  15           HG       LEU  15   3.530   5.021   0.393
   96   HD11  LEU  15          HD11      LEU  15   4.577   6.510  -2.003
   97   HD12  LEU  15          HD12      LEU  15   3.615   7.186  -0.685
   98   HD13  LEU  15          HD13      LEU  15   2.913   5.980  -1.763
   99   HD21  LEU  15          HD21      LEU  15   4.654   3.085  -0.492
  100   HD22  LEU  15          HD22      LEU  15   5.328   4.037  -1.810
  101   HD23  LEU  15          HD23      LEU  15   3.591   3.734  -1.743
  102    H    CYS  16           H        CYS  16   4.502   2.723   1.626
  103    HA   CYS  16           HA       CYS  16   3.154   3.804   3.899
  104    HB2  CYS  16           HB2      CYS  16   2.592   1.521   2.033
  105    HB3  CYS  16           HB3      CYS  16   1.571   2.002   3.376
  106    HN1  NH2  17           HN1      NH2  17   4.670   3.360   5.487
  107    HN2  NH2  17           HN2      NH2  17   5.066   1.758   6.003