*HEADER    TOXIN                                   18-OCT-05   2BC7              
*TITLE     SOLUTION STRUCTURE OF [SEC2,8]-IMI                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA-CONOTOXIN IMI;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SOLID PHASE PEPTIDE SYNTHESIS                         
*KEYWDS    HELIX, DISULFIDE BOND, DISELENIDE BOND                                
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    C.J.ARMISHAW                                                          
*REVDAT   1   14-MAR-06 2BC7    0                                                


assign (resid   1 and name  HA#)   (resid   3 and name   HN)   3.265    1.465    1.465  
assign (resid   2 and name   HN)   (resid   2 and name  HB2)   2.300    0.500    0.500  
assign (resid   2 and name   HN)   (resid   2 and name  HB1)   2.300    0.500    0.500  
assign (resid   2 and name   HN)   (resid   2 and name  HB#)   2.190    0.390    0.390  
assign (resid   2 and name   HN)   (resid   3 and name   HN)   2.270    0.470    0.470  
assign (resid   2 and name   HA)   (resid   2 and name  HB#)   2.210    0.410    0.410  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.610    0.810    0.810  
assign (resid   2 and name   HA)   (resid   4 and name   HN)   3.060    1.260    1.260  
assign (resid   2 and name   HA)   (resid   5 and name  HB#)   4.090    2.290    2.290  
assign (resid   2 and name   HA)   (resid   8 and name  HB#)   2.815    1.015    1.015  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   2.770    0.970    0.970  
assign (resid   2 and name  HB#)   (resid   8 and name  HB#)   4.370    2.570    2.570  
assign (resid   2 and name  HB#)   (resid  11 and name  HB#)   4.525    2.725    2.725  
assign (resid   3 and name   HN)   (resid   3 and name  HB2)   2.675    0.875    0.875  
assign (resid   3 and name   HN)   (resid   3 and name  HB1)   2.675    0.875    0.875  
assign (resid   3 and name   HN)   (resid   3 and name  HB#)   2.350    0.550    0.550  
assign (resid   3 and name   HN)   (resid   4 and name   HN)   2.180    0.380    0.380  
assign (resid   3 and name   HN)   (resid   8 and name  HB#)   3.810    2.010    2.010  
assign (resid   3 and name   HA)   (resid   3 and name  HB#)   2.220    0.420    0.420  
assign (resid   3 and name   HA)   (resid   8 and name  HB#)   4.090    2.290    2.290  
assign (resid   3 and name   HA)   (resid   9 and name  HB#)   4.085    2.285    2.285  
assign (resid   3 and name   HA)   (resid  12 and name  HB#)   4.090    2.290    2.290  
assign (resid   3 and name  HB2)   (resid   4 and name   HN)   3.000    1.200    1.200  
assign (resid   3 and name  HB1)   (resid   4 and name   HN)   3.000    1.200    1.200  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   2.860    1.060    1.060  
assign (resid   3 and name  HB#)   (resid   9 and name   HA)   2.955    1.155    1.155  
assign (resid   3 and name  HB#)   (resid   9 and name  HB#)   4.600    2.800    2.800   
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.445    0.645    0.645  
assign (resid   4 and name   HN)   (resid   5 and name  HB2)   3.650    1.850    1.850  
assign (resid   4 and name   HN)   (resid   5 and name  HB1)   3.650    1.850    1.850  
assign (resid   4 and name   HN)   (resid   5 and name  HB#)   3.450    1.650    1.650  
assign (resid   4 and name   HN)   (resid   8 and name  HB#)   3.360    1.560    1.560  
assign (resid   4 and name   HN)   (resid   9 and name   HA)   3.650    1.850    1.850  
assign (resid   4 and name   HA)   (resid   4 and name  HB2)   2.300    0.500    0.500  
assign (resid   4 and name   HA)   (resid   4 and name  HB1)   2.300    0.500    0.500  
assign (resid   4 and name   HA)   (resid   4 and name  HB#)   2.190    0.390    0.390  
assign (resid   4 and name  HB2)   (resid   5 and name   HN)   3.650    1.850    1.850  
assign (resid   4 and name  HB1)   (resid   5 and name   HN)   3.650    1.850    1.850  
assign (resid   5 and name   HN)   (resid   5 and name  HB2)   2.255    0.455    0.455  
assign (resid   5 and name   HN)   (resid   5 and name  HB1)   2.255    0.455    0.455  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.105    0.305    0.305  
assign (resid   5 and name   HN)   (resid   8 and name  HB#)   4.090    2.290    2.290  
assign (resid   5 and name   HA)   (resid   5 and name  HB2)   2.380    0.580    0.580  
assign (resid   5 and name   HA)   (resid   5 and name  HB1)   2.380    0.580    0.580  
assign (resid   5 and name   HA)   (resid   5 and name  HB#)   2.225    0.425    0.425  
assign (resid   5 and name   HA)   (resid   6 and name  HD#)   2.505    0.705    0.705  
assign (resid   5 and name   HA)   (resid   7 and name   HN)   3.650    1.850    1.850  
assign (resid   5 and name  HB2)   (resid   6 and name  HD2)   4.525    2.725    2.725  
assign (resid   5 and name  HB2)   (resid   6 and name  HD1)   4.525    2.725    2.725  
assign (resid   5 and name  HB1)   (resid   6 and name  HD2)   4.525    2.725    2.725  
assign (resid   5 and name  HB1)   (resid   6 and name  HD1)   4.525    2.725    2.725  
assign (resid   5 and name  HB#)   (resid   6 and name  HD#)   4.060    2.260    2.260  
assign (resid   5 and name  HB#)   (resid   7 and name   HN)   4.090    2.290    2.290  
assign (resid   5 and name  HB#)   (resid   7 and name  HG#)   3.100    1.300    1.300  
assign (resid   5 and name  HB#)   (resid   8 and name   HN)   3.250    1.450    1.450  
assign (resid   5 and name  HB#)   (resid   8 and name  HB#)   4.385    2.585    2.585  
assign (resid   6 and name   HA)   (resid   9 and name   HN)   3.435    1.635    1.635  
assign (resid   6 and name   HA)   (resid   9 and name  HB#)   3.340    1.540    1.540  
assign (resid   6 and name  HD2)   (resid   8 and name  HB2)   4.525    2.725    2.725  
assign (resid   6 and name  HD2)   (resid   8 and name  HB1)   4.525    2.725    2.725  
assign (resid   6 and name  HD1)   (resid   8 and name  HB2)   4.525    2.725    2.725  
assign (resid   6 and name  HD1)   (resid   8 and name  HB1)   4.525    2.725    2.725  
assign (resid   6 and name  HD#)   (resid   7 and name  HG#)   4.525    2.725    2.725  
assign (resid   6 and name  HD#)   (resid   8 and name  HB#)   3.675    1.875    1.875  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.640    0.840    0.840  
assign (resid   7 and name   HN)   (resid   7 and name  HB1)   2.640    0.840    0.840  
assign (resid   7 and name   HN)   (resid   7 and name  HB#)   2.350    0.550    0.550  
assign (resid   7 and name   HN)   (resid   7 and name  HG#)   2.800    1.000    1.000  
assign (resid   7 and name   HN)   (resid   7 and name  HD#)   4.090    2.290    2.290  
assign (resid   7 and name   HN)   (resid   8 and name   HN)   2.100    0.300    0.300  
assign (resid   7 and name   HN)   (resid   8 and name   HA)   3.650    1.850    1.850  
assign (resid   7 and name   HN)   (resid   8 and name  HB#)   4.090    2.290    2.290  
assign (resid   7 and name   HA)   (resid   7 and name  HB2)   2.195    0.395    0.395  
assign (resid   7 and name   HA)   (resid   7 and name  HB1)   2.195    0.395    0.395  
assign (resid   7 and name   HA)   (resid   7 and name  HB#)   2.070    0.270    0.270  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.720    0.920    0.920  
assign (resid   7 and name   HA)   (resid   8 and name  HB#)   4.090    2.290    2.290  
assign (resid   7 and name   HA)   (resid   9 and name  HB#)   4.165    2.365    2.365  
assign (resid   7 and name  HB2)   (resid   8 and name   HN)   3.650    1.850    1.850  
assign (resid   7 and name  HB1)   (resid   8 and name   HN)   3.650    1.850    1.850  
assign (resid   7 and name  HB#)   (resid  10 and name  HE3)   2.740    0.940    0.940  
assign (resid   7 and name  HG#)   (resid   8 and name   HN)   4.090    2.290    2.290  
assign (resid   7 and name  HD#)   (resid  10 and name  HE3)   3.950    2.150    2.150  
assign (resid   8 and name   HN)   (resid   8 and name  HB2)   2.335    0.535    0.535  
assign (resid   8 and name   HN)   (resid   8 and name  HB1)   2.335    0.535    0.535  
assign (resid   8 and name   HN)   (resid   8 and name  HB#)   2.145    0.345    0.345  
assign (resid   8 and name   HN)   (resid   9 and name  HB#)   4.165    2.365    2.365  
assign (resid   8 and name   HA)   (resid   8 and name  HB2)   2.210    0.410    0.410  
assign (resid   8 and name  HB2)   (resid   9 and name   HN)   3.650    1.850    1.850  
assign (resid   8 and name  HB1)   (resid   9 and name   HN)   3.650    1.850    1.850  
assign (resid   8 and name  HB#)   (resid   9 and name   HN)   3.410    1.610    1.610  
assign (resid   8 and name  HB#)   (resid   9 and name   HA)   3.160    1.360    1.360  
assign (resid   9 and name   HN)   (resid   9 and name   HA)   2.285    0.485    0.485  
assign (resid   9 and name   HA)   (resid  11 and name   HN)   3.650    1.850    1.850  
assign (resid   9 and name   HA)   (resid  12 and name  HB#)   3.455    1.655    1.655  
assign (resid  10 and name   HN)   (resid  10 and name   HA)   2.255    0.455    0.455  
assign (resid  10 and name   HN)   (resid  10 and name  HB1)   2.535    0.735    0.735  
assign (resid  10 and name   HN)   (resid  10 and name  HB#)   2.300    0.500    0.500  
assign (resid  10 and name   HN)   (resid  11 and name  HB#)   3.965    2.165    2.165  
assign (resid  10 and name   HA)   (resid  10 and name  HD1)   2.860    1.060    1.060  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.625    0.825    0.825  
assign (resid  10 and name  HB2)   (resid  11 and name   HN)   3.400    1.600    1.600  
assign (resid  10 and name  HB1)   (resid  11 and name   HN)   3.400    1.600    1.600  
assign (resid  10 and name  HB#)   (resid  10 and name  HD1)   2.580    0.780    0.780  
assign (resid  10 and name  HB#)   (resid  11 and name   HN)   3.175    1.375    1.375  
assign (resid  10 and name  HD1)   (resid  11 and name   HA)   3.650    1.850    1.850  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.725    0.925    0.925  
assign (resid  11 and name   HN)   (resid  11 and name  HG2)   3.650    1.850    1.850  
assign (resid  11 and name   HN)   (resid  11 and name  HG1)   3.650    1.850    1.850  
assign (resid  11 and name   HN)   (resid  11 and name  HG#)   3.360    1.560    1.560  
assign (resid  11 and name   HA)   (resid  11 and name  HG2)   2.520    0.720    0.720  
assign (resid  11 and name   HA)   (resid  11 and name  HG1)   2.520    0.720    0.720  
assign (resid  11 and name   HA)   (resid  11 and name  HG#)   2.305    0.505    0.505  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.410    0.610    0.610  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.625    0.825    0.825  
assign (resid  12 and name   HN)   (resid  12 and name  HB1)   2.625    0.825    0.825  
assign (resid  12 and name   HN)   (resid  12 and name  HB#)   2.355    0.555    0.555  
assign (resid  12 and name   HA)   (resid  12 and name  HB2)   2.240    0.440    0.440  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1           H        GLY   1  -0.394   6.966  -3.085
    2   1HA   GLY   1          2HA       GLY   1  -1.462   6.083  -0.644
    3   2HA   GLY   1          1HA       GLY   1  -2.332   6.152  -2.172
    4   1HN   SEC   2          H         SEC   2   0.552   4.264  -1.596
    5    HA   SEC   2           HA       SEC   2  -0.566   1.904  -2.646
    6   1HB   SEC   2          1HB       SEC   2   1.893   2.229  -0.915
    7   2HB   SEC   2          2HB       SEC   2   1.853   2.365  -2.672
    8    H    CYS   3           H        CYS   3   0.024   2.957   0.658
    9    HA   CYS   3           HA       CYS   3  -0.957   0.559   1.851
   10   1HB   CYS   3          2HB       CYS   3  -0.630   3.278   3.121
   11   2HB   CYS   3          1HB       CYS   3  -0.703   1.725   3.941
   12    H    SER   4           H        SER   4  -2.510   3.051   0.303
   13    HA   SER   4           HA       SER   4  -4.882   3.080   1.960
   14   1HB   SER   4          2HB       SER   4  -4.485   4.382  -0.710
   15   2HB   SER   4          1HB       SER   4  -5.687   4.790   0.506
   16    HG   SER   4           HG       SER   4  -4.055   5.557   1.826
   17    H    ASP   5           H        ASP   5  -3.727   1.630  -0.987
   18    HA   ASP   5           HA       ASP   5  -6.353   0.659  -1.747
   19   1HB   ASP   5          2HB       ASP   5  -4.817   1.323  -3.515
   20   2HB   ASP   5          1HB       ASP   5  -3.618   0.178  -2.929
   21    HA   PRO   6           HA       PRO   6  -6.178  -2.985   0.770
   22   1HB   PRO   6          2HB       PRO   6  -7.738  -4.153  -1.481
   23   2HB   PRO   6          1HB       PRO   6  -8.094  -4.135   0.250
   24   1HG   PRO   6          2HG       PRO   6  -9.391  -2.514  -1.407
   25   2HG   PRO   6          1HG       PRO   6  -8.886  -1.954   0.199
   26   1HD   PRO   6          2HD       PRO   6  -7.687  -1.374  -2.475
   27   2HD   PRO   6          1HD       PRO   6  -7.869  -0.312  -1.064
   28    H    ARG   7           H        ARG   7  -5.610  -3.382  -2.743
   29    HA   ARG   7           HA       ARG   7  -4.213  -5.858  -2.286
   30   1HB   ARG   7          2HB       ARG   7  -4.523  -6.265  -4.440
   31   2HB   ARG   7          1HB       ARG   7  -5.582  -4.870  -4.407
   32   1HG   ARG   7          2HG       ARG   7  -3.269  -3.625  -4.900
   33   2HG   ARG   7          1HG       ARG   7  -2.907  -5.199  -5.614
   34   1HD   ARG   7          2HD       ARG   7  -3.829  -3.912  -7.358
   35   2HD   ARG   7          1HD       ARG   7  -5.122  -4.991  -6.831
   36    HE   ARG   7           HE       ARG   7  -5.231  -2.524  -5.421
   37   1HH1  ARG   7          1HH1      ARG   7  -5.957  -3.929  -8.554
   38   2HH1  ARG   7          2HH1      ARG   7  -7.183  -2.768  -8.931
   39   1HH2  ARG   7          1HH2      ARG   7  -6.830  -1.004  -5.893
   40   2HH2  ARG   7          2HH2      ARG   7  -7.684  -1.090  -7.411
   41   1HN   SEC   8          H         SEC   8  -3.362  -2.525  -2.563
   42    HA   SEC   8           HA       SEC   8  -0.571  -3.153  -3.091
   43   1HB   SEC   8          1HB       SEC   8  -1.474  -0.412  -2.300
   44   2HB   SEC   8          2HB       SEC   8  -1.982  -1.046  -3.865
   45    H    ALA   9           H        ALA   9  -2.703  -2.585  -0.478
   46    HA   ALA   9           HA       ALA   9  -1.007  -1.682   1.534
   47   1HB   ALA   9          1HB       ALA   9  -2.867  -1.751   2.736
   48   2HB   ALA   9          2HB       ALA   9  -2.984  -3.504   2.568
   49   3HB   ALA   9          3HB       ALA   9  -3.674  -2.450   1.333
   50    H    TRP  10           H        TRP  10  -1.409  -4.939   0.242
   51    HA   TRP  10           HA       TRP  10  -0.253  -6.281   2.413
   52   1HB   TRP  10          2HB       TRP  10  -0.145  -8.224   1.087
   53   2HB   TRP  10          1HB       TRP  10  -1.561  -7.362   0.525
   54    HD1  TRP  10           HD       TRP  10   2.143  -7.067  -0.653
   55    HE1  TRP  10           1HE      TRP  10   2.195  -7.462  -3.191
   56    HE3  TRP  10           3HE      TRP  10  -2.825  -8.065  -1.447
   57    HZ2  TRP  10           2HZ      TRP  10   0.395  -8.121  -5.251
   58    HZ3  TRP  10           3HZ      TRP  10  -3.562  -8.581  -3.730
   59    HH2  TRP  10           HH       TRP  10  -1.987  -8.604  -5.593
   60    H    ARG  11           H        ARG  11   1.066  -4.295   0.007
   61    HA   ARG  11           HA       ARG  11   3.805  -5.151   0.636
   62   1HB   ARG  11          2HB       ARG  11   3.105  -5.013  -1.774
   63   2HB   ARG  11          1HB       ARG  11   2.859  -3.287  -1.556
   64   1HG   ARG  11          2HG       ARG  11   5.267  -3.099  -0.929
   65   2HG   ARG  11          1HG       ARG  11   5.456  -4.798  -1.369
   66   1HD   ARG  11          2HD       ARG  11   6.107  -3.238  -3.179
   67   2HD   ARG  11          1HD       ARG  11   4.807  -4.338  -3.637
   68    HE   ARG  11           HE       ARG  11   3.595  -2.031  -2.694
   69   1HH1  ARG  11          1HH1      ARG  11   5.770  -2.888  -5.296
   70   2HH1  ARG  11          2HH1      ARG  11   5.166  -1.680  -6.378
   71   1HH2  ARG  11          1HH2      ARG  11   2.776  -0.444  -4.116
   72   2HH2  ARG  11          2HH2      ARG  11   3.455  -0.282  -5.703
   73    H    CYS  12           H        CYS  12   2.398  -3.858   2.611
   74    HA   CYS  12           HA       CYS  12   3.978  -1.445   2.951
   75   1HB   CYS  12          2HB       CYS  12   1.987  -0.518   1.940
   76   2HB   CYS  12          1HB       CYS  12   0.953  -1.436   3.027
  Start of MODEL    2
    1   1H    GLY   1           H        GLY   1  -0.319   6.871  -3.146
    2   1HA   GLY   1          2HA       GLY   1  -1.334   6.077  -0.620
    3   2HA   GLY   1          1HA       GLY   1  -2.249   6.170  -2.119
    4   1HN   SEC   2          H         SEC   2   0.612   4.218  -1.629
    5    HA   SEC   2           HA       SEC   2  -0.583   1.887  -2.657
    6   1HB   SEC   2          1HB       SEC   2   1.922   2.132  -0.977
    7   2HB   SEC   2          2HB       SEC   2   1.851   2.302  -2.731
    8    H    CYS   3           H        CYS   3   0.065   2.948   0.628
    9    HA   CYS   3           HA       CYS   3  -0.886   0.566   1.866
   10   1HB   CYS   3          2HB       CYS   3  -0.615   3.303   3.108
   11   2HB   CYS   3          1HB       CYS   3  -0.609   1.749   3.930
   12    H    SER   4           H        SER   4  -2.482   3.023   0.295
   13    HA   SER   4           HA       SER   4  -4.833   3.054   1.980
   14   1HB   SER   4          2HB       SER   4  -4.471   4.329  -0.707
   15   2HB   SER   4          1HB       SER   4  -5.675   4.737   0.509
   16    HG   SER   4           HG       SER   4  -4.043   5.529   1.818
   17    H    ASP   5           H        ASP   5  -3.769   1.634  -1.043
   18    HA   ASP   5           HA       ASP   5  -6.419   0.616  -1.642
   19   1HB   ASP   5          2HB       ASP   5  -5.002   1.377  -3.488
   20   2HB   ASP   5          1HB       ASP   5  -3.775   0.201  -3.042
   21    HA   PRO   6           HA       PRO   6  -6.017  -3.020   0.841
   22   1HB   PRO   6          2HB       PRO   6  -7.645  -4.617  -0.776
   23   2HB   PRO   6          1HB       PRO   6  -8.180  -3.598   0.561
   24   1HG   PRO   6          2HG       PRO   6  -8.184  -3.041  -2.369
   25   2HG   PRO   6          1HG       PRO   6  -9.373  -2.584  -1.134
   26   1HD   PRO   6          2HD       PRO   6  -7.647  -0.797  -2.110
   27   2HD   PRO   6          1HD       PRO   6  -8.094  -0.790  -0.391
   28    H    ARG   7           H        ARG   7  -5.683  -3.395  -2.698
   29    HA   ARG   7           HA       ARG   7  -4.255  -5.873  -2.370
   30   1HB   ARG   7          2HB       ARG   7  -4.579  -6.191  -4.555
   31   2HB   ARG   7          1HB       ARG   7  -5.743  -4.894  -4.377
   32   1HG   ARG   7          2HG       ARG   7  -3.635  -3.399  -4.925
   33   2HG   ARG   7          1HG       ARG   7  -3.081  -4.892  -5.687
   34   1HD   ARG   7          2HD       ARG   7  -4.190  -3.829  -7.417
   35   2HD   ARG   7          1HD       ARG   7  -5.429  -4.909  -6.777
   36    HE   ARG   7           HE       ARG   7  -5.568  -2.396  -5.476
   37   1HH1  ARG   7          1HH1      ARG   7  -6.339  -3.949  -8.529
   38   2HH1  ARG   7          2HH1      ARG   7  -7.552  -2.793  -8.955
   39   1HH2  ARG   7          1HH2      ARG   7  -7.131  -0.864  -6.032
   40   2HH2  ARG   7          2HH2      ARG   7  -8.013  -1.029  -7.528
   41   1HN   SEC   8          H         SEC   8  -3.438  -2.546  -2.480
   42    HA   SEC   8           HA       SEC   8  -0.667  -3.130  -3.173
   43   1HB   SEC   8          1HB       SEC   8  -1.536  -0.412  -2.289
   44   2HB   SEC   8          2HB       SEC   8  -2.115  -1.012  -3.845
   45    H    ALA   9           H        ALA   9  -2.696  -2.410  -0.470
   46    HA   ALA   9           HA       ALA   9  -0.915  -1.622   1.484
   47   1HB   ALA   9          1HB       ALA   9  -2.668  -1.766   2.865
   48   2HB   ALA   9          2HB       ALA   9  -3.018  -3.435   2.418
   49   3HB   ALA   9          3HB       ALA   9  -3.575  -2.113   1.393
   50    H    TRP  10           H        TRP  10  -1.408  -4.879   0.221
   51    HA   TRP  10           HA       TRP  10  -0.246  -6.211   2.400
   52   1HB   TRP  10          2HB       TRP  10  -0.267  -8.183   1.142
   53   2HB   TRP  10          1HB       TRP  10  -1.637  -7.270   0.547
   54    HD1  TRP  10           HD       TRP  10   2.083  -7.301  -0.615
   55    HE1  TRP  10           1HE      TRP  10   2.113  -7.769  -3.144
   56    HE3  TRP  10           3HE      TRP  10  -2.951  -7.858  -1.423
   57    HZ2  TRP  10           2HZ      TRP  10   0.270  -8.310  -5.198
   58    HZ3  TRP  10           3HZ      TRP  10  -3.720  -8.366  -3.697
   59    HH2  TRP  10           HH       TRP  10  -2.145  -8.583  -5.547
   60    H    ARG  11           H        ARG  11   1.090  -4.162   0.135
   61    HA   ARG  11           HA       ARG  11   3.823  -5.156   0.607
   62   1HB   ARG  11          2HB       ARG  11   2.603  -3.454  -1.553
   63   2HB   ARG  11          1HB       ARG  11   4.330  -3.397  -1.238
   64   1HG   ARG  11          2HG       ARG  11   4.670  -5.553  -1.977
   65   2HG   ARG  11          1HG       ARG  11   2.988  -6.020  -1.709
   66   1HD   ARG  11          2HD       ARG  11   3.799  -3.981  -3.764
   67   2HD   ARG  11          1HD       ARG  11   3.711  -5.706  -4.122
   68    HE   ARG  11           HE       ARG  11   1.292  -5.075  -2.984
   69   1HH1  ARG  11          1HH1      ARG  11   3.099  -3.928  -5.745
   70   2HH1  ARG  11          2HH1      ARG  11   1.692  -3.593  -6.697
   71   1HH2  ARG  11          1HH2      ARG  11  -0.579  -4.662  -4.229
   72   2HH2  ARG  11          2HH2      ARG  11  -0.410  -4.012  -5.831
   73    H    CYS  12           H        CYS  12   2.210  -3.753   2.548
   74    HA   CYS  12           HA       CYS  12   4.024  -1.556   3.124
   75   1HB   CYS  12          2HB       CYS  12   2.292  -0.402   1.891
   76   2HB   CYS  12          1HB       CYS  12   1.033  -1.194   2.831
  Start of MODEL    3
    1   1H    GLY   1           H        GLY   1  -0.286   6.966  -2.957
    2   1HA   GLY   1          2HA       GLY   1  -1.302   6.061  -0.505
    3   2HA   GLY   1          1HA       GLY   1  -2.218   6.186  -2.001
    4   1HN   SEC   2          H         SEC   2   0.625   4.203  -1.547
    5    HA   SEC   2           HA       SEC   2  -0.579   1.896  -2.614
    6   1HB   SEC   2          1HB       SEC   2   1.917   2.124  -0.919
    7   2HB   SEC   2          2HB       SEC   2   1.850   2.285  -2.673
    8    H    CYS   3           H        CYS   3   0.050   2.898   0.695
    9    HA   CYS   3           HA       CYS   3  -0.926   0.504   1.888
   10   1HB   CYS   3          2HB       CYS   3  -0.655   3.226   3.165
   11   2HB   CYS   3          1HB       CYS   3  -0.676   1.664   3.974
   12    H    SER   4           H        SER   4  -2.483   3.054   0.381
   13    HA   SER   4           HA       SER   4  -4.872   2.996   2.014
   14   1HB   SER   4          2HB       SER   4  -4.457   4.419  -0.590
   15   2HB   SER   4          1HB       SER   4  -5.667   4.771   0.637
   16    HG   SER   4           HG       SER   4  -4.039   5.471   2.003
   17    H    ASP   5           H        ASP   5  -3.672   1.616  -0.935
   18    HA   ASP   5           HA       ASP   5  -6.292   0.738  -1.809
   19   1HB   ASP   5          2HB       ASP   5  -4.686   1.415  -3.502
   20   2HB   ASP   5          1HB       ASP   5  -3.532   0.225  -2.915
   21    HA   PRO   6           HA       PRO   6  -6.404  -2.953   0.621
   22   1HB   PRO   6          2HB       PRO   6  -7.787  -4.004  -1.804
   23   2HB   PRO   6          1HB       PRO   6  -8.272  -4.080  -0.106
   24   1HG   PRO   6          2HG       PRO   6  -9.420  -2.342  -1.749
   25   2HG   PRO   6          1HG       PRO   6  -9.020  -1.881  -0.084
   26   1HD   PRO   6          2HD       PRO   6  -7.651  -1.159  -2.634
   27   2HD   PRO   6          1HD       PRO   6  -7.875  -0.197  -1.159
   28    H    ARG   7           H        ARG   7  -5.660  -3.470  -2.870
   29    HA   ARG   7           HA       ARG   7  -4.263  -5.898  -2.199
   30   1HB   ARG   7          2HB       ARG   7  -4.092  -6.318  -4.473
   31   2HB   ARG   7          1HB       ARG   7  -5.635  -5.501  -4.316
   32   1HG   ARG   7          2HG       ARG   7  -4.511  -3.389  -4.993
   33   2HG   ARG   7          1HG       ARG   7  -3.048  -4.325  -5.302
   34   1HD   ARG   7          2HD       ARG   7  -4.250  -3.971  -7.368
   35   2HD   ARG   7          1HD       ARG   7  -4.286  -5.678  -6.940
   36    HE   ARG   7           HE       ARG   7  -6.546  -5.522  -7.018
   37   1HH1  ARG   7          1HH1      ARG   7  -5.332  -2.393  -6.008
   38   2HH1  ARG   7          2HH1      ARG   7  -6.900  -1.661  -5.928
   39   1HH2  ARG   7          1HH2      ARG   7  -8.622  -4.543  -6.950
   40   2HH2  ARG   7          2HH2      ARG   7  -8.766  -2.878  -6.493
   41   1HN   SEC   8          H         SEC   8  -3.429  -2.592  -2.539
   42    HA   SEC   8           HA       SEC   8  -0.637  -3.194  -3.090
   43   1HB   SEC   8          1HB       SEC   8  -1.555  -0.460  -2.294
   44   2HB   SEC   8          2HB       SEC   8  -2.075  -1.099  -3.853
   45    H    ALA   9           H        ALA   9  -2.754  -2.603  -0.462
   46    HA   ALA   9           HA       ALA   9  -1.077  -1.667   1.535
   47   1HB   ALA   9          1HB       ALA   9  -2.935  -1.776   2.731
   48   2HB   ALA   9          2HB       ALA   9  -2.980  -3.534   2.604
   49   3HB   ALA   9          3HB       ALA   9  -3.717  -2.540   1.346
   50    H    TRP  10           H        TRP  10  -1.398  -4.965   0.304
   51    HA   TRP  10           HA       TRP  10  -0.173  -6.224   2.485
   52   1HB   TRP  10          2HB       TRP  10   0.000  -8.190   1.185
   53   2HB   TRP  10          1HB       TRP  10  -1.475  -7.399   0.672
   54    HD1  TRP  10           HD       TRP  10   2.163  -6.969  -0.651
   55    HE1  TRP  10           1HE      TRP  10   2.132  -7.383  -3.189
   56    HE3  TRP  10           3HE      TRP  10  -2.787  -8.153  -1.239
   57    HZ2  TRP  10           2HZ      TRP  10   0.275  -8.124  -5.171
   58    HZ3  TRP  10           3HZ      TRP  10  -3.598  -8.714  -3.487
   59    HH2  TRP  10           HH       TRP  10  -2.101  -8.696  -5.413
   60    H    ARG  11           H        ARG  11   1.073  -4.271   0.004
   61    HA   ARG  11           HA       ARG  11   3.835  -5.069   0.598
   62   1HB   ARG  11          2HB       ARG  11   3.090  -4.938  -1.796
   63   2HB   ARG  11          1HB       ARG  11   2.815  -3.218  -1.571
   64   1HG   ARG  11          2HG       ARG  11   5.218  -2.958  -1.017
   65   2HG   ARG  11          1HG       ARG  11   5.449  -4.665  -1.400
   66   1HD   ARG  11          2HD       ARG  11   6.036  -3.147  -3.268
   67   2HD   ARG  11          1HD       ARG  11   4.770  -4.305  -3.675
   68    HE   ARG  11           HE       ARG  11   3.484  -2.012  -2.805
   69   1HH1  ARG  11          1HH1      ARG  11   5.681  -2.877  -5.386
   70   2HH1  ARG  11          2HH1      ARG  11   5.030  -1.728  -6.506
   71   1HH2  ARG  11          1HH2      ARG  11   2.604  -0.503  -4.277
   72   2HH2  ARG  11          2HH2      ARG  11   3.271  -0.372  -5.873
   73    H    CYS  12           H        CYS  12   2.494  -3.820   2.621
   74    HA   CYS  12           HA       CYS  12   4.025  -1.370   2.914
   75   1HB   CYS  12          2HB       CYS  12   1.959  -0.507   1.980
   76   2HB   CYS  12          1HB       CYS  12   1.006  -1.435   3.131
  Start of MODEL    4
    1   1H    GLY   1           H        GLY   1  -0.432   6.885  -3.157
    2   1HA   GLY   1          2HA       GLY   1  -1.408   6.059  -0.637
    3   2HA   GLY   1          1HA       GLY   1  -2.336   6.122  -2.129
    4   1HN   SEC   2          H         SEC   2   0.569   4.232  -1.642
    5    HA   SEC   2           HA       SEC   2  -0.576   1.871  -2.652
    6   1HB   SEC   2          1HB       SEC   2   1.925   2.218  -0.983
    7   2HB   SEC   2          2HB       SEC   2   1.837   2.299  -2.744
    8    H    CYS   3           H        CYS   3   0.086   2.930   0.637
    9    HA   CYS   3           HA       CYS   3  -0.851   0.544   1.875
   10   1HB   CYS   3          2HB       CYS   3  -0.616   3.280   3.128
   11   2HB   CYS   3          1HB       CYS   3  -0.572   1.720   3.939
   12    H    SER   4           H        SER   4  -2.462   3.031   0.338
   13    HA   SER   4           HA       SER   4  -4.819   3.007   2.013
   14   1HB   SER   4          2HB       SER   4  -4.462   4.347  -0.642
   15   2HB   SER   4          1HB       SER   4  -5.658   4.726   0.591
   16    HG   SER   4           HG       SER   4  -4.007   5.473   1.915
   17    H    ASP   5           H        ASP   5  -3.717   1.620  -1.004
   18    HA   ASP   5           HA       ASP   5  -6.367   0.647  -1.681
   19   1HB   ASP   5          2HB       ASP   5  -4.881   1.400  -3.480
   20   2HB   ASP   5          1HB       ASP   5  -3.696   0.189  -3.015
   21    HA   PRO   6           HA       PRO   6  -6.114  -3.020   0.773
   22   1HB   PRO   6          2HB       PRO   6  -7.729  -4.147  -1.463
   23   2HB   PRO   6          1HB       PRO   6  -8.031  -4.184   0.278
   24   1HG   PRO   6          2HG       PRO   6  -9.385  -2.517  -1.285
   25   2HG   PRO   6          1HG       PRO   6  -8.827  -2.002   0.319
   26   1HD   PRO   6          2HD       PRO   6  -7.734  -1.332  -2.376
   27   2HD   PRO   6          1HD       PRO   6  -7.850  -0.323  -0.920
   28    H    ARG   7           H        ARG   7  -5.623  -3.380  -2.755
   29    HA   ARG   7           HA       ARG   7  -4.237  -5.874  -2.372
   30   1HB   ARG   7          2HB       ARG   7  -4.435  -6.176  -4.583
   31   2HB   ARG   7          1HB       ARG   7  -5.644  -4.918  -4.427
   32   1HG   ARG   7          2HG       ARG   7  -3.557  -3.357  -4.880
   33   2HG   ARG   7          1HG       ARG   7  -2.947  -4.821  -5.654
   34   1HD   ARG   7          2HD       ARG   7  -4.030  -3.784  -7.404
   35   2HD   ARG   7          1HD       ARG   7  -5.285  -4.861  -6.793
   36    HE   ARG   7           HE       ARG   7  -5.446  -2.346  -5.494
   37   1HH1  ARG   7          1HH1      ARG   7  -6.163  -3.902  -8.559
   38   2HH1  ARG   7          2HH1      ARG   7  -7.358  -2.736  -9.014
   39   1HH2  ARG   7          1HH2      ARG   7  -6.982  -0.803  -6.088
   40   2HH2  ARG   7          2HH2      ARG   7  -7.835  -0.965  -7.602
   41   1HN   SEC   8          H         SEC   8  -3.375  -2.543  -2.541
   42    HA   SEC   8           HA       SEC   8  -0.582  -3.180  -3.066
   43   1HB   SEC   8          1HB       SEC   8  -1.458  -0.426  -2.309
   44   2HB   SEC   8          2HB       SEC   8  -1.971  -1.068  -3.871
   45    H    ALA   9           H        ALA   9  -2.734  -2.562  -0.473
   46    HA   ALA   9           HA       ALA   9  -1.081  -1.638   1.548
   47   1HB   ALA   9          1HB       ALA   9  -3.274  -1.571   2.155
   48   2HB   ALA   9          2HB       ALA   9  -2.775  -3.030   3.011
   49   3HB   ALA   9          3HB       ALA   9  -3.630  -3.158   1.473
   50    H    TRP  10           H        TRP  10  -1.434  -4.937   0.328
   51    HA   TRP  10           HA       TRP  10  -0.173  -6.165   2.519
   52   1HB   TRP  10          2HB       TRP  10  -0.288  -8.168   1.374
   53   2HB   TRP  10          1HB       TRP  10  -1.586  -7.260   0.629
   54    HD1  TRP  10           HD       TRP  10   2.206  -7.604  -0.255
   55    HE1  TRP  10           1HE      TRP  10   2.380  -8.190  -2.749
   56    HE3  TRP  10           3HE      TRP  10  -2.790  -7.777  -1.423
   57    HZ2  TRP  10           2HZ      TRP  10   0.651  -8.675  -4.917
   58    HZ3  TRP  10           3HZ      TRP  10  -3.429  -8.328  -3.728
   59    HH2  TRP  10           HH       TRP  10  -1.746  -8.764  -5.440
   60    H    ARG  11           H        ARG  11   1.001  -4.174   0.097
   61    HA   ARG  11           HA       ARG  11   3.777  -5.096   0.403
   62   1HB   ARG  11          2HB       ARG  11   2.850  -2.877  -1.411
   63   2HB   ARG  11          1HB       ARG  11   4.291  -3.875  -1.550
   64   1HG   ARG  11          2HG       ARG  11   3.017  -5.752  -2.258
   65   2HG   ARG  11          1HG       ARG  11   1.499  -4.932  -1.888
   66   1HD   ARG  11          2HD       ARG  11   2.103  -3.220  -3.604
   67   2HD   ARG  11          1HD       ARG  11   3.482  -4.227  -4.044
   68    HE   ARG  11           HE       ARG  11   1.136  -5.775  -4.121
   69   1HH1  ARG  11          1HH1      ARG  11   2.688  -3.163  -5.843
   70   2HH1  ARG  11          2HH1      ARG  11   1.969  -3.558  -7.368
   71   1HH2  ARG  11          1HH2      ARG  11   0.173  -6.314  -6.129
   72   2HH2  ARG  11          2HH2      ARG  11   0.532  -5.364  -7.533
   73    H    CYS  12           H        CYS  12   2.160  -3.711   2.449
   74    HA   CYS  12           HA       CYS  12   4.037  -1.573   3.056
   75   1HB   CYS  12          2HB       CYS  12   2.323  -0.367   1.848
   76   2HB   CYS  12          1HB       CYS  12   1.054  -1.142   2.786
  Start of MODEL    5
    1   1H    GLY   1           H        GLY   1  -0.256   6.924   0.065
    2   1HA   GLY   1          2HA       GLY   1  -2.090   6.161  -1.123
    3   2HA   GLY   1          1HA       GLY   1  -0.926   6.200  -2.441
    4   1HN   SEC   2          H         SEC   2   0.742   4.119  -1.543
    5    HA   SEC   2           HA       SEC   2  -0.592   1.884  -2.622
    6   1HB   SEC   2          1HB       SEC   2   1.954   1.935  -0.987
    7   2HB   SEC   2          2HB       SEC   2   1.864   2.204  -2.727
    8    H    CYS   3           H        CYS   3   0.090   2.882   0.665
    9    HA   CYS   3           HA       CYS   3  -0.861   0.501   1.901
   10   1HB   CYS   3          2HB       CYS   3  -0.644   3.242   3.147
   11   2HB   CYS   3          1HB       CYS   3  -0.608   1.686   3.965
   12    H    SER   4           H        SER   4  -2.446   3.041   0.377
   13    HA   SER   4           HA       SER   4  -4.825   2.965   2.020
   14   1HB   SER   4          2HB       SER   4  -4.399   4.406  -0.572
   15   2HB   SER   4          1HB       SER   4  -5.648   4.726   0.623
   16    HG   SER   4           HG       SER   4  -4.000   5.351   2.069
   17    H    ASP   5           H        ASP   5  -3.658   1.565  -0.938
   18    HA   ASP   5           HA       ASP   5  -6.309   0.714  -1.765
   19   1HB   ASP   5          2HB       ASP   5  -4.653   1.402  -3.463
   20   2HB   ASP   5          1HB       ASP   5  -3.605   0.085  -2.958
   21    HA   PRO   6           HA       PRO   6  -6.404  -2.954   0.691
   22   1HB   PRO   6          2HB       PRO   6  -7.867  -4.006  -1.686
   23   2HB   PRO   6          1HB       PRO   6  -8.310  -4.057   0.024
   24   1HG   PRO   6          2HG       PRO   6  -9.474  -2.317  -1.605
   25   2HG   PRO   6          1HG       PRO   6  -9.018  -1.844   0.043
   26   1HD   PRO   6          2HD       PRO   6  -7.706  -1.183  -2.555
   27   2HD   PRO   6          1HD       PRO   6  -7.882  -0.191  -1.094
   28    H    ARG   7           H        ARG   7  -5.729  -3.465  -2.811
   29    HA   ARG   7           HA       ARG   7  -4.323  -5.906  -2.145
   30   1HB   ARG   7          2HB       ARG   7  -4.209  -6.345  -4.444
   31   2HB   ARG   7          1HB       ARG   7  -5.796  -5.657  -4.174
   32   1HG   ARG   7          2HG       ARG   7  -4.893  -3.465  -4.951
   33   2HG   ARG   7          1HG       ARG   7  -3.401  -4.301  -5.385
   34   1HD   ARG   7          2HD       ARG   7  -4.661  -5.761  -6.895
   35   2HD   ARG   7          1HD       ARG   7  -6.150  -4.927  -6.461
   36    HE   ARG   7           HE       ARG   7  -4.329  -4.129  -8.433
   37   1HH1  ARG   7          1HH1      ARG   7  -6.186  -2.739  -5.821
   38   2HH1  ARG   7          2HH1      ARG   7  -6.230  -1.150  -6.506
   39   1HH2  ARG   7          1HH2      ARG   7  -4.449  -2.041  -9.394
   40   2HH2  ARG   7          2HH2      ARG   7  -5.285  -0.771  -8.565
   41   1HN   SEC   8          H         SEC   8  -3.542  -2.626  -2.476
   42    HA   SEC   8           HA       SEC   8  -0.780  -3.171  -3.223
   43   1HB   SEC   8          1HB       SEC   8  -1.692  -0.470  -2.319
   44   2HB   SEC   8          2HB       SEC   8  -2.287  -1.084  -3.861
   45    H    ALA   9           H        ALA   9  -2.751  -2.470  -0.478
   46    HA   ALA   9           HA       ALA   9  -0.959  -1.605   1.423
   47   1HB   ALA   9          1HB       ALA   9  -2.662  -1.807   2.865
   48   2HB   ALA   9          2HB       ALA   9  -3.001  -3.474   2.400
   49   3HB   ALA   9          3HB       ALA   9  -3.594  -2.144   1.406
   50    H    TRP  10           H        TRP  10  -1.323  -4.896   0.207
   51    HA   TRP  10           HA       TRP  10  -0.112  -6.131   2.412
   52   1HB   TRP  10          2HB       TRP  10   0.029  -8.132   1.166
   53   2HB   TRP  10          1HB       TRP  10  -1.456  -7.341   0.679
   54    HD1  TRP  10           HD       TRP  10   2.145  -7.031  -0.755
   55    HE1  TRP  10           1HE      TRP  10   2.027  -7.506  -3.283
   56    HE3  TRP  10           3HE      TRP  10  -2.850  -8.070  -1.168
   57    HZ2  TRP  10           2HZ      TRP  10   0.088  -8.232  -5.191
   58    HZ3  TRP  10           3HZ      TRP  10  -3.747  -8.659  -3.377
   59    HH2  TRP  10           HH       TRP  10  -2.310  -8.734  -5.348
   60    H    ARG  11           H        ARG  11   1.176  -4.102   0.071
   61    HA   ARG  11           HA       ARG  11   3.924  -5.029   0.588
   62   1HB   ARG  11          2HB       ARG  11   2.879  -3.053  -1.455
   63   2HB   ARG  11          1HB       ARG  11   4.574  -3.454  -1.227
   64   1HG   ARG  11          2HG       ARG  11   4.061  -5.791  -1.830
   65   2HG   ARG  11          1HG       ARG  11   2.395  -5.306  -2.156
   66   1HD   ARG  11          2HD       ARG  11   4.873  -4.300  -3.546
   67   2HD   ARG  11          1HD       ARG  11   3.655  -5.380  -4.220
   68    HE   ARG  11           HE       ARG  11   2.380  -3.027  -3.401
   69   1HH1  ARG  11          1HH1      ARG  11   4.700  -4.087  -5.794
   70   2HH1  ARG  11          2HH1      ARG  11   4.278  -2.861  -6.941
   71   1HH2  ARG  11          1HH2      ARG  11   1.815  -1.397  -4.907
   72   2HH2  ARG  11          2HH2      ARG  11   2.633  -1.326  -6.435
   73    H    CYS  12           H        CYS  12   2.303  -3.734   2.569
   74    HA   CYS  12           HA       CYS  12   4.049  -1.494   3.190
   75   1HB   CYS  12          2HB       CYS  12   2.230  -0.416   1.975
   76   2HB   CYS  12          1HB       CYS  12   1.041  -1.221   2.991
  Start of MODEL    6
    1   1H    GLY   1           H        GLY   1  -0.525   6.974  -2.919
    2   1HA   GLY   1          2HA       GLY   1  -1.556   6.039  -0.469
    3   2HA   GLY   1          1HA       GLY   1  -2.436   6.108  -1.990
    4   1HN   SEC   2          H         SEC   2   0.507   4.294  -1.421
    5    HA   SEC   2           HA       SEC   2  -0.516   1.928  -2.539
    6   1HB   SEC   2          1HB       SEC   2   1.887   2.307  -0.741
    7   2HB   SEC   2          2HB       SEC   2   1.882   2.410  -2.502
    8    H    CYS   3           H        CYS   3  -0.068   2.915   0.813
    9    HA   CYS   3           HA       CYS   3  -1.060   0.452   1.873
   10   1HB   CYS   3          2HB       CYS   3  -0.690   3.109   3.258
   11   2HB   CYS   3          1HB       CYS   3  -0.867   1.539   4.027
   12    H    SER   4           H        SER   4  -2.581   2.966   0.373
   13    HA   SER   4           HA       SER   4  -4.982   2.968   1.992
   14   1HB   SER   4          2HB       SER   4  -4.550   4.309  -0.653
   15   2HB   SER   4          1HB       SER   4  -5.770   4.699   0.552
   16    HG   SER   4           HG       SER   4  -4.173   5.478   1.893
   17    H    ASP   5           H        ASP   5  -3.803   1.707  -1.048
   18    HA   ASP   5           HA       ASP   5  -6.390   0.593  -1.769
   19   1HB   ASP   5          2HB       ASP   5  -4.917   1.537  -3.517
   20   2HB   ASP   5          1HB       ASP   5  -3.683   0.362  -3.101
   21    HA   PRO   6           HA       PRO   6  -5.783  -2.980   0.836
   22   1HB   PRO   6          2HB       PRO   6  -7.552  -4.122  -1.286
   23   2HB   PRO   6          1HB       PRO   6  -7.671  -4.256   0.473
   24   1HG   PRO   6          2HG       PRO   6  -9.236  -2.570  -0.850
   25   2HG   PRO   6          1HG       PRO   6  -8.530  -2.111   0.711
   26   1HD   PRO   6          2HD       PRO   6  -7.794  -1.231  -2.035
   27   2HD   PRO   6          1HD       PRO   6  -7.709  -0.343  -0.500
   28    H    ARG   7           H        ARG   7  -5.551  -3.344  -2.714
   29    HA   ARG   7           HA       ARG   7  -4.139  -5.825  -2.511
   30   1HB   ARG   7          2HB       ARG   7  -3.817  -5.591  -4.924
   31   2HB   ARG   7          1HB       ARG   7  -5.492  -5.343  -4.464
   32   1HG   ARG   7          2HG       ARG   7  -5.052  -2.887  -4.520
   33   2HG   ARG   7          1HG       ARG   7  -3.469  -3.251  -5.203
   34   1HD   ARG   7          2HD       ARG   7  -4.421  -4.154  -7.167
   35   2HD   ARG   7          1HD       ARG   7  -6.034  -4.203  -6.448
   36    HE   ARG   7           HE       ARG   7  -5.207  -1.554  -6.368
   37   1HH1  ARG   7          1HH1      ARG   7  -5.880  -3.952  -8.843
   38   2HH1  ARG   7          2HH1      ARG   7  -6.402  -2.783 -10.007
   39   1HH2  ARG   7          1HH2      ARG   7  -5.884  -0.032  -7.872
   40   2HH2  ARG   7          2HH2      ARG   7  -6.403  -0.527  -9.452
   41   1HN   SEC   8          H         SEC   8  -3.237  -2.483  -2.564
   42    HA   SEC   8           HA       SEC   8  -0.443  -3.144  -3.084
   43   1HB   SEC   8          1HB       SEC   8  -1.356  -0.398  -2.295
   44   2HB   SEC   8          2HB       SEC   8  -1.764  -1.012  -3.898
   45    H    ALA   9           H        ALA   9  -2.620  -2.391  -0.526
   46    HA   ALA   9           HA       ALA   9  -0.908  -1.626   1.524
   47   1HB   ALA   9          1HB       ALA   9  -3.033  -3.158   2.620
   48   2HB   ALA   9          2HB       ALA   9  -3.646  -2.253   1.236
   49   3HB   ALA   9          3HB       ALA   9  -2.846  -1.405   2.560
   50    H    TRP  10           H        TRP  10  -1.572  -4.852   0.272
   51    HA   TRP  10           HA       TRP  10  -0.622  -6.237   2.524
   52   1HB   TRP  10          2HB       TRP  10  -0.728  -8.215   1.276
   53   2HB   TRP  10          1HB       TRP  10  -1.988  -7.211   0.592
   54    HD1  TRP  10           HD       TRP  10   1.787  -7.479  -0.355
   55    HE1  TRP  10           1HE      TRP  10   1.931  -7.986  -2.870
   56    HE3  TRP  10           3HE      TRP  10  -3.219  -7.778  -1.437
   57    HZ2  TRP  10           2HZ      TRP  10   0.179  -8.465  -5.019
   58    HZ3  TRP  10           3HZ      TRP  10  -3.886  -8.282  -3.745
   59    HH2  TRP  10           HH       TRP  10  -2.223  -8.613  -5.499
   60    H    ARG  11           H        ARG  11   0.932  -4.364   0.222
   61    HA   ARG  11           HA       ARG  11   3.569  -5.444   0.968
   62   1HB   ARG  11          2HB       ARG  11   2.959  -5.576  -1.463
   63   2HB   ARG  11          1HB       ARG  11   2.838  -3.824  -1.484
   64   1HG   ARG  11          2HG       ARG  11   5.267  -3.822  -0.696
   65   2HG   ARG  11          1HG       ARG  11   5.281  -5.528  -1.156
   66   1HD   ARG  11          2HD       ARG  11   6.101  -4.021  -2.945
   67   2HD   ARG  11          1HD       ARG  11   4.696  -4.974  -3.421
   68    HE   ARG  11           HE       ARG  11   3.765  -2.543  -2.424
   69   1HH1  ARG  11          1HH1      ARG  11   5.680  -3.685  -5.119
   70   2HH1  ARG  11          2HH1      ARG  11   5.173  -2.422  -6.188
   71   1HH2  ARG  11          1HH2      ARG  11   3.073  -0.878  -3.826
   72   2HH2  ARG  11          2HH2      ARG  11   3.683  -0.817  -5.448
   73    H    CYS  12           H        CYS  12   1.933  -3.595   2.505
   74    HA   CYS  12           HA       CYS  12   3.202  -0.996   2.153
   75   1HB   CYS  12          2HB       CYS  12   0.828  -1.003   2.668
   76   2HB   CYS  12          1HB       CYS  12   1.112  -1.958   4.118
  Start of MODEL    7
    1   1H    GLY   1           H        GLY   1   0.128   7.184   1.379
    2   1HA   GLY   1          2HA       GLY   1  -1.993   6.910   0.482
    3   2HA   GLY   1          1HA       GLY   1  -1.145   7.458  -0.956
    4   1HN   SEC   2          H         SEC   2   0.495   5.080  -1.178
    5    HA   SEC   2           HA       SEC   2  -1.274   3.488  -2.729
    6   1HB   SEC   2          1HB       SEC   2   1.457   2.583  -1.822
    7   2HB   SEC   2          2HB       SEC   2   1.260   3.810  -3.076
    8    H    CYS   3           H        CYS   3  -0.066   3.308   0.522
    9    HA   CYS   3           HA       CYS   3  -0.748   0.616   1.057
   10   1HB   CYS   3          2HB       CYS   3  -0.459   2.934   2.974
   11   2HB   CYS   3          1HB       CYS   3  -0.485   1.232   3.415
   12    H    SER   4           H        SER   4  -2.691   3.247   0.431
   13    HA   SER   4           HA       SER   4  -4.858   2.471   2.188
   14   1HB   SER   4          2HB       SER   4  -4.814   4.547   0.021
   15   2HB   SER   4          1HB       SER   4  -6.051   4.365   1.256
   16    HG   SER   4           HG       SER   4  -4.472   4.864   2.816
   17    H    ASP   5           H        ASP   5  -3.631   1.564  -0.772
   18    HA   ASP   5           HA       ASP   5  -6.155   0.749  -1.957
   19   1HB   ASP   5          2HB       ASP   5  -4.398   1.596  -3.430
   20   2HB   ASP   5          1HB       ASP   5  -3.281   0.384  -2.826
   21    HA   PRO   6           HA       PRO   6  -6.391  -2.976   0.422
   22   1HB   PRO   6          2HB       PRO   6  -7.548  -3.994  -2.139
   23   2HB   PRO   6          1HB       PRO   6  -8.145  -4.163  -0.484
   24   1HG   PRO   6          2HG       PRO   6  -9.224  -2.375  -2.126
   25   2HG   PRO   6          1HG       PRO   6  -8.964  -1.994  -0.414
   26   1HD   PRO   6          2HD       PRO   6  -7.476  -1.055  -2.809
   27   2HD   PRO   6          1HD       PRO   6  -7.775  -0.228  -1.269
   28    H    ARG   7           H        ARG   7  -5.323  -3.494  -2.979
   29    HA   ARG   7           HA       ARG   7  -3.971  -5.914  -2.235
   30   1HB   ARG   7          2HB       ARG   7  -3.385  -6.110  -4.527
   31   2HB   ARG   7          1HB       ARG   7  -5.041  -5.547  -4.454
   32   1HG   ARG   7          2HG       ARG   7  -3.649  -3.206  -4.589
   33   2HG   ARG   7          1HG       ARG   7  -2.682  -4.279  -5.596
   34   1HD   ARG   7          2HD       ARG   7  -4.205  -4.283  -7.224
   35   2HD   ARG   7          1HD       ARG   7  -5.515  -4.586  -6.087
   36    HE   ARG   7           HE       ARG   7  -4.884  -1.936  -5.730
   37   1HH1  ARG   7          1HH1      ARG   7  -5.767  -3.855  -8.533
   38   2HH1  ARG   7          2HH1      ARG   7  -6.707  -2.603  -9.266
   39   1HH2  ARG   7          1HH2      ARG   7  -6.150  -0.288  -6.662
   40   2HH2  ARG   7          2HH2      ARG   7  -6.923  -0.553  -8.198
   41   1HN   SEC   8          H         SEC   8  -3.129  -2.585  -2.419
   42    HA   SEC   8           HA       SEC   8  -0.285  -3.164  -2.562
   43   1HB   SEC   8          1HB       SEC   8  -1.618  -0.479  -2.131
   44   2HB   SEC   8          2HB       SEC   8  -1.298  -1.176  -3.720
   45    H    ALA   9           H        ALA   9  -2.686  -2.910  -0.205
   46    HA   ALA   9           HA       ALA   9  -1.259  -1.827   1.959
   47   1HB   ALA   9          1HB       ALA   9  -3.099  -3.712   2.967
   48   2HB   ALA   9          2HB       ALA   9  -3.824  -2.997   1.526
   49   3HB   ALA   9          3HB       ALA   9  -3.285  -1.961   2.849
   50    H    TRP  10           H        TRP  10  -1.587  -5.166   0.776
   51    HA   TRP  10           HA       TRP  10  -0.189  -6.297   2.952
   52   1HB   TRP  10          2HB       TRP  10  -0.481  -8.345   1.955
   53   2HB   TRP  10          1HB       TRP  10  -1.763  -7.437   1.182
   54    HD1  TRP  10           HD       TRP  10   1.964  -8.190   0.282
   55    HE1  TRP  10           1HE      TRP  10   2.045  -8.886  -2.189
   56    HE3  TRP  10           3HE      TRP  10  -3.016  -7.755  -0.876
   57    HZ2  TRP  10           2HZ      TRP  10   0.257  -9.223  -4.334
   58    HZ3  TRP  10           3HZ      TRP  10  -3.735  -8.303  -3.155
   59    HH2  TRP  10           HH       TRP  10  -2.134  -9.017  -4.850
   60    H    ARG  11           H        ARG  11   0.734  -4.740   0.043
   61    HA   ARG  11           HA       ARG  11   3.547  -5.496   0.338
   62   1HB   ARG  11          2HB       ARG  11   2.470  -5.476  -1.940
   63   2HB   ARG  11          1HB       ARG  11   2.247  -3.742  -1.770
   64   1HG   ARG  11          2HG       ARG  11   4.741  -3.545  -1.525
   65   2HG   ARG  11          1HG       ARG  11   4.843  -5.248  -1.971
   66   1HD   ARG  11          2HD       ARG  11   5.209  -3.802  -3.906
   67   2HD   ARG  11          1HD       ARG  11   3.747  -4.769  -4.100
   68    HE   ARG  11           HE       ARG  11   3.101  -2.261  -2.970
   69   1HH1  ARG  11          1HH1      ARG  11   4.053  -3.711  -6.017
   70   2HH1  ARG  11          2HH1      ARG  11   3.343  -2.463  -6.981
   71   1HH2  ARG  11          1HH2      ARG  11   2.161  -0.608  -4.245
   72   2HH2  ARG  11          2HH2      ARG  11   2.269  -0.693  -5.973
   73    H    CYS  12           H        CYS  12   2.475  -4.100   2.438
   74    HA   CYS  12           HA       CYS  12   4.057  -1.666   2.394
   75   1HB   CYS  12          2HB       CYS  12   1.878  -0.860   1.650
   76   2HB   CYS  12          1HB       CYS  12   1.090  -1.659   3.004
  Start of MODEL    8
    1   1H    GLY   1           H        GLY   1  -3.142   5.662  -3.106
    2   1HA   GLY   1          2HA       GLY   1  -0.515   6.106  -1.972
    3   2HA   GLY   1          1HA       GLY   1  -1.822   6.039  -0.797
    4   1HN   SEC   2          H         SEC   2   0.544   4.236  -1.666
    5    HA   SEC   2           HA       SEC   2  -0.534   1.829  -2.632
    6   1HB   SEC   2          1HB       SEC   2   1.923   2.257  -0.920
    7   2HB   SEC   2          2HB       SEC   2   1.873   2.309  -2.682
    8    H    CYS   3           H        CYS   3   0.085   2.939   0.658
    9    HA   CYS   3           HA       CYS   3  -0.877   0.567   1.901
   10   1HB   CYS   3          2HB       CYS   3  -0.638   3.310   3.136
   11   2HB   CYS   3          1HB       CYS   3  -0.621   1.758   3.961
   12    H    SER   4           H        SER   4  -2.455   3.062   0.340
   13    HA   SER   4           HA       SER   4  -4.838   3.040   1.976
   14   1HB   SER   4          2HB       SER   4  -4.451   4.387  -0.670
   15   2HB   SER   4          1HB       SER   4  -5.641   4.777   0.564
   16    HG   SER   4           HG       SER   4  -4.127   5.740   1.751
   17    H    ASP   5           H        ASP   5  -3.661   1.615  -0.975
   18    HA   ASP   5           HA       ASP   5  -6.293   0.679  -1.760
   19   1HB   ASP   5          2HB       ASP   5  -4.722   1.385  -3.500
   20   2HB   ASP   5          1HB       ASP   5  -3.569   0.171  -2.964
   21    HA   PRO   6           HA       PRO   6  -6.210  -2.969   0.724
   22   1HB   PRO   6          2HB       PRO   6  -7.728  -4.529  -1.025
   23   2HB   PRO   6          1HB       PRO   6  -8.356  -3.480   0.249
   24   1HG   PRO   6          2HG       PRO   6  -8.065  -2.952  -2.673
   25   2HG   PRO   6          1HG       PRO   6  -9.358  -2.457  -1.563
   26   1HD   PRO   6          2HD       PRO   6  -7.500  -0.720  -2.377
   27   2HD   PRO   6          1HD       PRO   6  -8.110  -0.689  -0.708
   28    H    ARG   7           H        ARG   7  -5.553  -3.351  -2.770
   29    HA   ARG   7           HA       ARG   7  -4.215  -5.860  -2.291
   30   1HB   ARG   7          2HB       ARG   7  -4.384  -6.219  -4.484
   31   2HB   ARG   7          1HB       ARG   7  -5.520  -4.884  -4.432
   32   1HG   ARG   7          2HG       ARG   7  -3.304  -3.478  -4.826
   33   2HG   ARG   7          1HG       ARG   7  -2.772  -5.004  -5.535
   34   1HD   ARG   7          2HD       ARG   7  -3.699  -3.877  -7.339
   35   2HD   ARG   7          1HD       ARG   7  -5.007  -4.934  -6.809
   36    HE   ARG   7           HE       ARG   7  -5.194  -2.425  -5.503
   37   1HH1  ARG   7          1HH1      ARG   7  -5.750  -3.945  -8.616
   38   2HH1  ARG   7          2HH1      ARG   7  -6.908  -2.766  -9.128
   39   1HH2  ARG   7          1HH2      ARG   7  -6.686  -0.860  -6.168
   40   2HH2  ARG   7          2HH2      ARG   7  -7.450  -1.001  -7.730
   41   1HN   SEC   8          H         SEC   8  -3.326  -2.525  -2.553
   42    HA   SEC   8           HA       SEC   8  -0.523  -3.201  -2.945
   43   1HB   SEC   8          1HB       SEC   8  -1.389  -0.423  -2.269
   44   2HB   SEC   8          2HB       SEC   8  -1.872  -1.087  -3.830
   45    H    ALA   9           H        ALA   9  -2.747  -2.810  -0.448
   46    HA   ALA   9           HA       ALA   9  -1.226  -1.767   1.645
   47   1HB   ALA   9          1HB       ALA   9  -3.341  -1.859   2.376
   48   2HB   ALA   9          2HB       ALA   9  -2.908  -3.481   2.920
   49   3HB   ALA   9          3HB       ALA   9  -3.732  -3.258   1.375
   50    H    TRP  10           H        TRP  10  -1.407  -5.059   0.360
   51    HA   TRP  10           HA       TRP  10  -0.045  -6.247   2.520
   52   1HB   TRP  10          2HB       TRP  10  -0.079  -8.247   1.347
   53   2HB   TRP  10          1HB       TRP  10  -1.465  -7.405   0.689
   54    HD1  TRP  10           HD       TRP  10   2.287  -7.563  -0.376
   55    HE1  TRP  10           1HE      TRP  10   2.367  -8.073  -2.893
   56    HE3  TRP  10           3HE      TRP  10  -2.748  -7.868  -1.335
   57    HZ2  TRP  10           2HZ      TRP  10   0.563  -8.549  -4.997
   58    HZ3  TRP  10           3HZ      TRP  10  -3.469  -8.371  -3.626
   59    HH2  TRP  10           HH       TRP  10  -1.849  -8.700  -5.419
   60    H    ARG  11           H        ARG  11   0.941  -4.208   0.064
   61    HA   ARG  11           HA       ARG  11   3.771  -4.971   0.239
   62   1HB   ARG  11          2HB       ARG  11   2.307  -2.993  -1.524
   63   2HB   ARG  11          1HB       ARG  11   4.045  -3.239  -1.553
   64   1HG   ARG  11          2HG       ARG  11   3.881  -5.269  -2.598
   65   2HG   ARG  11          1HG       ARG  11   2.254  -5.575  -1.984
   66   1HD   ARG  11          2HD       ARG  11   2.484  -5.024  -4.466
   67   2HD   ARG  11          1HD       ARG  11   1.269  -4.138  -3.549
   68    HE   ARG  11           HE       ARG  11   2.387  -2.213  -4.008
   69   1HH1  ARG  11          1HH1      ARG  11   4.603  -4.878  -4.522
   70   2HH1  ARG  11          2HH1      ARG  11   5.892  -3.867  -5.081
   71   1HH2  ARG  11          1HH2      ARG  11   4.080  -0.878  -4.740
   72   2HH2  ARG  11          2HH2      ARG  11   5.594  -1.581  -5.206
   73    H    CYS  12           H        CYS  12   2.146  -3.703   2.393
   74    HA   CYS  12           HA       CYS  12   3.975  -1.526   3.002
   75   1HB   CYS  12          2HB       CYS  12   2.179  -0.355   1.862
   76   2HB   CYS  12          1HB       CYS  12   0.973  -1.170   2.850
  Start of MODEL    9
    1   1H    GLY   1           H        GLY   1   0.140   6.962  -2.492
    2   1HA   GLY   1          2HA       GLY   1  -1.070   6.068  -0.091
    3   2HA   GLY   1          1HA       GLY   1  -1.881   6.296  -1.635
    4   1HN   SEC   2          H         SEC   2   0.843   4.171  -1.057
    5    HA   SEC   2           HA       SEC   2  -0.389   1.972  -2.316
    6   1HB   SEC   2          1HB       SEC   2   2.014   2.021  -0.479
    7   2HB   SEC   2          2HB       SEC   2   2.048   2.243  -2.229
    8    H    CYS   3           H        CYS   3   0.013   2.844   1.063
    9    HA   CYS   3           HA       CYS   3  -1.102   0.435   2.101
   10   1HB   CYS   3          2HB       CYS   3  -0.488   3.127   3.287
   11   2HB   CYS   3          1HB       CYS   3  -1.363   1.915   4.210
   12    H    SER   4           H        SER   4  -2.493   3.011   0.492
   13    HA   SER   4           HA       SER   4  -5.004   2.980   1.930
   14   1HB   SER   4          2HB       SER   4  -4.355   4.396  -0.631
   15   2HB   SER   4          1HB       SER   4  -5.676   4.753   0.474
   16    HG   SER   4           HG       SER   4  -4.174   5.438   1.993
   17    H    ASP   5           H        ASP   5  -3.584   1.568  -0.898
   18    HA   ASP   5           HA       ASP   5  -6.148   0.702  -1.956
   19   1HB   ASP   5          2HB       ASP   5  -4.342   1.403  -3.498
   20   2HB   ASP   5          1HB       ASP   5  -3.348   0.079  -2.905
   21    HA   PRO   6           HA       PRO   6  -6.393  -2.947   0.524
   22   1HB   PRO   6          2HB       PRO   6  -7.706  -4.024  -1.926
   23   2HB   PRO   6          1HB       PRO   6  -8.257  -4.046  -0.247
   24   1HG   PRO   6          2HG       PRO   6  -9.310  -2.334  -1.982
   25   2HG   PRO   6          1HG       PRO   6  -8.970  -1.838  -0.313
   26   1HD   PRO   6          2HD       PRO   6  -7.479  -1.210  -2.821
   27   2HD   PRO   6          1HD       PRO   6  -7.760  -0.198  -1.390
   28    H    ARG   7           H        ARG   7  -5.492  -3.443  -2.923
   29    HA   ARG   7           HA       ARG   7  -4.146  -5.895  -2.196
   30   1HB   ARG   7          2HB       ARG   7  -3.913  -6.328  -4.469
   31   2HB   ARG   7          1HB       ARG   7  -5.474  -5.546  -4.333
   32   1HG   ARG   7          2HG       ARG   7  -4.403  -3.418  -5.032
   33   2HG   ARG   7          1HG       ARG   7  -2.908  -4.314  -5.305
   34   1HD   ARG   7          2HD       ARG   7  -4.060  -5.730  -6.940
   35   2HD   ARG   7          1HD       ARG   7  -5.551  -4.831  -6.666
   36    HE   ARG   7           HE       ARG   7  -3.489  -4.116  -8.427
   37   1HH1  ARG   7          1HH1      ARG   7  -5.585  -2.656  -6.046
   38   2HH1  ARG   7          2HH1      ARG   7  -5.504  -1.070  -6.735
   39   1HH2  ARG   7          1HH2      ARG   7  -3.426  -2.029  -9.397
   40   2HH2  ARG   7          2HH2      ARG   7  -4.310  -0.729  -8.671
   41   1HN   SEC   8          H         SEC   8  -3.318  -2.608  -2.442
   42    HA   SEC   8           HA       SEC   8  -0.514  -3.178  -2.981
   43   1HB   SEC   8          1HB       SEC   8  -1.493  -0.469  -2.148
   44   2HB   SEC   8          2HB       SEC   8  -1.911  -1.076  -3.750
   45    H    ALA   9           H        ALA   9  -2.660  -2.433  -0.360
   46    HA   ALA   9           HA       ALA   9  -0.946  -1.623   1.645
   47   1HB   ALA   9          1HB       ALA   9  -3.626  -2.731   1.480
   48   2HB   ALA   9          2HB       ALA   9  -2.986  -1.451   2.509
   49   3HB   ALA   9          3HB       ALA   9  -2.800  -3.139   2.985
   50    H    TRP  10           H        TRP  10  -1.579  -4.948   0.550
   51    HA   TRP  10           HA       TRP  10  -0.352  -6.205   2.730
   52   1HB   TRP  10          2HB       TRP  10  -0.490  -8.233   1.564
   53   2HB   TRP  10          1HB       TRP  10  -1.853  -7.299   0.986
   54    HD1  TRP  10           HD       TRP  10   1.814  -7.487  -0.334
   55    HE1  TRP  10           1HE      TRP  10   1.717  -8.056  -2.839
   56    HE3  TRP  10           3HE      TRP  10  -3.258  -7.938  -0.888
   57    HZ2  TRP  10           2HZ      TRP  10  -0.231  -8.631  -4.786
   58    HZ3  TRP  10           3HZ      TRP  10  -4.147  -8.513  -3.105
   59    HH2  TRP  10           HH       TRP  10  -2.665  -8.850  -5.013
   60    H    ARG  11           H        ARG  11   0.954  -4.441   0.169
   61    HA   ARG  11           HA       ARG  11   3.669  -5.366   0.851
   62   1HB   ARG  11          2HB       ARG  11   2.860  -5.849  -1.515
   63   2HB   ARG  11          1HB       ARG  11   2.821  -4.111  -1.767
   64   1HG   ARG  11          2HG       ARG  11   5.287  -4.157  -1.058
   65   2HG   ARG  11          1HG       ARG  11   5.185  -5.896  -1.340
   66   1HD   ARG  11          2HD       ARG  11   5.917  -5.130  -3.391
   67   2HD   ARG  11          1HD       ARG  11   4.173  -5.194  -3.634
   68    HE   ARG  11           HE       ARG  11   5.848  -2.847  -3.564
   69   1HH1  ARG  11          1HH1      ARG  11   2.553  -4.035  -3.365
   70   2HH1  ARG  11          2HH1      ARG  11   1.845  -2.473  -3.609
   71   1HH2  ARG  11          1HH2      ARG  11   4.899  -0.796  -3.912
   72   2HH2  ARG  11          2HH2      ARG  11   3.173  -0.642  -3.925
   73    H    CYS  12           H        CYS  12   2.293  -3.490   2.353
   74    HA   CYS  12           HA       CYS  12   3.966  -1.139   1.977
   75   1HB   CYS  12          2HB       CYS  12   1.892  -0.650   0.711
   76   2HB   CYS  12          1HB       CYS  12   0.948  -0.949   2.165
  Start of MODEL   10
    1   1H    GLY   1           H        GLY   1  -2.588   6.101   0.089
    2   1HA   GLY   1          2HA       GLY   1  -1.537   6.469  -2.267
    3   2HA   GLY   1          1HA       GLY   1  -0.041   6.279  -1.366
    4   1HN   SEC   2          H         SEC   2   0.785   4.339  -1.580
    5    HA   SEC   2           HA       SEC   2  -0.520   2.117  -2.642
    6   1HB   SEC   2          1HB       SEC   2   2.012   2.327  -1.006
    7   2HB   SEC   2          2HB       SEC   2   1.877   2.295  -2.763
    8    H    CYS   3           H        CYS   3   0.075   3.014   0.700
    9    HA   CYS   3           HA       CYS   3  -0.907   0.598   1.825
   10   1HB   CYS   3          2HB       CYS   3  -0.678   3.299   3.153
   11   2HB   CYS   3          1HB       CYS   3  -0.718   1.726   3.938
   12    H    SER   4           H        SER   4  -2.508   3.095   0.307
   13    HA   SER   4           HA       SER   4  -4.893   2.999   1.949
   14   1HB   SER   4          2HB       SER   4  -4.459   4.420  -0.656
   15   2HB   SER   4          1HB       SER   4  -5.773   4.695   0.480
   16    HG   SER   4           HG       SER   4  -4.239   5.427   1.983
   17    H    ASP   5           H        ASP   5  -3.683   1.579  -0.981
   18    HA   ASP   5           HA       ASP   5  -6.307   0.638  -1.791
   19   1HB   ASP   5          2HB       ASP   5  -4.703   1.332  -3.516
   20   2HB   ASP   5          1HB       ASP   5  -3.576   0.100  -2.966
   21    HA   PRO   6           HA       PRO   6  -6.240  -2.975   0.756
   22   1HB   PRO   6          2HB       PRO   6  -7.773  -4.119  -1.530
   23   2HB   PRO   6          1HB       PRO   6  -8.158  -4.110   0.195
   24   1HG   PRO   6          2HG       PRO   6  -9.402  -2.454  -1.465
   25   2HG   PRO   6          1HG       PRO   6  -8.909  -1.912   0.150
   26   1HD   PRO   6          2HD       PRO   6  -7.674  -1.332  -2.506
   27   2HD   PRO   6          1HD       PRO   6  -7.843  -0.283  -1.085
   28    H    ARG   7           H        ARG   7  -5.588  -3.385  -2.734
   29    HA   ARG   7           HA       ARG   7  -4.235  -5.883  -2.236
   30   1HB   ARG   7          2HB       ARG   7  -4.457  -6.284  -4.411
   31   2HB   ARG   7          1HB       ARG   7  -5.573  -4.932  -4.376
   32   1HG   ARG   7          2HG       ARG   7  -3.342  -3.567  -4.825
   33   2HG   ARG   7          1HG       ARG   7  -2.840  -5.115  -5.506
   34   1HD   ARG   7          2HD       ARG   7  -3.770  -4.017  -7.325
   35   2HD   ARG   7          1HD       ARG   7  -5.092  -5.038  -6.756
   36    HE   ARG   7           HE       ARG   7  -5.225  -2.501  -5.502
   37   1HH1  ARG   7          1HH1      ARG   7  -5.826  -4.066  -8.585
   38   2HH1  ARG   7          2HH1      ARG   7  -6.959  -2.870  -9.115
   39   1HH2  ARG   7          1HH2      ARG   7  -6.682  -0.915  -6.192
   40   2HH2  ARG   7          2HH2      ARG   7  -7.455  -1.069  -7.748
   41   1HN   SEC   8          H         SEC   8  -3.370  -2.551  -2.510
   42    HA   SEC   8           HA       SEC   8  -0.575  -3.198  -2.993
   43   1HB   SEC   8          1HB       SEC   8  -1.482  -0.444  -2.247
   44   2HB   SEC   8          2HB       SEC   8  -1.944  -1.092  -3.823
   45    H    ALA   9           H        ALA   9  -2.739  -2.708  -0.419
   46    HA   ALA   9           HA       ALA   9  -1.112  -1.760   1.629
   47   1HB   ALA   9          1HB       ALA   9  -3.472  -1.823   1.933
   48   2HB   ALA   9          2HB       ALA   9  -2.752  -2.882   3.147
   49   3HB   ALA   9          3HB       ALA   9  -3.512  -3.572   1.713
   50    H    TRP  10           H        TRP  10  -1.395  -5.010   0.289
   51    HA   TRP  10           HA       TRP  10  -0.129  -6.320   2.428
   52   1HB   TRP  10          2HB       TRP  10  -0.040  -8.262   1.106
   53   2HB   TRP  10          1HB       TRP  10  -1.491  -7.430   0.587
   54    HD1  TRP  10           HD       TRP  10   2.178  -7.117  -0.700
   55    HE1  TRP  10           1HE      TRP  10   2.155  -7.500  -3.241
   56    HE3  TRP  10           3HE      TRP  10  -2.817  -8.090  -1.360
   57    HZ2  TRP  10           2HZ      TRP  10   0.296  -8.140  -5.251
   58    HZ3  TRP  10           3HZ      TRP  10  -3.618  -8.592  -3.623
   59    HH2  TRP  10           HH       TRP  10  -2.097  -8.611  -5.530
   60    H    ARG  11           H        ARG  11   1.022  -4.258   0.020
   61    HA   ARG  11           HA       ARG  11   3.810  -5.078   0.442
   62   1HB   ARG  11          2HB       ARG  11   2.926  -4.822  -1.904
   63   2HB   ARG  11          1HB       ARG  11   2.698  -3.113  -1.574
   64   1HG   ARG  11          2HG       ARG  11   5.124  -2.906  -1.160
   65   2HG   ARG  11          1HG       ARG  11   5.314  -4.603  -1.608
   66   1HD   ARG  11          2HD       ARG  11   4.464  -4.145  -3.828
   67   2HD   ARG  11          1HD       ARG  11   4.148  -2.468  -3.390
   68    HE   ARG  11           HE       ARG  11   6.322  -2.002  -3.841
   69   1HH1  ARG  11          1HH1      ARG  11   6.080  -5.441  -3.232
   70   2HH1  ARG  11          2HH1      ARG  11   7.752  -5.753  -3.563
   71   1HH2  ARG  11          1HH2      ARG  11   8.531  -2.404  -4.284
   72   2HH2  ARG  11          2HH2      ARG  11   9.151  -4.018  -4.165
   73    H    CYS  12           H        CYS  12   2.244  -3.780   2.460
   74    HA   CYS  12           HA       CYS  12   3.961  -1.495   2.973
   75   1HB   CYS  12          2HB       CYS  12   2.125  -0.386   1.873
   76   2HB   CYS  12          1HB       CYS  12   0.947  -1.281   2.827
  Start of MODEL   11
    1   1H    GLY   1           H        GLY   1  -2.729   5.946  -2.606
    2   1HA   GLY   1          2HA       GLY   1  -0.210   6.181  -1.196
    3   2HA   GLY   1          1HA       GLY   1  -1.632   6.104  -0.163
    4   1HN   SEC   2          H         SEC   2   0.732   4.245  -0.931
    5    HA   SEC   2           HA       SEC   2  -0.347   1.962  -2.157
    6   1HB   SEC   2          1HB       SEC   2   1.946   2.157  -0.194
    7   2HB   SEC   2          2HB       SEC   2   2.070   2.329  -1.945
    8    H    CYS   3           H        CYS   3  -0.133   2.913   1.226
    9    HA   CYS   3           HA       CYS   3  -1.220   0.489   2.252
   10   1HB   CYS   3          2HB       CYS   3  -0.862   3.231   3.454
   11   2HB   CYS   3          1HB       CYS   3  -1.580   1.896   4.340
   12    H    SER   4           H        SER   4  -2.613   3.061   0.594
   13    HA   SER   4           HA       SER   4  -5.189   2.916   1.898
   14   1HB   SER   4          2HB       SER   4  -4.458   4.410  -0.594
   15   2HB   SER   4          1HB       SER   4  -5.843   4.699   0.449
   16    HG   SER   4           HG       SER   4  -4.550   5.577   1.954
   17    H    ASP   5           H        ASP   5  -3.579   1.587  -0.862
   18    HA   ASP   5           HA       ASP   5  -6.059   0.691  -2.083
   19   1HB   ASP   5          2HB       ASP   5  -4.150   1.443  -3.490
   20   2HB   ASP   5          1HB       ASP   5  -3.208   0.090  -2.878
   21    HA   PRO   6           HA       PRO   6  -6.373  -2.967   0.379
   22   1HB   PRO   6          2HB       PRO   6  -7.586  -4.024  -2.131
   23   2HB   PRO   6          1HB       PRO   6  -8.196  -4.077  -0.473
   24   1HG   PRO   6          2HG       PRO   6  -9.204  -2.347  -2.216
   25   2HG   PRO   6          1HG       PRO   6  -8.923  -1.872  -0.531
   26   1HD   PRO   6          2HD       PRO   6  -7.355  -1.196  -2.978
   27   2HD   PRO   6          1HD       PRO   6  -7.689  -0.208  -1.542
   28    H    ARG   7           H        ARG   7  -5.304  -3.391  -3.026
   29    HA   ARG   7           HA       ARG   7  -4.002  -5.863  -2.284
   30   1HB   ARG   7          2HB       ARG   7  -3.648  -6.246  -4.550
   31   2HB   ARG   7          1HB       ARG   7  -5.218  -5.476  -4.474
   32   1HG   ARG   7          2HG       ARG   7  -4.140  -3.331  -5.086
   33   2HG   ARG   7          1HG       ARG   7  -2.617  -4.201  -5.288
   34   1HD   ARG   7          2HD       ARG   7  -3.660  -5.611  -7.003
   35   2HD   ARG   7          1HD       ARG   7  -5.172  -4.727  -6.807
   36    HE   ARG   7           HE       ARG   7  -3.009  -3.973  -8.430
   37   1HH1  ARG   7          1HH1      ARG   7  -5.278  -2.566  -6.179
   38   2HH1  ARG   7          2HH1      ARG   7  -5.169  -0.970  -6.841
   39   1HH2  ARG   7          1HH2      ARG   7  -2.909  -1.874  -9.370
   40   2HH2  ARG   7          2HH2      ARG   7  -3.855  -0.592  -8.689
   41   1HN   SEC   8          H         SEC   8  -3.139  -2.567  -2.467
   42    HA   SEC   8           HA       SEC   8  -0.312  -3.164  -2.839
   43   1HB   SEC   8          1HB       SEC   8  -1.334  -0.448  -2.072
   44   2HB   SEC   8          2HB       SEC   8  -1.618  -1.053  -3.704
   45    H    ALA   9           H        ALA   9  -2.593  -2.346  -0.343
   46    HA   ALA   9           HA       ALA   9  -0.938  -1.592   1.746
   47   1HB   ALA   9          1HB       ALA   9  -3.516  -1.674   1.561
   48   2HB   ALA   9          2HB       ALA   9  -2.753  -1.884   3.137
   49   3HB   ALA   9          3HB       ALA   9  -3.344  -3.288   2.249
   50    H    TRP  10           H        TRP  10  -1.754  -4.885   0.664
   51    HA   TRP  10           HA       TRP  10  -0.688  -6.195   2.891
   52   1HB   TRP  10          2HB       TRP  10  -0.960  -8.218   1.757
   53   2HB   TRP  10          1HB       TRP  10  -2.207  -7.186   1.087
   54    HD1  TRP  10           HD       TRP  10   1.496  -7.682  -0.047
   55    HE1  TRP  10           1HE      TRP  10   1.476  -8.328  -2.533
   56    HE3  TRP  10           3HE      TRP  10  -3.566  -7.820  -0.833
   57    HZ2  TRP  10           2HZ      TRP  10  -0.413  -8.846  -4.552
   58    HZ3  TRP  10           3HZ      TRP  10  -4.386  -8.418  -3.068
   59    HH2  TRP  10           HH       TRP  10  -2.843  -8.916  -4.891
   60    H    ARG  11           H        ARG  11   0.846  -4.559   0.368
   61    HA   ARG  11           HA       ARG  11   3.455  -5.546   1.297
   62   1HB   ARG  11          2HB       ARG  11   2.846  -6.527  -0.933
   63   2HB   ARG  11          1HB       ARG  11   2.760  -4.896  -1.580
   64   1HG   ARG  11          2HG       ARG  11   5.262  -4.970  -0.442
   65   2HG   ARG  11          1HG       ARG  11   5.069  -6.598  -1.102
   66   1HD   ARG  11          2HD       ARG  11   6.064  -5.037  -2.732
   67   2HD   ARG  11          1HD       ARG  11   4.515  -5.683  -3.278
   68    HE   ARG  11           HE       ARG  11   4.121  -3.247  -1.896
   69   1HH1  ARG  11          1HH1      ARG  11   5.362  -4.460  -4.938
   70   2HH1  ARG  11          2HH1      ARG  11   4.953  -3.031  -5.823
   71   1HH2  ARG  11          1HH2      ARG  11   3.566  -1.369  -3.053
   72   2HH2  ARG  11          2HH2      ARG  11   3.925  -1.261  -4.745
   73    H    CYS  12           H        CYS  12   2.080  -3.332   2.268
   74    HA   CYS  12           HA       CYS  12   3.210  -0.998   0.929
   75   1HB   CYS  12          2HB       CYS  12   0.836  -1.023   1.767
   76   2HB   CYS  12          1HB       CYS  12   1.478  -1.064   3.406
  Start of MODEL   12
    1   1H    GLY   1           H        GLY   1   0.297   6.785  -2.577
    2   1HA   GLY   1          2HA       GLY   1  -0.922   6.010  -0.112
    3   2HA   GLY   1          1HA       GLY   1  -1.740   6.245  -1.652
    4   1HN   SEC   2          H         SEC   2   0.933   4.055  -1.080
    5    HA   SEC   2           HA       SEC   2  -0.373   1.879  -2.305
    6   1HB   SEC   2          1HB       SEC   2   2.040   1.828  -0.481
    7   2HB   SEC   2          2HB       SEC   2   2.089   2.129  -2.217
    8    H    CYS   3           H        CYS   3   0.058   2.803   1.050
    9    HA   CYS   3           HA       CYS   3  -1.078   0.427   2.146
   10   1HB   CYS   3          2HB       CYS   3  -0.409   3.133   3.261
   11   2HB   CYS   3          1HB       CYS   3  -1.329   1.980   4.216
   12    H    SER   4           H        SER   4  -2.453   2.968   0.472
   13    HA   SER   4           HA       SER   4  -4.950   3.012   1.934
   14   1HB   SER   4          2HB       SER   4  -4.305   4.347  -0.670
   15   2HB   SER   4          1HB       SER   4  -5.616   4.747   0.432
   16    HG   SER   4           HG       SER   4  -4.090   5.445   1.930
   17    H    ASP   5           H        ASP   5  -3.627   1.606  -0.981
   18    HA   ASP   5           HA       ASP   5  -6.228   0.697  -1.886
   19   1HB   ASP   5          2HB       ASP   5  -4.593   1.424  -3.550
   20   2HB   ASP   5          1HB       ASP   5  -3.464   0.197  -2.990
   21    HA   PRO   6           HA       PRO   6  -6.274  -3.000   0.541
   22   1HB   PRO   6          2HB       PRO   6  -7.716  -4.049  -1.849
   23   2HB   PRO   6          1HB       PRO   6  -8.164  -4.117  -0.140
   24   1HG   PRO   6          2HG       PRO   6  -9.345  -2.385  -1.769
   25   2HG   PRO   6          1HG       PRO   6  -8.910  -1.918  -0.113
   26   1HD   PRO   6          2HD       PRO   6  -7.588  -1.213  -2.694
   27   2HD   PRO   6          1HD       PRO   6  -7.792  -0.238  -1.225
   28    H    ARG   7           H        ARG   7  -5.591  -3.454  -2.964
   29    HA   ARG   7           HA       ARG   7  -4.184  -5.903  -2.372
   30   1HB   ARG   7          2HB       ARG   7  -4.049  -6.252  -4.675
   31   2HB   ARG   7          1HB       ARG   7  -5.609  -5.491  -4.438
   32   1HG   ARG   7          2HG       ARG   7  -4.588  -3.328  -5.089
   33   2HG   ARG   7          1HG       ARG   7  -3.096  -4.192  -5.460
   34   1HD   ARG   7          2HD       ARG   7  -4.345  -3.845  -7.490
   35   2HD   ARG   7          1HD       ARG   7  -4.333  -5.562  -7.095
   36    HE   ARG   7           HE       ARG   7  -6.596  -5.459  -7.120
   37   1HH1  ARG   7          1HH1      ARG   7  -5.438  -2.314  -6.084
   38   2HH1  ARG   7          2HH1      ARG   7  -7.022  -1.622  -5.977
   39   1HH2  ARG   7          1HH2      ARG   7  -8.692  -4.530  -7.005
   40   2HH2  ARG   7          2HH2      ARG   7  -8.868  -2.876  -6.524
   41   1HN   SEC   8          H         SEC   8  -3.381  -2.721  -2.180
   42    HA   SEC   8           HA       SEC   8  -0.589  -3.190  -2.954
   43   1HB   SEC   8          1HB       SEC   8  -1.569  -0.498  -2.095
   44   2HB   SEC   8          2HB       SEC   8  -2.062  -1.110  -3.674
   45    H    ALA   9           H        ALA   9  -2.695  -2.407  -0.299
   46    HA   ALA   9           HA       ALA   9  -0.970  -1.590   1.672
   47   1HB   ALA   9          1HB       ALA   9  -3.647  -2.595   1.519
   48   2HB   ALA   9          2HB       ALA   9  -2.928  -1.486   2.688
   49   3HB   ALA   9          3HB       ALA   9  -2.839  -3.228   2.953
   50    H    TRP  10           H        TRP  10  -1.562  -4.942   0.628
   51    HA   TRP  10           HA       TRP  10  -0.241  -6.098   2.819
   52   1HB   TRP  10          2HB       TRP  10  -0.607  -8.147   1.867
   53   2HB   TRP  10          1HB       TRP  10  -1.833  -7.196   1.058
   54    HD1  TRP  10           HD       TRP  10   1.844  -8.212   0.244
   55    HE1  TRP  10           1HE      TRP  10   1.925  -8.958  -2.213
   56    HE3  TRP  10           3HE      TRP  10  -3.065  -7.447  -1.023
   57    HZ2  TRP  10           2HZ      TRP  10   0.163  -9.201  -4.392
   58    HZ3  TRP  10           3HZ      TRP  10  -3.776  -7.980  -3.311
   59    HH2  TRP  10           HH       TRP  10  -2.197  -8.836  -4.961
   60    H    ARG  11           H        ARG  11   0.940  -4.361   0.211
   61    HA   ARG  11           HA       ARG  11   3.689  -5.314   0.712
   62   1HB   ARG  11          2HB       ARG  11   2.479  -4.115  -1.786
   63   2HB   ARG  11          1HB       ARG  11   4.209  -4.294  -1.544
   64   1HG   ARG  11          2HG       ARG  11   4.045  -6.659  -1.530
   65   2HG   ARG  11          1HG       ARG  11   2.283  -6.596  -1.466
   66   1HD   ARG  11          2HD       ARG  11   3.957  -5.564  -3.755
   67   2HD   ARG  11          1HD       ARG  11   3.183  -7.147  -3.716
   68    HE   ARG  11           HE       ARG  11   1.107  -6.131  -3.999
   69   1HH1  ARG  11          1HH1      ARG  11   3.649  -3.723  -3.811
   70   2HH1  ARG  11          2HH1      ARG  11   2.623  -2.419  -4.311
   71   1HH2  ARG  11          1HH2      ARG  11  -0.240  -4.414  -4.672
   72   2HH2  ARG  11          2HH2      ARG  11   0.417  -2.814  -4.815
   73    H    CYS  12           H        CYS  12   2.223  -3.440   2.292
   74    HA   CYS  12           HA       CYS  12   4.004  -1.150   2.068
   75   1HB   CYS  12          2HB       CYS  12   2.045  -0.528   0.706
   76   2HB   CYS  12          1HB       CYS  12   0.989  -0.864   2.070
  Start of MODEL   13
    1   1H    GLY   1           H        GLY   1   0.129   6.869  -2.668
    2   1HA   GLY   1          2HA       GLY   1  -1.193   6.070  -0.272
    3   2HA   GLY   1          1HA       GLY   1  -1.929   6.237  -1.860
    4   1HN   SEC   2          H         SEC   2   0.806   4.188  -1.098
    5    HA   SEC   2           HA       SEC   2  -0.342   1.928  -2.337
    6   1HB   SEC   2          1HB       SEC   2   2.003   2.053  -0.430
    7   2HB   SEC   2          2HB       SEC   2   2.094   2.280  -2.177
    8    H    CYS   3           H        CYS   3   0.007   2.865   1.037
    9    HA   CYS   3           HA       CYS   3  -1.160   0.469   2.070
   10   1HB   CYS   3          2HB       CYS   3  -0.449   3.130   3.268
   11   2HB   CYS   3          1HB       CYS   3  -1.387   1.959   4.183
   12    H    SER   4           H        SER   4  -2.499   2.969   0.382
   13    HA   SER   4           HA       SER   4  -4.988   3.111   1.856
   14   1HB   SER   4          2HB       SER   4  -4.333   4.330  -0.805
   15   2HB   SER   4          1HB       SER   4  -5.644   4.785   0.275
   16    HG   SER   4           HG       SER   4  -4.116   5.534   1.749
   17    H    ASP   5           H        ASP   5  -3.674   1.608  -1.009
   18    HA   ASP   5           HA       ASP   5  -6.265   0.618  -1.864
   19   1HB   ASP   5          2HB       ASP   5  -4.658   1.283  -3.576
   20   2HB   ASP   5          1HB       ASP   5  -3.485   0.136  -2.941
   21    HA   PRO   6           HA       PRO   6  -6.114  -2.991   0.711
   22   1HB   PRO   6          2HB       PRO   6  -7.638  -4.206  -1.537
   23   2HB   PRO   6          1HB       PRO   6  -8.023  -4.147   0.187
   24   1HG   PRO   6          2HG       PRO   6  -9.293  -2.569  -1.536
   25   2HG   PRO   6          1HG       PRO   6  -8.824  -1.971   0.066
   26   1HD   PRO   6          2HD       PRO   6  -7.568  -1.452  -2.594
   27   2HD   PRO   6          1HD       PRO   6  -7.790  -0.354  -1.217
   28    H    ARG   7           H        ARG   7  -5.471  -3.385  -2.780
   29    HA   ARG   7           HA       ARG   7  -4.094  -5.871  -2.318
   30   1HB   ARG   7          2HB       ARG   7  -4.409  -6.247  -4.473
   31   2HB   ARG   7          1HB       ARG   7  -5.385  -4.792  -4.468
   32   1HG   ARG   7          2HG       ARG   7  -3.018  -3.663  -4.896
   33   2HG   ARG   7          1HG       ARG   7  -2.675  -5.261  -5.564
   34   1HD   ARG   7          2HD       ARG   7  -3.477  -3.948  -7.362
   35   2HD   ARG   7          1HD       ARG   7  -4.802  -5.020  -6.900
   36    HE   ARG   7           HE       ARG   7  -4.976  -2.556  -5.497
   37   1HH1  ARG   7          1HH1      ARG   7  -5.527  -3.940  -8.675
   38   2HH1  ARG   7          2HH1      ARG   7  -6.724  -2.769  -9.114
   39   1HH2  ARG   7          1HH2      ARG   7  -6.536  -1.026  -6.051
   40   2HH2  ARG   7          2HH2      ARG   7  -7.303  -1.097  -7.615
   41   1HN   SEC   8          H         SEC   8  -3.229  -2.543  -2.510
   42    HA   SEC   8           HA       SEC   8  -0.424  -3.151  -2.973
   43   1HB   SEC   8          1HB       SEC   8  -1.399  -0.432  -2.168
   44   2HB   SEC   8          2HB       SEC   8  -1.794  -1.043  -3.774
   45    H    ALA   9           H        ALA   9  -2.619  -2.410  -0.394
   46    HA   ALA   9           HA       ALA   9  -0.913  -1.627   1.646
   47   1HB   ALA   9          1HB       ALA   9  -3.295  -3.388   2.120
   48   2HB   ALA   9          2HB       ALA   9  -3.461  -1.708   1.611
   49   3HB   ALA   9          3HB       ALA   9  -2.656  -2.093   3.132
   50    H    TRP  10           H        TRP  10  -1.588  -4.902   0.456
   51    HA   TRP  10           HA       TRP  10  -0.437  -6.237   2.637
   52   1HB   TRP  10          2HB       TRP  10  -0.637  -8.233   1.447
   53   2HB   TRP  10          1HB       TRP  10  -1.940  -7.243   0.823
   54    HD1  TRP  10           HD       TRP  10   1.766  -7.562  -0.361
   55    HE1  TRP  10           1HE      TRP  10   1.739  -8.127  -2.865
   56    HE3  TRP  10           3HE      TRP  10  -3.300  -7.843  -1.112
   57    HZ2  TRP  10           2HZ      TRP  10  -0.145  -8.639  -4.886
   58    HZ3  TRP  10           3HZ      TRP  10  -4.117  -8.393  -3.360
   59    HH2  TRP  10           HH       TRP  10  -2.574  -8.778  -5.209
   60    H    ARG  11           H        ARG  11   0.940  -4.436   0.140
   61    HA   ARG  11           HA       ARG  11   3.627  -5.416   0.853
   62   1HB   ARG  11          2HB       ARG  11   2.924  -5.887  -1.525
   63   2HB   ARG  11          1HB       ARG  11   2.803  -4.151  -1.775
   64   1HG   ARG  11          2HG       ARG  11   5.225  -3.984  -1.153
   65   2HG   ARG  11          1HG       ARG  11   5.280  -5.749  -1.175
   66   1HD   ARG  11          2HD       ARG  11   4.421  -4.029  -3.497
   67   2HD   ARG  11          1HD       ARG  11   6.041  -4.693  -3.292
   68    HE   ARG  11           HE       ARG  11   4.302  -6.833  -3.135
   69   1HH1  ARG  11          1HH1      ARG  11   5.110  -4.382  -5.487
   70   2HH1  ARG  11          2HH1      ARG  11   4.810  -5.399  -6.857
   71   1HH2  ARG  11          1HH2      ARG  11   3.904  -8.203  -4.943
   72   2HH2  ARG  11          2HH2      ARG  11   4.119  -7.582  -6.545
   73    H    CYS  12           H        CYS  12   2.176  -3.526   2.314
   74    HA   CYS  12           HA       CYS  12   3.922  -1.211   2.066
   75   1HB   CYS  12          2HB       CYS  12   1.948  -0.650   0.687
   76   2HB   CYS  12          1HB       CYS  12   0.904  -0.956   2.070
  Start of MODEL   14
    1   1H    GLY   1           H        GLY   1  -0.664   6.928   0.648
    2   1HA   GLY   1          2HA       GLY   1  -2.200   6.187  -0.898
    3   2HA   GLY   1          1HA       GLY   1  -0.831   6.279  -1.998
    4   1HN   SEC   2          H         SEC   2   0.738   4.246  -0.875
    5    HA   SEC   2           HA       SEC   2  -0.340   1.981  -2.157
    6   1HB   SEC   2          1HB       SEC   2   1.953   2.165  -0.191
    7   2HB   SEC   2          2HB       SEC   2   2.076   2.330  -1.942
    8    H    CYS   3           H        CYS   3  -0.158   2.930   1.220
    9    HA   CYS   3           HA       CYS   3  -1.259   0.499   2.230
   10   1HB   CYS   3          2HB       CYS   3  -0.838   3.221   3.448
   11   2HB   CYS   3          1HB       CYS   3  -1.611   1.914   4.325
   12    H    SER   4           H        SER   4  -2.625   3.053   0.550
   13    HA   SER   4           HA       SER   4  -5.200   2.967   1.868
   14   1HB   SER   4          2HB       SER   4  -4.445   4.403  -0.654
   15   2HB   SER   4          1HB       SER   4  -5.846   4.717   0.363
   16    HG   SER   4           HG       SER   4  -4.383   5.330   2.025
   17    H    ASP   5           H        ASP   5  -3.608   1.618  -0.891
   18    HA   ASP   5           HA       ASP   5  -6.066   0.664  -2.094
   19   1HB   ASP   5          2HB       ASP   5  -4.305   1.373  -3.584
   20   2HB   ASP   5          1HB       ASP   5  -3.159   0.293  -2.805
   21    HA   PRO   6           HA       PRO   6  -6.295  -2.971   0.442
   22   1HB   PRO   6          2HB       PRO   6  -7.559  -4.073  -2.024
   23   2HB   PRO   6          1HB       PRO   6  -8.131  -4.104  -0.352
   24   1HG   PRO   6          2HG       PRO   6  -9.192  -2.411  -2.101
   25   2HG   PRO   6          1HG       PRO   6  -8.879  -1.905  -0.429
   26   1HD   PRO   6          2HD       PRO   6  -7.369  -1.261  -2.922
   27   2HD   PRO   6          1HD       PRO   6  -7.685  -0.248  -1.499
   28    H    ARG   7           H        ARG   7  -5.336  -3.415  -2.979
   29    HA   ARG   7           HA       ARG   7  -3.981  -5.865  -2.305
   30   1HB   ARG   7          2HB       ARG   7  -3.212  -5.550  -4.805
   31   2HB   ARG   7          1HB       ARG   7  -4.798  -6.162  -4.379
   32   1HG   ARG   7          2HG       ARG   7  -5.810  -4.049  -4.813
   33   2HG   ARG   7          1HG       ARG   7  -4.236  -3.272  -4.997
   34   1HD   ARG   7          2HD       ARG   7  -3.803  -4.420  -7.020
   35   2HD   ARG   7          1HD       ARG   7  -5.144  -5.532  -6.761
   36    HE   ARG   7           HE       ARG   7  -6.471  -4.040  -7.829
   37   1HH1  ARG   7          1HH1      ARG   7  -3.809  -2.221  -6.450
   38   2HH1  ARG   7          2HH1      ARG   7  -4.341  -0.714  -7.109
   39   1HH2  ARG   7          1HH2      ARG   7  -7.150  -2.045  -8.712
   40   2HH2  ARG   7          2HH2      ARG   7  -6.231  -0.613  -8.398
   41   1HN   SEC   8          H         SEC   8  -3.110  -2.558  -2.509
   42    HA   SEC   8           HA       SEC   8  -0.287  -3.174  -2.850
   43   1HB   SEC   8          1HB       SEC   8  -1.318  -0.452  -2.103
   44   2HB   SEC   8          2HB       SEC   8  -1.577  -1.065  -3.736
   45    H    ALA   9           H        ALA   9  -2.578  -2.346  -0.365
   46    HA   ALA   9           HA       ALA   9  -0.930  -1.577   1.724
   47   1HB   ALA   9          1HB       ALA   9  -3.478  -3.170   1.928
   48   2HB   ALA   9          2HB       ALA   9  -3.376  -1.419   1.750
   49   3HB   ALA   9          3HB       ALA   9  -2.743  -2.196   3.200
   50    H    TRP  10           H        TRP  10  -1.755  -4.877   0.669
   51    HA   TRP  10           HA       TRP  10  -0.675  -6.160   2.910
   52   1HB   TRP  10          2HB       TRP  10  -0.986  -8.195   1.818
   53   2HB   TRP  10          1HB       TRP  10  -2.217  -7.163   1.120
   54    HD1  TRP  10           HD       TRP  10   1.480  -7.792   0.034
   55    HE1  TRP  10           1HE      TRP  10   1.465  -8.466  -2.445
   56    HE3  TRP  10           3HE      TRP  10  -3.573  -7.735  -0.818
   57    HZ2  TRP  10           2HZ      TRP  10  -0.415  -8.932  -4.482
   58    HZ3  TRP  10           3HZ      TRP  10  -4.387  -8.326  -3.057
   59    HH2  TRP  10           HH       TRP  10  -2.842  -8.908  -4.852
   60    H    ARG  11           H        ARG  11   0.820  -4.584   0.326
   61    HA   ARG  11           HA       ARG  11   3.446  -5.577   1.210
   62   1HB   ARG  11          2HB       ARG  11   2.792  -6.499  -1.028
   63   2HB   ARG  11          1HB       ARG  11   2.684  -4.854  -1.633
   64   1HG   ARG  11          2HG       ARG  11   5.213  -4.936  -0.567
   65   2HG   ARG  11          1HG       ARG  11   5.012  -6.555  -1.246
   66   1HD   ARG  11          2HD       ARG  11   5.955  -4.963  -2.876
   67   2HD   ARG  11          1HD       ARG  11   4.396  -5.612  -3.393
   68    HE   ARG  11           HE       ARG  11   4.012  -3.200  -1.971
   69   1HH1  ARG  11          1HH1      ARG  11   5.217  -4.354  -5.050
   70   2HH1  ARG  11          2HH1      ARG  11   4.782  -2.915  -5.906
   71   1HH2  ARG  11          1HH2      ARG  11   3.420  -1.311  -3.091
   72   2HH2  ARG  11          2HH2      ARG  11   3.751  -1.174  -4.786
   73    H    CYS  12           H        CYS  12   2.068  -3.375   2.245
   74    HA   CYS  12           HA       CYS  12   3.248  -1.025   0.970
   75   1HB   CYS  12          2HB       CYS  12   0.838  -1.040   1.694
   76   2HB   CYS  12          1HB       CYS  12   1.399  -1.117   3.360
  Start of MODEL   15
    1   1H    GLY   1           H        GLY   1  -0.700   7.073  -2.914
    2   1HA   GLY   1          2HA       GLY   1  -1.700   6.108  -0.469
    3   2HA   GLY   1          1HA       GLY   1  -2.588   6.162  -1.987
    4   1HN   SEC   2          H         SEC   2   0.390   4.406  -1.450
    5    HA   SEC   2           HA       SEC   2  -0.573   2.020  -2.564
    6   1HB   SEC   2          1HB       SEC   2   1.827   2.559  -0.811
    7   2HB   SEC   2          2HB       SEC   2   1.791   2.452  -2.572
    8    H    CYS   3           H        CYS   3  -0.079   2.948   0.802
    9    HA   CYS   3           HA       CYS   3  -1.048   0.475   1.839
   10   1HB   CYS   3          2HB       CYS   3  -0.715   3.120   3.260
   11   2HB   CYS   3          1HB       CYS   3  -0.838   1.530   4.003
   12    H    SER   4           H        SER   4  -2.614   3.002   0.399
   13    HA   SER   4           HA       SER   4  -5.008   2.927   2.030
   14   1HB   SER   4          2HB       SER   4  -4.607   4.338  -0.585
   15   2HB   SER   4          1HB       SER   4  -5.833   4.675   0.630
   16    HG   SER   4           HG       SER   4  -4.260   5.467   1.980
   17    H    ASP   5           H        ASP   5  -3.790   1.712  -1.003
   18    HA   ASP   5           HA       ASP   5  -6.361   0.593  -1.779
   19   1HB   ASP   5          2HB       ASP   5  -4.859   1.566  -3.489
   20   2HB   ASP   5          1HB       ASP   5  -3.631   0.385  -3.068
   21    HA   PRO   6           HA       PRO   6  -5.772  -2.996   0.810
   22   1HB   PRO   6          2HB       PRO   6  -7.512  -4.125  -1.341
   23   2HB   PRO   6          1HB       PRO   6  -7.651  -4.276   0.415
   24   1HG   PRO   6          2HG       PRO   6  -9.207  -2.581  -0.906
   25   2HG   PRO   6          1HG       PRO   6  -8.512  -2.133   0.664
   26   1HD   PRO   6          2HD       PRO   6  -7.754  -1.235  -2.072
   27   2HD   PRO   6          1HD       PRO   6  -7.689  -0.354  -0.533
   28    H    ARG   7           H        ARG   7  -5.469  -3.310  -2.738
   29    HA   ARG   7           HA       ARG   7  -4.081  -5.804  -2.538
   30   1HB   ARG   7          2HB       ARG   7  -3.703  -5.538  -4.942
   31   2HB   ARG   7          1HB       ARG   7  -5.387  -5.301  -4.510
   32   1HG   ARG   7          2HG       ARG   7  -4.956  -2.843  -4.531
   33   2HG   ARG   7          1HG       ARG   7  -3.357  -3.192  -5.186
   34   1HD   ARG   7          2HD       ARG   7  -4.265  -4.076  -7.180
   35   2HD   ARG   7          1HD       ARG   7  -5.890  -4.146  -6.494
   36    HE   ARG   7           HE       ARG   7  -5.095  -1.492  -6.366
   37   1HH1  ARG   7          1HH1      ARG   7  -5.685  -3.866  -8.885
   38   2HH1  ARG   7          2HH1      ARG   7  -6.188  -2.687 -10.048
   39   1HH2  ARG   7          1HH2      ARG   7  -5.747   0.043  -7.867
   40   2HH2  ARG   7          2HH2      ARG   7  -6.223  -0.438  -9.466
   41   1HN   SEC   8          H         SEC   8  -3.138  -2.460  -2.569
   42    HA   SEC   8           HA       SEC   8  -0.342  -3.180  -3.000
   43   1HB   SEC   8          1HB       SEC   8  -1.255  -0.408  -2.282
   44   2HB   SEC   8          2HB       SEC   8  -1.552  -1.038  -3.904
   45    H    ALA   9           H        ALA   9  -2.580  -2.381  -0.510
   46    HA   ALA   9           HA       ALA   9  -0.912  -1.623   1.580
   47   1HB   ALA   9          1HB       ALA   9  -3.062  -1.250   2.158
   48   2HB   ALA   9          2HB       ALA   9  -2.880  -2.827   2.927
   49   3HB   ALA   9          3HB       ALA   9  -3.650  -2.701   1.345
   50    H    TRP  10           H        TRP  10  -1.630  -4.851   0.342
   51    HA   TRP  10           HA       TRP  10  -0.685  -6.237   2.595
   52   1HB   TRP  10          2HB       TRP  10  -0.863  -8.217   1.373
   53   2HB   TRP  10          1HB       TRP  10  -2.083  -7.184   0.661
   54    HD1  TRP  10           HD       TRP  10   1.691  -7.619  -0.239
   55    HE1  TRP  10           1HE      TRP  10   1.843  -8.160  -2.746
   56    HE3  TRP  10           3HE      TRP  10  -3.309  -7.712  -1.382
   57    HZ2  TRP  10           2HZ      TRP  10   0.100  -8.588  -4.910
   58    HZ3  TRP  10           3HZ      TRP  10  -3.968  -8.213  -3.692
   59    HH2  TRP  10           HH       TRP  10  -2.300  -8.637  -5.420
   60    H    ARG  11           H        ARG  11   0.895  -4.443   0.223
   61    HA   ARG  11           HA       ARG  11   3.507  -5.553   1.014
   62   1HB   ARG  11          2HB       ARG  11   2.900  -5.788  -1.413
   63   2HB   ARG  11          1HB       ARG  11   2.833  -4.035  -1.518
   64   1HG   ARG  11          2HG       ARG  11   5.256  -4.097  -0.671
   65   2HG   ARG  11          1HG       ARG  11   5.210  -5.806  -1.114
   66   1HD   ARG  11          2HD       ARG  11   4.817  -5.310  -3.383
   67   2HD   ARG  11          1HD       ARG  11   4.410  -3.633  -3.027
   68    HE   ARG  11           HE       ARG  11   6.977  -4.655  -3.577
   69   1HH1  ARG  11          1HH1      ARG  11   5.376  -2.381  -1.434
   70   2HH1  ARG  11          2HH1      ARG  11   6.773  -1.373  -1.255
   71   1HH2  ARG  11          1HH2      ARG  11   8.827  -3.321  -3.334
   72   2HH2  ARG  11          2HH2      ARG  11   8.739  -1.908  -2.337
   73    H    CYS  12           H        CYS  12   1.902  -3.590   2.439
   74    HA   CYS  12           HA       CYS  12   3.243  -1.044   1.990
   75   1HB   CYS  12          2HB       CYS  12   0.895  -0.890   2.467
   76   2HB   CYS  12          1HB       CYS  12   1.062  -1.895   3.899
  Start of MODEL   16
    1   1H    GLY   1           H        GLY   1  -0.316   7.109  -2.631
    2   1HA   GLY   1          2HA       GLY   1  -1.497   6.201  -0.210
    3   2HA   GLY   1          1HA       GLY   1  -2.296   6.324  -1.771
    4   1HN   SEC   2          H         SEC   2   0.576   4.440  -1.056
    5    HA   SEC   2           HA       SEC   2  -0.432   2.121  -2.297
    6   1HB   SEC   2          1HB       SEC   2   1.900   2.447  -0.401
    7   2HB   SEC   2          2HB       SEC   2   1.963   2.522  -2.162
    8    H    CYS   3           H        CYS   3  -0.150   3.037   1.094
    9    HA   CYS   3           HA       CYS   3  -1.188   0.566   2.075
   10   1HB   CYS   3          2HB       CYS   3  -0.796   3.253   3.391
   11   2HB   CYS   3          1HB       CYS   3  -1.424   1.850   4.235
   12    H    SER   4           H        SER   4  -2.649   3.038   0.438
   13    HA   SER   4           HA       SER   4  -5.146   3.020   1.902
   14   1HB   SER   4          2HB       SER   4  -4.542   4.328  -0.727
   15   2HB   SER   4          1HB       SER   4  -5.880   4.694   0.354
   16    HG   SER   4           HG       SER   4  -4.392   5.474   1.859
   17    H    ASP   5           H        ASP   5  -3.767   1.675  -1.020
   18    HA   ASP   5           HA       ASP   5  -6.316   0.555  -1.847
   19   1HB   ASP   5          2HB       ASP   5  -4.752   1.418  -3.552
   20   2HB   ASP   5          1HB       ASP   5  -3.562   0.228  -3.047
   21    HA   PRO   6           HA       PRO   6  -5.871  -3.041   0.698
   22   1HB   PRO   6          2HB       PRO   6  -7.423  -4.688  -0.933
   23   2HB   PRO   6          1HB       PRO   6  -8.018  -3.658   0.371
   24   1HG   PRO   6          2HG       PRO   6  -7.946  -3.149  -2.568
   25   2HG   PRO   6          1HG       PRO   6  -9.187  -2.708  -1.380
   26   1HD   PRO   6          2HD       PRO   6  -7.478  -0.887  -2.326
   27   2HD   PRO   6          1HD       PRO   6  -7.984  -0.868  -0.622
   28    H    ARG   7           H        ARG   7  -5.351  -3.296  -2.810
   29    HA   ARG   7           HA       ARG   7  -3.966  -5.800  -2.529
   30   1HB   ARG   7          2HB       ARG   7  -4.229  -6.001  -4.721
   31   2HB   ARG   7          1HB       ARG   7  -5.267  -4.595  -4.586
   32   1HG   ARG   7          2HG       ARG   7  -3.043  -3.272  -4.941
   33   2HG   ARG   7          1HG       ARG   7  -2.479  -4.802  -5.619
   34   1HD   ARG   7          2HD       ARG   7  -3.317  -3.629  -7.457
   35   2HD   ARG   7          1HD       ARG   7  -4.610  -4.750  -7.026
   36    HE   ARG   7           HE       ARG   7  -4.997  -2.301  -5.672
   37   1HH1  ARG   7          1HH1      ARG   7  -5.234  -3.701  -8.881
   38   2HH1  ARG   7          2HH1      ARG   7  -6.392  -2.543  -9.440
   39   1HH2  ARG   7          1HH2      ARG   7  -6.489  -0.764  -6.395
   40   2HH2  ARG   7          2HH2      ARG   7  -7.117  -0.864  -8.019
   41   1HN   SEC   8          H         SEC   8  -3.102  -2.458  -2.502
   42    HA   SEC   8           HA       SEC   8  -0.289  -3.062  -2.959
   43   1HB   SEC   8          1HB       SEC   8  -1.287  -0.368  -2.085
   44   2HB   SEC   8          2HB       SEC   8  -1.605  -0.922  -3.729
   45    H    ALA   9           H        ALA   9  -2.514  -2.272  -0.407
   46    HA   ALA   9           HA       ALA   9  -0.760  -1.683   1.677
   47   1HB   ALA   9          1HB       ALA   9  -3.573  -2.595   1.482
   48   2HB   ALA   9          2HB       ALA   9  -2.895  -1.146   2.226
   49   3HB   ALA   9          3HB       ALA   9  -2.776  -2.700   3.052
   50    H    TRP  10           H        TRP  10  -1.691  -4.818   0.344
   51    HA   TRP  10           HA       TRP  10  -1.001  -6.367   2.552
   52   1HB   TRP  10          2HB       TRP  10  -1.089  -8.292   1.185
   53   2HB   TRP  10          1HB       TRP  10  -2.306  -7.188   0.580
   54    HD1  TRP  10           HD       TRP  10   1.439  -7.255  -0.443
   55    HE1  TRP  10           1HE      TRP  10   1.566  -7.709  -2.970
   56    HE3  TRP  10           3HE      TRP  10  -3.540  -7.967  -1.414
   57    HZ2  TRP  10           2HZ      TRP  10  -0.188  -8.306  -5.085
   58    HZ3  TRP  10           3HZ      TRP  10  -4.220  -8.490  -3.713
   59    HH2  TRP  10           HH       TRP  10  -2.581  -8.651  -5.512
   60    H    ARG  11           H        ARG  11   1.004  -4.598   0.501
   61    HA   ARG  11           HA       ARG  11   3.341  -5.638   1.885
   62   1HB   ARG  11          2HB       ARG  11   2.963  -5.753  -1.082
   63   2HB   ARG  11          1HB       ARG  11   4.566  -5.436  -0.435
   64   1HG   ARG  11          2HG       ARG  11   4.321  -7.530   0.927
   65   2HG   ARG  11          1HG       ARG  11   2.854  -7.866   0.006
   66   1HD   ARG  11          2HD       ARG  11   4.816  -9.027  -0.914
   67   2HD   ARG  11          1HD       ARG  11   4.118  -7.884  -2.060
   68    HE   ARG  11           HE       ARG  11   6.112  -6.801  -2.083
   69   1HH1  ARG  11          1HH1      ARG  11   5.919  -8.576   0.931
   70   2HH1  ARG  11          2HH1      ARG  11   7.494  -8.095   1.467
   71   1HH2  ARG  11          1HH2      ARG  11   8.193  -6.162  -1.379
   72   2HH2  ARG  11          2HH2      ARG  11   8.791  -6.717   0.150
   73    H    CYS  12           H        CYS  12   1.914  -3.305   2.261
   74    HA   CYS  12           HA       CYS  12   3.351  -1.162   0.920
   75   1HB   CYS  12          2HB       CYS  12   0.908  -0.994   1.341
   76   2HB   CYS  12          1HB       CYS  12   1.226  -1.021   3.071
  Start of MODEL   17
    1   1H    GLY   1           H        GLY   1  -0.886   7.132  -0.095
    2   1HA   GLY   1          2HA       GLY   1  -2.704   6.354  -1.270
    3   2HA   GLY   1          1HA       GLY   1  -1.631   6.518  -2.654
    4   1HN   SEC   2          H         SEC   2   0.232   4.539  -1.945
    5    HA   SEC   2           HA       SEC   2  -1.029   2.247  -2.999
    6   1HB   SEC   2          1HB       SEC   2   1.660   2.550  -1.651
    7   2HB   SEC   2          2HB       SEC   2   1.337   2.638  -3.383
    8    H    CYS   3           H        CYS   3   0.010   3.092   0.257
    9    HA   CYS   3           HA       CYS   3  -0.793   0.609   1.405
   10   1HB   CYS   3          2HB       CYS   3  -0.298   3.238   2.800
   11   2HB   CYS   3          1HB       CYS   3  -0.296   1.635   3.521
   12    H    SER   4           H        SER   4  -2.574   3.080   0.187
   13    HA   SER   4           HA       SER   4  -4.683   3.039   2.170
   14   1HB   SER   4          2HB       SER   4  -4.658   4.387  -0.510
   15   2HB   SER   4          1HB       SER   4  -5.757   4.716   0.823
   16    HG   SER   4           HG       SER   4  -3.973   5.463   2.020
   17    H    ASP   5           H        ASP   5  -3.919   1.661  -0.937
   18    HA   ASP   5           HA       ASP   5  -6.593   0.572  -1.263
   19   1HB   ASP   5          2HB       ASP   5  -5.368   1.395  -3.243
   20   2HB   ASP   5          1HB       ASP   5  -4.121   0.189  -2.958
   21    HA   PRO   6           HA       PRO   6  -5.803  -3.039   1.155
   22   1HB   PRO   6          2HB       PRO   6  -7.728  -4.249  -0.768
   23   2HB   PRO   6          1HB       PRO   6  -7.743  -4.255   0.999
   24   1HG   PRO   6          2HG       PRO   6  -9.384  -2.664  -0.357
   25   2HG   PRO   6          1HG       PRO   6  -8.597  -2.101   1.131
   26   1HD   PRO   6          2HD       PRO   6  -7.961  -1.457  -1.714
   27   2HD   PRO   6          1HD       PRO   6  -7.887  -0.418  -0.277
   28    H    ARG   7           H        ARG   7  -5.825  -3.344  -2.408
   29    HA   ARG   7           HA       ARG   7  -4.323  -5.804  -2.232
   30   1HB   ARG   7          2HB       ARG   7  -4.852  -6.169  -4.381
   31   2HB   ARG   7          1HB       ARG   7  -6.107  -4.991  -4.035
   32   1HG   ARG   7          2HG       ARG   7  -4.213  -3.313  -4.845
   33   2HG   ARG   7          1HG       ARG   7  -3.676  -4.752  -5.712
   34   1HD   ARG   7          2HD       ARG   7  -5.100  -3.810  -7.251
   35   2HD   ARG   7          1HD       ARG   7  -6.192  -4.907  -6.406
   36    HE   ARG   7           HE       ARG   7  -6.200  -2.375  -5.138
   37   1HH1  ARG   7          1HH1      ARG   7  -7.381  -4.000  -8.016
   38   2HH1  ARG   7          2HH1      ARG   7  -8.668  -2.874  -8.278
   39   1HH2  ARG   7          1HH2      ARG   7  -7.852  -0.876  -5.487
   40   2HH2  ARG   7          2HH2      ARG   7  -8.946  -1.086  -6.829
   41   1HN   SEC   8          H         SEC   8  -3.612  -2.445  -2.538
   42    HA   SEC   8           HA       SEC   8  -0.990  -2.976  -3.678
   43   1HB   SEC   8          1HB       SEC   8  -1.837  -0.302  -2.596
   44   2HB   SEC   8          2HB       SEC   8  -2.494  -0.890  -4.125
   45    H    ALA   9           H        ALA   9  -2.462  -2.224  -0.600
   46    HA   ALA   9           HA       ALA   9  -0.024  -1.749   0.798
   47   1HB   ALA   9          1HB       ALA   9  -1.394  -0.990   2.360
   48   2HB   ALA   9          2HB       ALA   9  -2.160  -2.571   2.527
   49   3HB   ALA   9          3HB       ALA   9  -2.748  -1.429   1.318
   50    H    TRP  10           H        TRP  10  -0.548  -4.450  -0.672
   51    HA   TRP  10           HA       TRP  10  -0.631  -6.419   1.335
   52   1HB   TRP  10          2HB       TRP  10   0.183  -7.993  -0.420
   53   2HB   TRP  10          1HB       TRP  10  -1.245  -7.084  -0.876
   54    HD1  TRP  10           HD       TRP  10   2.174  -5.412  -1.245
   55    HE1  TRP  10           1HE      TRP  10   2.706  -5.167  -3.751
   56    HE3  TRP  10           3HE      TRP  10  -1.701  -8.147  -3.189
   57    HZ2  TRP  10           2HZ      TRP  10   1.648  -6.026  -6.215
   58    HZ3  TRP  10           3HZ      TRP  10  -1.852  -8.392  -5.630
   59    HH2  TRP  10           HH       TRP  10  -0.218  -7.348  -7.111
   60    H    ARG  11           H        ARG  11   1.777  -4.285   0.434
   61    HA   ARG  11           HA       ARG  11   3.746  -5.775   2.018
   62   1HB   ARG  11          2HB       ARG  11   4.220  -4.397  -0.624
   63   2HB   ARG  11          1HB       ARG  11   5.522  -4.785   0.489
   64   1HG   ARG  11          2HG       ARG  11   4.937  -7.159   0.327
   65   2HG   ARG  11          1HG       ARG  11   3.660  -6.754  -0.818
   66   1HD   ARG  11          2HD       ARG  11   5.594  -7.518  -2.032
   67   2HD   ARG  11          1HD       ARG  11   5.369  -5.797  -2.329
   68    HE   ARG  11           HE       ARG  11   7.540  -7.060  -0.855
   69   1HH1  ARG  11          1HH1      ARG  11   6.010  -4.086  -1.899
   70   2HH1  ARG  11          2HH1      ARG  11   7.361  -3.088  -1.477
   71   1HH2  ARG  11          1HH2      ARG  11   9.332  -5.745  -0.303
   72   2HH2  ARG  11          2HH2      ARG  11   9.256  -4.036  -0.570
   73    H    CYS  12           H        CYS  12   2.042  -3.867   3.013
   74    HA   CYS  12           HA       CYS  12   3.937  -1.835   3.860
   75   1HB   CYS  12          2HB       CYS  12   2.853  -0.778   1.926
   76   2HB   CYS  12          1HB       CYS  12   1.271  -1.100   2.627
  Start of MODEL   18
    1   1H    GLY   1           H        GLY   1  -0.730   7.125  -2.997
    2   1HA   GLY   1          2HA       GLY   1  -1.629   6.180  -0.493
    3   2HA   GLY   1          1HA       GLY   1  -2.595   6.286  -1.959
    4   1HN   SEC   2          H         SEC   2   0.351   4.438  -1.628
    5    HA   SEC   2           HA       SEC   2  -0.745   2.096  -2.714
    6   1HB   SEC   2          1HB       SEC   2   1.781   2.607  -1.150
    7   2HB   SEC   2          2HB       SEC   2   1.606   2.407  -2.894
    8    H    CYS   3           H        CYS   3  -0.044   2.981   0.623
    9    HA   CYS   3           HA       CYS   3  -0.933   0.518   1.727
   10   1HB   CYS   3          2HB       CYS   3  -0.675   3.180   3.129
   11   2HB   CYS   3          1HB       CYS   3  -0.633   1.580   3.859
   12    H    SER   4           H        SER   4  -2.596   3.095   0.396
   13    HA   SER   4           HA       SER   4  -4.954   2.866   2.065
   14   1HB   SER   4          2HB       SER   4  -4.651   4.431  -0.475
   15   2HB   SER   4          1HB       SER   4  -5.837   4.680   0.799
   16    HG   SER   4           HG       SER   4  -4.233   5.431   2.133
   17    H    ASP   5           H        ASP   5  -3.653   1.591  -0.826
   18    HA   ASP   5           HA       ASP   5  -6.184   0.653  -1.890
   19   1HB   ASP   5          2HB       ASP   5  -4.484   1.384  -3.456
   20   2HB   ASP   5          1HB       ASP   5  -3.311   0.292  -2.748
   21    HA   PRO   6           HA       PRO   6  -6.177  -2.936   0.773
   22   1HB   PRO   6          2HB       PRO   6  -7.775  -3.989  -1.518
   23   2HB   PRO   6          1HB       PRO   6  -8.120  -4.040   0.215
   24   1HG   PRO   6          2HG       PRO   6  -9.371  -2.299  -1.354
   25   2HG   PRO   6          1HG       PRO   6  -8.837  -1.833   0.273
   26   1HD   PRO   6          2HD       PRO   6  -7.668  -1.139  -2.380
   27   2HD   PRO   6          1HD       PRO   6  -7.750  -0.174  -0.892
   28    H    ARG   7           H        ARG   7  -5.550  -3.264  -2.737
   29    HA   ARG   7           HA       ARG   7  -4.241  -5.797  -2.269
   30   1HB   ARG   7          2HB       ARG   7  -4.008  -5.965  -4.632
   31   2HB   ARG   7          1HB       ARG   7  -5.640  -5.453  -4.263
   32   1HG   ARG   7          2HG       ARG   7  -4.999  -3.133  -4.821
   33   2HG   ARG   7          1HG       ARG   7  -3.400  -3.721  -5.286
   34   1HD   ARG   7          2HD       ARG   7  -4.479  -5.204  -6.950
   35   2HD   ARG   7          1HD       ARG   7  -6.037  -4.500  -6.527
   36    HE   ARG   7           HE       ARG   7  -4.097  -3.406  -8.278
   37   1HH1  ARG   7          1HH1      ARG   7  -6.479  -2.452  -5.895
   38   2HH1  ARG   7          2HH1      ARG   7  -6.685  -0.867  -6.549
   39   1HH2  ARG   7          1HH2      ARG   7  -4.398  -1.316  -9.162
   40   2HH2  ARG   7          2HH2      ARG   7  -5.513  -0.224  -8.414
   41   1HN   SEC   8          H         SEC   8  -3.283  -2.486  -2.534
   42    HA   SEC   8           HA       SEC   8  -0.525  -3.246  -3.106
   43   1HB   SEC   8          1HB       SEC   8  -1.401  -0.450  -2.407
   44   2HB   SEC   8          2HB       SEC   8  -1.723  -1.117  -4.008
   45    H    ALA   9           H        ALA   9  -2.597  -2.442  -0.489
   46    HA   ALA   9           HA       ALA   9  -0.827  -1.606   1.480
   47   1HB   ALA   9          1HB       ALA   9  -2.940  -1.309   2.201
   48   2HB   ALA   9          2HB       ALA   9  -2.654  -2.873   2.964
   49   3HB   ALA   9          3HB       ALA   9  -3.529  -2.784   1.435
   50    H    TRP  10           H        TRP  10  -1.428  -4.872   0.298
   51    HA   TRP  10           HA       TRP  10  -0.360  -6.207   2.519
   52   1HB   TRP  10          2HB       TRP  10  -0.362  -8.197   1.256
   53   2HB   TRP  10          1HB       TRP  10  -1.733  -7.275   0.677
   54    HD1  TRP  10           HD       TRP  10   1.971  -7.220  -0.533
   55    HE1  TRP  10           1HE      TRP  10   1.980  -7.692  -3.059
   56    HE3  TRP  10           3HE      TRP  10  -3.048  -7.963  -1.260
   57    HZ2  TRP  10           2HZ      TRP  10   0.127  -8.312  -5.085
   58    HZ3  TRP  10           3HZ      TRP  10  -3.835  -8.506  -3.521
   59    HH2  TRP  10           HH       TRP  10  -2.281  -8.673  -5.394
   60    H    ARG  11           H        ARG  11   1.079  -4.361   0.089
   61    HA   ARG  11           HA       ARG  11   3.760  -5.373   0.745
   62   1HB   ARG  11          2HB       ARG  11   3.024  -5.297  -1.673
   63   2HB   ARG  11          1HB       ARG  11   2.959  -3.547  -1.531
   64   1HG   ARG  11          2HG       ARG  11   5.367  -3.543  -0.970
   65   2HG   ARG  11          1HG       ARG  11   5.399  -5.287  -1.247
   66   1HD   ARG  11          2HD       ARG  11   6.173  -4.016  -3.207
   67   2HD   ARG  11          1HD       ARG  11   4.728  -4.965  -3.552
   68    HE   ARG  11           HE       ARG  11   3.645  -3.030  -4.048
   69   1HH1  ARG  11          1HH1      ARG  11   6.397  -2.217  -2.038
   70   2HH1  ARG  11          2HH1      ARG  11   6.112  -0.513  -2.115
   71   1HH2  ARG  11          1HH2      ARG  11   3.265  -0.780  -4.150
   72   2HH2  ARG  11          2HH2      ARG  11   4.328   0.305  -3.320
   73    H    CYS  12           H        CYS  12   2.327  -3.850   2.589
   74    HA   CYS  12           HA       CYS  12   4.094  -1.564   2.897
   75   1HB   CYS  12          2HB       CYS  12   2.276  -0.482   1.769
   76   2HB   CYS  12          1HB       CYS  12   1.083  -1.327   2.749
  Start of MODEL   19
    1   1H    GLY   1           H        GLY   1  -0.219   8.185  -1.486
    2   1HA   GLY   1          2HA       GLY   1  -0.738   6.529   0.759
    3   2HA   GLY   1          1HA       GLY   1  -1.945   7.295  -0.264
    4   1HN   SEC   2          H         SEC   2   0.528   5.075  -1.366
    5    HA   SEC   2           HA       SEC   2  -1.330   3.457  -2.760
    6   1HB   SEC   2          1HB       SEC   2   1.447   2.560  -2.005
    7   2HB   SEC   2          2HB       SEC   2   1.186   3.801  -3.232
    8    H    CYS   3           H        CYS   3   0.060   3.323   0.412
    9    HA   CYS   3           HA       CYS   3  -0.508   0.637   1.048
   10   1HB   CYS   3          2HB       CYS   3  -0.302   3.001   2.919
   11   2HB   CYS   3          1HB       CYS   3  -0.141   1.306   3.358
   12    H    SER   4           H        SER   4  -2.579   3.201   0.477
   13    HA   SER   4           HA       SER   4  -4.642   2.363   2.328
   14   1HB   SER   4          2HB       SER   4  -4.770   4.433   0.160
   15   2HB   SER   4          1HB       SER   4  -5.910   4.235   1.485
   16    HG   SER   4           HG       SER   4  -4.382   4.928   2.907
   17    H    ASP   5           H        ASP   5  -3.561   1.385  -0.669
   18    HA   ASP   5           HA       ASP   5  -6.170   0.666  -1.730
   19   1HB   ASP   5          2HB       ASP   5  -4.409   1.441  -3.270
   20   2HB   ASP   5          1HB       ASP   5  -3.395   0.091  -2.781
   21    HA   PRO   6           HA       PRO   6  -6.504  -3.183   0.409
   22   1HB   PRO   6          2HB       PRO   6  -7.647  -4.064  -2.205
   23   2HB   PRO   6          1HB       PRO   6  -8.284  -4.270  -0.569
   24   1HG   PRO   6          2HG       PRO   6  -9.293  -2.413  -2.173
   25   2HG   PRO   6          1HG       PRO   6  -9.047  -2.079  -0.448
   26   1HD   PRO   6          2HD       PRO   6  -7.471  -1.155  -2.803
   27   2HD   PRO   6          1HD       PRO   6  -7.819  -0.320  -1.276
   28    H    ARG   7           H        ARG   7  -5.345  -3.398  -2.996
   29    HA   ARG   7           HA       ARG   7  -4.027  -5.892  -2.343
   30   1HB   ARG   7          2HB       ARG   7  -3.569  -6.125  -4.641
   31   2HB   ARG   7          1HB       ARG   7  -5.207  -5.524  -4.514
   32   1HG   ARG   7          2HG       ARG   7  -4.330  -3.242  -5.000
   33   2HG   ARG   7          1HG       ARG   7  -2.751  -3.974  -5.300
   34   1HD   ARG   7          2HD       ARG   7  -3.735  -5.356  -7.070
   35   2HD   ARG   7          1HD       ARG   7  -5.307  -4.620  -6.772
   36    HE   ARG   7           HE       ARG   7  -3.270  -3.583  -8.406
   37   1HH1  ARG   7          1HH1      ARG   7  -5.602  -2.531  -6.033
   38   2HH1  ARG   7          2HH1      ARG   7  -5.644  -0.892  -6.589
   39   1HH2  ARG   7          1HH2      ARG   7  -3.378  -1.427  -9.211
   40   2HH2  ARG   7          2HH2      ARG   7  -4.414  -0.280  -8.429
   41   1HN   SEC   8          H         SEC   8  -3.200  -2.568  -2.456
   42    HA   SEC   8           HA       SEC   8  -0.359  -3.143  -2.752
   43   1HB   SEC   8          1HB       SEC   8  -1.638  -0.468  -2.160
   44   2HB   SEC   8          2HB       SEC   8  -1.431  -1.107  -3.792
   45    H    ALA   9           H        ALA   9  -2.709  -2.626  -0.306
   46    HA   ALA   9           HA       ALA   9  -1.192  -1.687   1.821
   47   1HB   ALA   9          1HB       ALA   9  -2.916  -2.841   3.251
   48   2HB   ALA   9          2HB       ALA   9  -3.616  -3.463   1.756
   49   3HB   ALA   9          3HB       ALA   9  -3.542  -1.724   2.039
   50    H    TRP  10           H        TRP  10  -1.654  -5.051   0.730
   51    HA   TRP  10           HA       TRP  10  -0.300  -6.167   2.929
   52   1HB   TRP  10          2HB       TRP  10  -0.642  -8.228   1.986
   53   2HB   TRP  10          1HB       TRP  10  -1.883  -7.304   1.166
   54    HD1  TRP  10           HD       TRP  10   1.821  -8.253   0.373
   55    HE1  TRP  10           1HE      TRP  10   1.936  -8.996  -2.082
   56    HE3  TRP  10           3HE      TRP  10  -3.092  -7.572  -0.929
   57    HZ2  TRP  10           2HZ      TRP  10   0.190  -9.268  -4.275
   58    HZ3  TRP  10           3HZ      TRP  10  -3.777  -8.115  -3.224
   59    HH2  TRP  10           HH       TRP  10  -2.171  -8.943  -4.862
   60    H    ARG  11           H        ARG  11   0.782  -4.504   0.195
   61    HA   ARG  11           HA       ARG  11   3.519  -5.539   0.438
   62   1HB   ARG  11          2HB       ARG  11   2.442  -3.551  -1.571
   63   2HB   ARG  11          1HB       ARG  11   3.979  -4.400  -1.639
   64   1HG   ARG  11          2HG       ARG  11   2.811  -6.513  -1.948
   65   2HG   ARG  11          1HG       ARG  11   1.261  -5.672  -1.857
   66   1HD   ARG  11          2HD       ARG  11   1.902  -4.342  -3.830
   67   2HD   ARG  11          1HD       ARG  11   3.405  -5.260  -3.937
   68    HE   ARG  11           HE       ARG  11   1.187  -7.011  -3.923
   69   1HH1  ARG  11          1HH1      ARG  11   2.846  -4.722  -5.976
   70   2HH1  ARG  11          2HH1      ARG  11   2.369  -5.493  -7.453
   71   1HH2  ARG  11          1HH2      ARG  11   0.542  -8.043  -5.867
   72   2HH2  ARG  11          2HH2      ARG  11   1.053  -7.394  -7.390
   73    H    CYS  12           H        CYS  12   2.170  -3.846   2.435
   74    HA   CYS  12           HA       CYS  12   4.224  -1.805   2.654
   75   1HB   CYS  12          2HB       CYS  12   2.471  -0.631   1.438
   76   2HB   CYS  12          1HB       CYS  12   1.269  -1.150   2.611
  Start of MODEL   20
    1   1H    GLY   1           H        GLY   1  -0.486   6.958   0.038
    2   1HA   GLY   1          2HA       GLY   1  -2.232   6.163  -1.236
    3   2HA   GLY   1          1HA       GLY   1  -1.031   6.208  -2.520
    4   1HN   SEC   2          H         SEC   2   0.673   4.204  -1.549
    5    HA   SEC   2           HA       SEC   2  -0.549   1.902  -2.606
    6   1HB   SEC   2          1HB       SEC   2   1.968   2.197  -0.955
    7   2HB   SEC   2          2HB       SEC   2   1.859   2.207  -2.715
    8    H    CYS   3           H        CYS   3   0.104   2.904   0.701
    9    HA   CYS   3           HA       CYS   3  -0.878   0.533   1.919
   10   1HB   CYS   3          2HB       CYS   3  -0.671   3.271   3.173
   11   2HB   CYS   3          1HB       CYS   3  -0.652   1.713   3.989
   12    H    SER   4           H        SER   4  -2.434   3.112   0.411
   13    HA   SER   4           HA       SER   4  -4.847   2.989   2.003
   14   1HB   SER   4          2HB       SER   4  -4.379   4.498  -0.544
   15   2HB   SER   4          1HB       SER   4  -5.639   4.793   0.648
   16    HG   SER   4           HG       SER   4  -3.982   5.354   2.129
   17    H    ASP   5           H        ASP   5  -3.557   1.544  -0.834
   18    HA   ASP   5           HA       ASP   5  -6.150   0.790  -1.895
   19   1HB   ASP   5          2HB       ASP   5  -4.348   1.344  -3.457
   20   2HB   ASP   5          1HB       ASP   5  -3.361   0.051  -2.784
   21    HA   PRO   6           HA       PRO   6  -6.617  -2.893   0.495
   22   1HB   PRO   6          2HB       PRO   6  -7.837  -3.953  -2.004
   23   2HB   PRO   6          1HB       PRO   6  -8.482  -3.919  -0.358
   24   1HG   PRO   6          2HG       PRO   6  -9.375  -2.213  -2.189
   25   2HG   PRO   6          1HG       PRO   6  -9.118  -1.692  -0.513
   26   1HD   PRO   6          2HD       PRO   6  -7.447  -1.181  -2.934
   27   2HD   PRO   6          1HD       PRO   6  -7.803  -0.113  -1.562
   28    H    ARG   7           H        ARG   7  -5.579  -3.430  -2.916
   29    HA   ARG   7           HA       ARG   7  -4.300  -5.889  -2.090
   30   1HB   ARG   7          2HB       ARG   7  -3.952  -6.358  -4.365
   31   2HB   ARG   7          1HB       ARG   7  -5.562  -5.680  -4.248
   32   1HG   ARG   7          2HG       ARG   7  -4.560  -3.477  -4.937
   33   2HG   ARG   7          1HG       ARG   7  -3.074  -4.360  -5.293
   34   1HD   ARG   7          2HD       ARG   7  -4.271  -5.756  -6.890
   35   2HD   ARG   7          1HD       ARG   7  -5.777  -4.923  -6.509
   36    HE   ARG   7           HE       ARG   7  -3.840  -4.090  -8.366
   37   1HH1  ARG   7          1HH1      ARG   7  -5.887  -2.755  -5.865
   38   2HH1  ARG   7          2HH1      ARG   7  -5.938  -1.171  -6.553
   39   1HH2  ARG   7          1HH2      ARG   7  -3.944  -2.002  -9.319
   40   2HH2  ARG   7          2HH2      ARG   7  -4.859  -0.754  -8.541
   41   1HN   SEC   8          H         SEC   8  -3.397  -2.608  -2.528
   42    HA   SEC   8           HA       SEC   8  -0.595  -3.285  -2.923
   43   1HB   SEC   8          1HB       SEC   8  -1.471  -0.505  -2.255
   44   2HB   SEC   8          2HB       SEC   8  -1.942  -1.177  -3.816
   45    H    ALA   9           H        ALA   9  -2.797  -2.916  -0.413
   46    HA   ALA   9           HA       ALA   9  -1.307  -1.827   1.670
   47   1HB   ALA   9          1HB       ALA   9  -3.003  -3.904   2.663
   48   2HB   ALA   9          2HB       ALA   9  -3.822  -3.038   1.364
   49   3HB   ALA   9          3HB       ALA   9  -3.206  -2.155   2.760
   50    H    TRP  10           H        TRP  10  -1.325  -5.123   0.380
   51    HA   TRP  10           HA       TRP  10   0.089  -6.272   2.522
   52   1HB   TRP  10          2HB       TRP  10   0.306  -8.234   1.233
   53   2HB   TRP  10          1HB       TRP  10  -1.232  -7.538   0.764
   54    HD1  TRP  10           HD       TRP  10   2.360  -7.027  -0.660
   55    HE1  TRP  10           1HE      TRP  10   2.264  -7.408  -3.202
   56    HE3  TRP  10           3HE      TRP  10  -2.605  -8.208  -1.136
   57    HZ2  TRP  10           2HZ      TRP  10   0.356  -8.125  -5.144
   58    HZ3  TRP  10           3HZ      TRP  10  -3.472  -8.740  -3.370
   59    HH2  TRP  10           HH       TRP  10  -2.023  -8.695  -5.333
   60    H    ARG  11           H        ARG  11   1.014  -4.229  -0.004
   61    HA   ARG  11           HA       ARG  11   3.862  -4.855   0.245
   62   1HB   ARG  11          2HB       ARG  11   2.801  -4.524  -2.004
   63   2HB   ARG  11          1HB       ARG  11   2.447  -2.866  -1.549
   64   1HG   ARG  11          2HG       ARG  11   4.946  -2.577  -1.224
   65   2HG   ARG  11          1HG       ARG  11   5.121  -4.127  -2.051
   66   1HD   ARG  11          2HD       ARG  11   3.967  -3.256  -3.992
   67   2HD   ARG  11          1HD       ARG  11   3.675  -1.728  -3.164
   68    HE   ARG  11           HE       ARG  11   6.441  -2.262  -3.233
   69   1HH1  ARG  11          1HH1      ARG  11   3.791  -1.294  -5.288
   70   2HH1  ARG  11          2HH1      ARG  11   4.795  -0.451  -6.422
   71   1HH2  ARG  11          1HH2      ARG  11   7.790  -1.145  -4.719
   72   2HH2  ARG  11          2HH2      ARG  11   7.083  -0.365  -6.093
   73    H    CYS  12           H        CYS  12   2.307  -3.713   2.425
   74    HA   CYS  12           HA       CYS  12   3.983  -1.406   2.974
   75   1HB   CYS  12          2HB       CYS  12   2.029  -0.379   1.935
   76   2HB   CYS  12          1HB       CYS  12   0.959  -1.258   3.021