*HEADER    TOXIN                                   29-SEP-05   2B5P              
*TITLE     SOLUTION STRUCTURE OF RIBBON ISOFORM OF CMRVIA LAMBDA                 
*TITLE    2 CONOTOXIN                                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LAMBDA-CONOTOXIN CMRVIA;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED USING FMOC-CHEMISTRY           
*SOURCE   4 SOLID PHASE PEPTIDE SYNTHESIS. THE SEQUENCE OF THE PEPTIDE           
*SOURCE   5 IS NATURALLY FOUND IN CONUS MARMOREUS (MARBLE CONE).                 
*KEYWDS    CONOTOXIN, DISULFIDE LINKAGE, RIBBON CONFORMATION                     
*EXPDTA    NMR, 16 STRUCTURES                                                    
*AUTHOR    T.S.KANG, S.D.S.JOIS, R.M.KINI                                        
*REVDAT   1   29-AUG-06 2B5P    0                                                

!BIOSYM restraint 1
!
#distance
1:GLY_4:HA1        1:GLY_4:HA2         1.900  3.100  1.00  1.00 1000.000
1:LEU_7:HG         1:LEU_7:HD*         1.900  3.100  1.00  1.00 1000.000
1:PRO_10:HB1       1:PRO_10:HA         1.900  3.100  1.00  1.00 1000.000
1:TYR_5:HB*        1:TYR_5:HD*         1.900  3.100  1.00  1.00 1000.000
1:LYS_6:HB1        1:LYS_6:HB2         1.900  3.100  1.00  1.00 1000.000
1:PRO_10:HD*       1:HIS_9:HA          1.900  3.100  1.00  1.00 1000.000
1:PRO_10:HG        1:PRO_10:HA         1.900  3.100  1.00  1.00 1000.000
1:PRO_10:HB2       1:PRO_10:HA         1.900  3.100  1.00  1.00 1000.000
1:LEU_7:HB1        1:LEU_7:HG          1.900  3.100  1.00  1.00 1000.000
1:TYR_5:HB1        1:TYR_5:HA          1.900  3.100  1.00  1.00 1000.000
1:LYS_6:HB1        1:LYS_6:HD*         1.900  3.100  1.00  1.00 1000.000
1:LYS_6:HA         1:LYS_6:HN          1.900  3.100  1.00  1.00 1000.000
1:TYR_5:HA         1:TYR_5:HD*         1.900  3.100  1.00  1.00 1000.000
1:HIS_9:HA         1:HIS_9:HN          1.900  3.100  1.00  1.00 1000.000
1:VALn_1:HB        1:VALn_1:HA         1.900  3.100  1.00  1.00 1000.000
1:LYS_6:HB2        1:LYS_6:HD*         1.900  3.100  1.00  1.00 1000.000
1:LEU_7:HG         1:LEU_7:HB*         1.900  3.100  1.00  1.00 1000.000
1:LEU_7:HD*        1:LEU_7:HA          1.900  3.800  1.00  1.00 1000.000
1:GLY_4:HA2        1:GLY_4:HN          1.900  3.800  1.00  1.00 1000.000
1:LYS_6:HB1        1:LYS_6:HA          1.900  3.800  1.00  1.00 1000.000
1:HIS_9:HB*        1:HIS_9:HD2         1.900  3.800  1.00  1.00 1000.000
1:LYS_6:HD*        1:LYS_6:HE*         1.900  3.800  1.00  1.00 1000.000
1:TYR_5:HA         1:TYR_5:HN          1.900  3.800  1.00  1.00 1000.000
1:TYR_5:HB*        1:TYR_5:HN          1.900  3.800  1.00  1.00 1000.000
1:LYS_6:HA         1:LEU_7:HN          1.900  3.800  1.00  1.00 1000.000
1:VALn_1:HG1*      1:VALn_1:HA         1.900  3.800  1.00  1.00 1000.000
1:HIS_9:HA         1:HIS_9:HB*         1.900  3.800  1.00  1.00 1000.000
1:LEU_7:HA         1:LEU_7:HN          1.900  3.800  1.00  1.00 1000.000
1:LYS_6:HD*        1:LYS_6:HA          1.900  3.800  1.00  1.00 1000.000
1:HIS_9:HB*        1:HIS_9:HN          1.900  3.800  1.00  1.00 1000.000
1:LYS_6:HN         1:LEU_7:HN          1.900  3.800  1.00  1.00 1000.000
1:LEU_7:HB*        1:LEU_7:HA          1.900  3.800  1.00  1.00 1000.000
1:LYS_6:HB1        1:LYS_6:HN          1.900  3.800  1.00  1.00 1000.000
1:LEU_7:HD*        1:LEU_7:HN          1.900  3.800  1.00  1.00 1000.000
1:LEU_7:HB*        1:LEU_7:HN          1.900  3.800  1.00  1.00 1000.000
1:GLY_4:HA1        1:GLY_4:HN          1.900  5.000  1.00  1.00 1000.000
1:LYS_6:HB1        1:LEU_7:HN          1.900  5.000  1.00  1.00 1000.000
1:VALn_1:HG2*      1:VALn_1:HA         1.900  5.000  1.00  1.00 1000.000
1:LYS_6:HB1        1:LYS_6:HE*         1.900  5.000  1.00  1.00 1000.000
1:GLY_4:HA2        1:LYS_6:HE*         1.900  5.000  1.00  1.00 1000.000
1:LYS_6:HD*        1:LYS_6:HN          1.900  5.000  1.00  1.00 1000.000
1:LYS_6:HB2        1:LYS_6:HA          1.900  5.000  1.00  1.00 1000.000
1:GLY_4:HA2        1:TYR_5:HN          1.900  5.000  1.00  1.00 1000.000
1:GLY_4:HA1        1:TYR_5:HN          1.900  5.000  1.00  1.00 1000.000
1:GLY_4:HA1        1:LYS_6:HE*         1.900  5.000  1.00  1.00 1000.000
1:GLY_4:HA2        1:TYR_5:HA          1.900  5.000  1.00  1.00 1000.000
1:GLY_4:HN         1:LEU_7:HN          1.900  5.000  1.00  1.00 1000.000
1:LEU_7:HG         1:LEU_7:HA          1.900  5.000  1.00  1.00 1000.000
1:TYR_5:HD*        1:TYR_5:HN          1.900  5.000  1.00  1.00 1000.000
1:CYS_11:HB2       1:CYS_11:HB1        1.900  3.100  1.00  1.00 1000.000
1:CYS_8:HB2        1:CYS_8:HB1         1.900  3.100  1.00  1.00 1000.000
1:CYS_3:HB2        1:CYS_3:HB1         1.900  3.100  1.00  1.00 1000.000
1:CYS_2:HB1        1:CYS_2:HB2         1.900  3.100  1.00  1.00 1000.000
1:CYS_11:HB1       1:CYS_11:HA         1.900  3.100  1.00  1.00 1000.000
1:CYS_2:HA         1:CYS_3:HN          1.900  3.100  1.00  1.00 1000.000
1:VALn_1:HA        1:CYS_2:HN          1.900  3.100  1.00  1.00 1000.000
1:CYS_2:HA         1:CYS_2:HN          1.900  3.100  1.00  1.00 1000.000
1:CYS_3:HA         1:GLY_4:HN          1.900  3.100  1.00  1.00 1000.000
1:CYS_11:HB2       1:CYS_11:HA         1.900  3.100  1.00  1.00 1000.000
1:CYS_2:HB1        1:CYS_2:HA          1.900  3.100  1.00  1.00 1000.000
1:CYS_8:HA         1:HIS_9:HN          1.900  3.100  1.00  1.00 1000.000
1:VALn_1:HB        1:CYS_2:HN          1.900  3.800  1.00  1.00 1000.000
1:CYS_11:HA        1:CYS_11:HN         1.900  3.800  1.00  1.00 1000.000
1:CYS_2:HB2        1:CYS_2:HN          1.900  3.800  1.00  1.00 1000.000
1:CYS_11:HB2       1:CYS_11:HN         1.900  3.800  1.00  1.00 1000.000
1:CYS_8:HB1        1:CYS_8:HN          1.900  3.800  1.00  1.00 1000.000
1:CYS_8:HB2        1:CYS_8:HA          1.900  3.800  1.00  1.00 1000.000
1:CYS_2:HB2        1:CYS_11:HA         1.900  3.800  1.00  1.00 1000.000
1:CYS_8:HB2        1:HIS_9:HN          1.900  3.800  1.00  1.00 1000.000
1:CYS_2:HB2        1:CYS_2:HA          1.900  3.800  1.00  1.00 1000.000
1:CYS_3:HA         1:CYS_3:HN          1.900  5.000  1.00  1.00 1000.000
1:CYS_2:HB2        1:CYS_11:HB1        1.900  5.000  1.00  1.00 1000.000
1:VALn_1:HG*       1:CYS_2:HN          1.900  5.000  1.00  1.00 1000.000
1:VALn_1:HG2*      1:CYS_8:HB2         1.900  5.000  1.00  1.00 1000.000
1:CYS_2:HB1        1:CYS_11:HA         1.900  5.000  1.00  1.00 1000.000
1:LEU_7:HG         1:CYS_8:HN          1.900  5.000  1.00  1.00 1000.000
1:CYS_8:HA         1:CYS_8:HN          1.900  5.000  1.00  1.00 1000.000
1:LEU_7:HB*        1:CYS_8:HN          1.900  5.000  1.00  1.00 1000.000
1:CYS_11:HN        1:PRO_10:HA         1.900  3.100  1.00  1.00 1000.000

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    VAL   1          1H        VAL   1   7.872  13.408  -1.767
    2   2H    VAL   1          2H        VAL   1   8.081  12.906  -0.239
    3    HA   VAL   1           HA       VAL   1  10.038  14.256  -1.993
    4    HB   VAL   1           HB       VAL   1   8.866  15.088   0.725
    5   1HG1  VAL   1          1HG1      VAL   1  10.696  16.713  -1.175
    6   2HG1  VAL   1          2HG1      VAL   1   9.963  17.312   0.328
    7   3HG1  VAL   1          3HG1      VAL   1  11.189  16.039   0.395
    8   1HG2  VAL   1          1HG2      VAL   1   7.706  16.938  -0.494
    9   2HG2  VAL   1          2HG2      VAL   1   8.269  16.294  -2.059
   10   3HG2  VAL   1          3HG2      VAL   1   7.131  15.366  -1.053
   11    H    CYS   2           H        CYS   2   9.919  13.232   1.420
   12    HA   CYS   2           HA       CYS   2  12.929  13.092   1.427
   13   1HB   CYS   2          1HB       CYS   2  11.549  14.546   2.920
   14   2HB   CYS   2          2HB       CYS   2  10.803  13.131   3.648
   15    H    CYS   3           H        CYS   3  12.859  11.068   0.164
   16    HA   CYS   3           HA       CYS   3  11.945   8.602   1.321
   17   1HB   CYS   3          1HB       CYS   3  12.739   7.531  -0.654
   18   2HB   CYS   3          2HB       CYS   3  12.065   9.085  -1.106
   19    H    GLY   4           H        GLY   4  15.429   9.472   1.087
   20   1HA   GLY   4          1HA       GLY   4  16.575   8.590   3.427
   21   2HA   GLY   4          2HA       GLY   4  16.097   7.014   2.851
   22    H    TYR   5           H        TYR   5  16.742   6.927   0.314
   23    HA   TYR   5           HA       TYR   5  19.722   6.984   0.043
   24   1HB   TYR   5          1HB       TYR   5  19.349   6.204  -2.254
   25   2HB   TYR   5          2HB       TYR   5  18.615   5.192  -1.066
   26    HD1  TYR   5           HD1      TYR   5  16.095   5.084  -0.839
   27    HD2  TYR   5           HD2      TYR   5  17.957   7.390  -3.946
   28    HE1  TYR   5           HE1      TYR   5  13.961   5.152  -2.070
   29    HE2  TYR   5           HE2      TYR   5  15.787   7.475  -5.154
   30    HH   TYR   5           HH       TYR   5  12.835   6.192  -3.763
   31    H    LYS   6           H        LYS   6  20.960   8.407  -1.239
   32    HA   LYS   6           HA       LYS   6  19.875  11.207  -1.025
   33   1HB   LYS   6          1HB       LYS   6  22.701  10.156  -1.558
   34   2HB   LYS   6          2HB       LYS   6  22.297  11.847  -1.404
   35   1HG   LYS   6          1HG       LYS   6  22.024   9.779   0.845
   36   2HG   LYS   6          2HG       LYS   6  23.268  10.977   0.660
   37   1HD   LYS   6          1HD       LYS   6  22.018  12.314   1.997
   38   2HD   LYS   6          2HD       LYS   6  21.073  12.671   0.566
   39   1HE   LYS   6          1HE       LYS   6  19.514  10.669   1.217
   40   2HE   LYS   6          2HE       LYS   6  20.457  10.528   2.711
   41   1HZ   LYS   6          1HZ       LYS   6  18.942  12.917   1.762
   42   2HZ   LYS   6          2HZ       LYS   6  19.937  12.977   3.055
   43    H    LEU   7           H        LEU   7  19.096   9.601  -3.399
   44    HA   LEU   7           HA       LEU   7  19.062  11.904  -5.362
   45   1HB   LEU   7          1HB       LEU   7  17.182   9.511  -4.903
   46   2HB   LEU   7          2HB       LEU   7  16.852  10.737  -6.088
   47    HG   LEU   7           HG       LEU   7  19.432   9.044  -6.156
   48   1HD1  LEU   7          1HD1      LEU   7  16.735   8.609  -7.602
   49   2HD1  LEU   7          2HD1      LEU   7  18.260   7.829  -8.081
   50   3HD1  LEU   7          3HD1      LEU   7  17.578   7.495  -6.494
   51   1HD2  LEU   7          1HD2      LEU   7  18.121  10.889  -8.273
   52   2HD2  LEU   7          2HD2      LEU   7  19.656  11.184  -7.419
   53   3HD2  LEU   7          3HD2      LEU   7  19.517   9.832  -8.552
   54    H    CYS   8           H        CYS   8  17.445  11.064  -2.313
   55    HA   CYS   8           HA       CYS   8  15.682  13.565  -2.445
   56   1HB   CYS   8          1HB       CYS   8  15.804  11.331  -0.320
   57   2HB   CYS   8          2HB       CYS   8  14.541  12.553  -0.527
   58    H    HIS   9           H        HIS   9  17.089  15.297  -2.005
   59    HA   HIS   9           HA       HIS   9  18.659  15.263   0.631
   60   1HB   HIS   9          1HB       HIS   9  18.976  16.987  -1.861
   61   2HB   HIS   9          2HB       HIS   9  19.612  17.501  -0.320
   62    HD2  HIS   9           HD2      HIS   9  21.315  15.510   0.979
   63    HE1  HIS   9           HE1      HIS   9  22.921  14.442  -2.723
   64    HE2  HIS   9           HE2      HIS   9  23.395  14.298  -0.204
   65    HA   HYP  10           HA       HYP  10  16.289  19.149   1.869
   66   1HB   HYP  10          1HB       HYP  10  14.450  20.456   0.297
   67   2HB   HYP  10          2HB       HYP  10  16.202  20.655   0.161
   68   1HD   HYP  10          1HD       HYP  10  16.261  17.357  -1.888
   69   2HD   HYP  10          2HD       HYP  10  17.465  18.626  -1.501
   70    HOD  HYP  10           HG2      HYP  10  16.548  20.613  -2.082
   71    HG   HYP  10           HG       HYP  10  14.412  18.780  -1.487
   72    H    CYS  11           H        CYS  11  15.282  18.003   3.439
   73    HA   CYS  11           HA       CYS  11  13.101  16.123   2.917
   74   1HB   CYS  11          1HB       CYS  11  15.041  15.807   4.495
   75   2HB   CYS  11          2HB       CYS  11  14.346  17.002   5.598
   76    HXT  CYS  11           HXT      CYS  11  11.170  18.690   5.333
  Start of MODEL    2
    1   1H    VAL   1          1H        VAL   1   9.111  11.975  -2.585
    2   2H    VAL   1          2H        VAL   1   7.591  12.193  -2.050
    3    HA   VAL   1           HA       VAL   1   9.136  14.046  -1.615
    4    HB   VAL   1           HB       VAL   1   7.743  12.876   0.855
    5   1HG1  VAL   1          1HG1      VAL   1   8.494  15.820   0.217
    6   2HG1  VAL   1          2HG1      VAL   1   7.550  15.274   1.619
    7   3HG1  VAL   1          3HG1      VAL   1   9.248  14.813   1.472
    8   1HG2  VAL   1          1HG2      VAL   1   5.790  14.332   0.229
    9   2HG2  VAL   1          2HG2      VAL   1   6.616  14.808  -1.277
   10   3HG2  VAL   1          3HG2      VAL   1   6.100  13.125  -1.028
   11    H    CYS   2           H        CYS   2   9.643  11.621   0.998
   12    HA   CYS   2           HA       CYS   2  12.590  12.541   1.139
   13   1HB   CYS   2          1HB       CYS   2  11.097  13.710   2.707
   14   2HB   CYS   2          2HB       CYS   2  10.450  12.191   3.341
   15    H    CYS   3           H        CYS   3  13.032  10.579  -0.150
   16    HA   CYS   3           HA       CYS   3  12.698   7.934   1.143
   17   1HB   CYS   3          1HB       CYS   3  13.536   7.013  -0.867
   18   2HB   CYS   3          2HB       CYS   3  12.529   8.373  -1.346
   19    H    GLY   4           H        GLY   4  15.328  10.077   1.682
   20   1HA   GLY   4          1HA       GLY   4  16.843   9.543   3.621
   21   2HA   GLY   4          2HA       GLY   4  16.652   7.839   3.357
   22    H    TYR   5           H        TYR   5  17.421   7.474   0.807
   23    HA   TYR   5           HA       TYR   5  20.368   7.948   0.766
   24   1HB   TYR   5          1HB       TYR   5  20.389   6.769  -1.382
   25   2HB   TYR   5          2HB       TYR   5  19.607   5.869  -0.130
   26    HD1  TYR   5           HD1      TYR   5  17.244   5.235  -0.312
   27    HD2  TYR   5           HD2      TYR   5  18.982   7.802  -3.293
   28    HE1  TYR   5           HE1      TYR   5  15.285   4.896  -1.750
   29    HE2  TYR   5           HE2      TYR   5  17.007   7.436  -4.740
   30    HH   TYR   5           HH       TYR   5  14.231   5.514  -3.593
   31    H    LYS   6           H        LYS   6  21.557   9.262  -0.601
   32    HA   LYS   6           HA       LYS   6  20.226  11.919  -1.027
   33   1HB   LYS   6          1HB       LYS   6  23.166  11.079  -1.225
   34   2HB   LYS   6          2HB       LYS   6  22.606  12.716  -1.420
   35   1HG   LYS   6          1HG       LYS   6  22.454  11.072   1.170
   36   2HG   LYS   6          2HG       LYS   6  23.521  12.401   0.799
   37   1HD   LYS   6          1HD       LYS   6  22.011  13.726   1.884
   38   2HD   LYS   6          2HD       LYS   6  21.135  13.717   0.368
   39   1HE   LYS   6          1HE       LYS   6  19.880  11.565   1.299
   40   2HE   LYS   6          2HE       LYS   6  20.653  11.921   2.848
   41   1HZ   LYS   6          1HZ       LYS   6  18.696  13.540   1.314
   42   2HZ   LYS   6          2HZ       LYS   6  19.674  14.309   2.360
   43    H    LEU   7           H        LEU   7  19.219  10.327  -2.853
   44    HA   LEU   7           HA       LEU   7  19.534  12.421  -5.072
   45   1HB   LEU   7          1HB       LEU   7  17.918   9.793  -5.176
   46   2HB   LEU   7          2HB       LEU   7  17.519  11.178  -6.145
   47    HG   LEU   7           HG       LEU   7  19.937  11.181  -7.079
   48   1HD1  LEU   7          1HD1      LEU   7  19.898   8.313  -5.898
   49   2HD1  LEU   7          2HD1      LEU   7  21.070   8.908  -7.102
   50   3HD1  LEU   7          3HD1      LEU   7  21.050   9.612  -5.480
   51   1HD2  LEU   7          1HD2      LEU   7  18.049   8.817  -7.732
   52   2HD2  LEU   7          2HD2      LEU   7  17.930  10.465  -8.393
   53   3HD2  LEU   7          3HD2      LEU   7  19.330   9.460  -8.788
   54    H    CYS   8           H        CYS   8  17.462  11.156  -2.460
   55    HA   CYS   8           HA       CYS   8  15.428  13.378  -2.759
   56   1HB   CYS   8          1HB       CYS   8  15.746  11.229  -0.571
   57   2HB   CYS   8          2HB       CYS   8  14.343  12.279  -0.841
   58    H    HIS   9           H        HIS   9  16.615  15.239  -2.397
   59    HA   HIS   9           HA       HIS   9  18.122  15.647   0.194
   60   1HB   HIS   9          1HB       HIS   9  17.920  17.326  -2.352
   61   2HB   HIS   9          2HB       HIS   9  18.652  17.933  -0.893
   62    HD2  HIS   9           HD2      HIS   9  20.965  16.797  -0.003
   63    HE1  HIS   9           HE1      HIS   9  21.792  14.676  -3.498
   64    HE2  HIS   9           HE2      HIS   9  22.864  15.431  -1.275
   65    HA   HYP  10           HA       HYP  10  15.080  19.049   1.488
   66   1HB   HYP  10          1HB       HYP  10  12.860  19.796   0.023
   67   2HB   HYP  10          2HB       HYP  10  14.499  20.390  -0.295
   68   1HD   HYP  10          1HD       HYP  10  15.207  17.088  -2.196
   69   2HD   HYP  10          2HD       HYP  10  16.071  18.630  -1.950
   70    HOD  HYP  10           HG2      HYP  10  14.612  20.224  -2.616
   71    HG   HYP  10           HG       HYP  10  13.088  18.007  -1.637
   72    H    CYS  11           H        CYS  11  14.413  17.895   3.222
   73    HA   CYS  11           HA       CYS  11  12.012  15.987   3.013
   74   1HB   CYS  11          1HB       CYS  11  14.288  15.036   3.562
   75   2HB   CYS  11          2HB       CYS  11  14.333  16.015   5.042
   76    HXT  CYS  11           HXT      CYS  11  11.898  18.374   6.266
  Start of MODEL    3
    1   1H    VAL   1          1H        VAL   1   7.241  13.021  -0.884
    2   2H    VAL   1          2H        VAL   1   7.887  12.155   0.330
    3    HA   VAL   1           HA       VAL   1   9.474  13.664  -1.663
    4    HB   VAL   1           HB       VAL   1   8.675  14.504   1.189
    5   1HG1  VAL   1          1HG1      VAL   1  10.356  16.086  -0.876
    6   2HG1  VAL   1          2HG1      VAL   1   9.834  16.665   0.723
    7   3HG1  VAL   1          3HG1      VAL   1  10.995  15.343   0.608
    8   1HG2  VAL   1          1HG2      VAL   1   7.472  16.411   0.130
    9   2HG2  VAL   1          2HG2      VAL   1   7.832  15.776  -1.498
   10   3HG2  VAL   1          3HG2      VAL   1   6.776  14.878  -0.382
   11    H    CYS   2           H        CYS   2   9.844  12.830   1.754
   12    HA   CYS   2           HA       CYS   2  12.759  12.565   1.321
   13   1HB   CYS   2          1HB       CYS   2  11.723  13.988   3.027
   14   2HB   CYS   2          2HB       CYS   2  10.994  12.593   3.840
   15    H    CYS   3           H        CYS   3  12.801  10.555   0.127
   16    HA   CYS   3           HA       CYS   3  12.497   7.985   1.546
   17   1HB   CYS   3          1HB       CYS   3  13.398   6.992  -0.437
   18   2HB   CYS   3          2HB       CYS   3  12.320   8.288  -0.929
   19    H    GLY   4           H        GLY   4  15.333  10.065   1.372
   20   1HA   GLY   4          1HA       GLY   4  16.996   9.954   3.201
   21   2HA   GLY   4          2HA       GLY   4  16.698   8.273   3.467
   22    H    TYR   5           H        TYR   5  17.124   7.591   0.587
   23    HA   TYR   5           HA       TYR   5  20.124   7.709   0.347
   24   1HB   TYR   5          1HB       TYR   5  19.942   6.491  -1.735
   25   2HB   TYR   5          2HB       TYR   5  19.105   5.667  -0.466
   26    HD1  TYR   5           HD1      TYR   5  16.672   5.323  -0.580
   27    HD2  TYR   5           HD2      TYR   5  18.636   7.608  -3.642
   28    HE1  TYR   5           HE1      TYR   5  14.650   5.237  -1.950
   29    HE2  TYR   5           HE2      TYR   5  16.557   7.568  -4.979
   30    HH   TYR   5           HH       TYR   5  13.549   6.213  -3.628
   31    H    LYS   6           H        LYS   6  21.270   8.923  -1.135
   32    HA   LYS   6           HA       LYS   6  20.151  11.640  -1.456
   33   1HB   LYS   6          1HB       LYS   6  22.920  10.538  -2.152
   34   2HB   LYS   6          2HB       LYS   6  22.499  12.226  -2.163
   35   1HG   LYS   6          1HG       LYS   6  22.573  10.421   0.337
   36   2HG   LYS   6          2HG       LYS   6  23.743  11.610  -0.150
   37   1HD   LYS   6          1HD       LYS   6  22.677  12.967   1.312
   38   2HD   LYS   6          2HD       LYS   6  21.635  13.329  -0.056
   39   1HE   LYS   6          1HE       LYS   6  20.003  11.478   0.804
   40   2HE   LYS   6          2HE       LYS   6  21.096  11.221   2.163
   41   1HZ   LYS   6          1HZ       LYS   6  19.675  13.753   1.483
   42   2HZ   LYS   6          2HZ       LYS   6  20.820  13.690   2.624
   43    H    LEU   7           H        LEU   7  18.754  10.073  -3.189
   44    HA   LEU   7           HA       LEU   7  18.858  12.153  -5.443
   45   1HB   LEU   7          1HB       LEU   7  16.820   9.877  -5.244
   46   2HB   LEU   7          2HB       LEU   7  16.911  11.101  -6.486
   47    HG   LEU   7           HG       LEU   7  18.920   8.815  -6.029
   48   1HD1  LEU   7          1HD1      LEU   7  17.000   9.410  -8.389
   49   2HD1  LEU   7          2HD1      LEU   7  18.089   8.009  -8.245
   50   3HD1  LEU   7          3HD1      LEU   7  16.719   8.187  -7.134
   51   1HD2  LEU   7          1HD2      LEU   7  19.035  11.062  -8.155
   52   2HD2  LEU   7          2HD2      LEU   7  20.218  10.775  -6.855
   53   3HD2  LEU   7          3HD2      LEU   7  20.042   9.592  -8.160
   54    H    CYS   8           H        CYS   8  17.127  11.118  -2.508
   55    HA   CYS   8           HA       CYS   8  15.128  13.400  -2.699
   56   1HB   CYS   8          1HB       CYS   8  15.595  11.347  -0.435
   57   2HB   CYS   8          2HB       CYS   8  14.193  12.408  -0.639
   58    H    HIS   9           H        HIS   9  15.991  15.369  -2.208
   59    HA   HIS   9           HA       HIS   9  18.183  15.594  -0.072
   60   1HB   HIS   9          1HB       HIS   9  17.628  17.377  -2.479
   61   2HB   HIS   9          2HB       HIS   9  18.744  17.783  -1.195
   62    HD2  HIS   9           HD2      HIS   9  20.794  15.791  -0.725
   63    HE1  HIS   9           HE1      HIS   9  20.675  14.400  -4.659
   64    HE2  HIS   9           HE2      HIS   9  22.152  14.380  -2.526
   65    HA   HYP  10           HA       HYP  10  15.814  19.058   2.030
   66   1HB   HYP  10          1HB       HYP  10  13.582  20.304   0.953
   67   2HB   HYP  10          2HB       HYP  10  15.260  20.751   0.618
   68   1HD   HYP  10          1HD       HYP  10  15.371  17.793  -1.893
   69   2HD   HYP  10          2HD       HYP  10  16.480  19.124  -1.440
   70    HOD  HYP  10           HG2      HYP  10  15.204  21.127  -1.570
   71    HG   HYP  10           HG       HYP  10  13.448  18.909  -1.023
   72    H    CYS  11           H        CYS  11  15.139  17.866   3.667
   73    HA   CYS  11           HA       CYS  11  12.809  15.928   3.398
   74   1HB   CYS  11          1HB       CYS  11  15.152  15.130   3.912
   75   2HB   CYS  11          2HB       CYS  11  15.116  16.030   5.444
   76    HXT  CYS  11           HXT      CYS  11  12.492  18.079   6.805
  Start of MODEL    4
    1   1H    VAL   1          1H        VAL   1   7.543  11.771  -0.313
    2   2H    VAL   1          2H        VAL   1   8.154  11.110   1.039
    3    HA   VAL   1           HA       VAL   1   9.596  12.859  -0.866
    4    HB   VAL   1           HB       VAL   1   8.530  13.419   1.952
    5   1HG1  VAL   1          1HG1      VAL   1  10.283  15.289   0.202
    6   2HG1  VAL   1          2HG1      VAL   1   9.455  15.759   1.703
    7   3HG1  VAL   1          3HG1      VAL   1  10.757  14.570   1.758
    8   1HG2  VAL   1          1HG2      VAL   1   7.234  15.243   0.847
    9   2HG2  VAL   1          2HG2      VAL   1   7.895  14.805  -0.747
   10   3HG2  VAL   1          3HG2      VAL   1   6.818  13.685   0.122
   11    H    CYS   2           H        CYS   2  10.121  11.758   2.522
   12    HA   CYS   2           HA       CYS   2  13.045  12.164   2.025
   13   1HB   CYS   2          1HB       CYS   2  11.856  13.212   3.881
   14   2HB   CYS   2          2HB       CYS   2  11.368  11.653   4.547
   15    H    CYS   3           H        CYS   3  13.014  10.209   0.536
   16    HA   CYS   3           HA       CYS   3  13.292   7.554   1.719
   17   1HB   CYS   3          1HB       CYS   3  13.750   6.809  -0.515
   18   2HB   CYS   3          2HB       CYS   3  12.545   8.083  -0.637
   19    H    GLY   4           H        GLY   4  15.813   9.887   1.613
   20   1HA   GLY   4          1HA       GLY   4  17.770   9.444   3.132
   21   2HA   GLY   4          2HA       GLY   4  17.768   7.758   2.713
   22    H    TYR   5           H        TYR   5  18.052   7.540   0.181
   23    HA   TYR   5           HA       TYR   5  20.792   8.409  -0.539
   24   1HB   TYR   5          1HB       TYR   5  20.404   7.244  -2.668
   25   2HB   TYR   5          2HB       TYR   5  20.006   6.268  -1.301
   26    HD1  TYR   5           HD1      TYR   5  17.642   5.602  -0.841
   27    HD2  TYR   5           HD2      TYR   5  18.591   8.032  -4.260
   28    HE1  TYR   5           HE1      TYR   5  15.407   5.196  -1.751
   29    HE2  TYR   5           HE2      TYR   5  16.340   7.585  -5.181
   30    HH   TYR   5           HH       TYR   5  13.933   5.676  -3.371
   31    H    LYS   6           H        LYS   6  21.386   9.579  -2.536
   32    HA   LYS   6           HA       LYS   6  20.195  12.316  -2.228
   33   1HB   LYS   6          1HB       LYS   6  22.624  11.473  -3.883
   34   2HB   LYS   6          2HB       LYS   6  22.204  13.090  -3.403
   35   1HG   LYS   6          1HG       LYS   6  23.153  10.836  -1.504
   36   2HG   LYS   6          2HG       LYS   6  24.121  12.108  -2.192
   37   1HD   LYS   6          1HD       LYS   6  23.787  12.982  -0.129
   38   2HD   LYS   6          2HD       LYS   6  22.519  13.825  -1.005
   39   1HE   LYS   6          1HE       LYS   6  20.781  12.213  -0.059
   40   2HE   LYS   6          2HE       LYS   6  22.052  11.244   0.691
   41   1HZ   LYS   6          1HZ       LYS   6  21.736  14.153   1.225
   42   2HZ   LYS   6          2HZ       LYS   6  22.711  13.145   2.008
   43    H    LEU   7           H        LEU   7  18.417  10.766  -3.568
   44    HA   LEU   7           HA       LEU   7  17.865  12.885  -5.714
   45   1HB   LEU   7          1HB       LEU   7  16.499  10.144  -5.368
   46   2HB   LEU   7          2HB       LEU   7  15.760  11.438  -6.271
   47    HG   LEU   7           HG       LEU   7  18.541  10.331  -7.010
   48   1HD1  LEU   7          1HD1      LEU   7  15.762   9.564  -8.139
   49   2HD1  LEU   7          2HD1      LEU   7  17.328   9.064  -8.824
   50   3HD1  LEU   7          3HD1      LEU   7  16.852   8.510  -7.213
   51   1HD2  LEU   7          1HD2      LEU   7  16.520  12.089  -8.586
   52   2HD2  LEU   7          2HD2      LEU   7  18.089  12.624  -7.942
   53   3HD2  LEU   7          3HD2      LEU   7  18.036  11.427  -9.240
   54    H    CYS   8           H        CYS   8  16.861  11.464  -2.627
   55    HA   CYS   8           HA       CYS   8  14.602  13.456  -2.256
   56   1HB   CYS   8          1HB       CYS   8  15.754  11.268  -0.400
   57   2HB   CYS   8          2HB       CYS   8  14.271  12.203  -0.134
   58    H    HIS   9           H        HIS   9  15.525  15.471  -2.046
   59    HA   HIS   9           HA       HIS   9  17.915  15.899  -0.227
   60   1HB   HIS   9          1HB       HIS   9  16.744  17.619  -2.449
   61   2HB   HIS   9          2HB       HIS   9  17.991  18.183  -1.355
   62    HD2  HIS   9           HD2      HIS   9  20.396  16.734  -1.328
   63    HE1  HIS   9           HE1      HIS   9  19.834  15.033  -5.096
   64    HE2  HIS   9           HE2      HIS   9  21.643  15.447  -3.290
   65    HA   HYP  10           HA       HYP  10  15.397  18.875   2.461
   66   1HB   HYP  10          1HB       HYP  10  12.909  19.848   1.780
   67   2HB   HYP  10          2HB       HYP  10  14.436  20.542   1.245
   68   1HD   HYP  10          1HD       HYP  10  14.476  17.671  -1.428
   69   2HD   HYP  10          2HD       HYP  10  15.493  19.121  -1.175
   70    HOD  HYP  10           HG2      HYP  10  14.108  20.984  -0.835
   71    HG   HYP  10           HG       HYP  10  12.631  18.579  -0.276
   72    H    CYS  11           H        CYS  11  15.259  17.200   3.915
   73    HA   CYS  11           HA       CYS  11  13.018  15.188   3.877
   74   1HB   CYS  11          1HB       CYS  11  15.421  14.595   4.439
   75   2HB   CYS  11          2HB       CYS  11  15.315  15.600   5.899
   76    HXT  CYS  11           HXT      CYS  11  12.592  17.725   7.035
  Start of MODEL    5
    1   1H    VAL   1          1H        VAL   1   8.140  12.187  -1.448
    2   2H    VAL   1          2H        VAL   1   8.485  11.290  -0.134
    3    HA   VAL   1           HA       VAL   1  10.203  13.381  -1.335
    4    HB   VAL   1           HB       VAL   1   8.640  13.351   1.305
    5   1HG1  VAL   1          1HG1      VAL   1  10.554  15.552   0.261
    6   2HG1  VAL   1          2HG1      VAL   1   9.479  15.701   1.670
    7   3HG1  VAL   1          3HG1      VAL   1  10.808  14.543   1.698
    8   1HG2  VAL   1          1HG2      VAL   1   7.457  15.352   0.375
    9   2HG2  VAL   1          2HG2      VAL   1   8.357  15.204  -1.154
   10   3HG2  VAL   1          3HG2      VAL   1   7.208  13.943  -0.664
   11    H    CYS   2           H        CYS   2  10.072  11.682   1.782
   12    HA   CYS   2           HA       CYS   2  13.038  11.999   1.959
   13   1HB   CYS   2          1HB       CYS   2  11.378  12.749   3.683
   14   2HB   CYS   2          2HB       CYS   2  10.938  11.074   4.021
   15    H    CYS   3           H        CYS   3  14.560  10.486   1.769
   16    HA   CYS   3           HA       CYS   3  13.957   7.550   2.196
   17   1HB   CYS   3          1HB       CYS   3  14.673   6.739   0.049
   18   2HB   CYS   3          2HB       CYS   3  13.331   7.853  -0.174
   19    H    GLY   4           H        GLY   4  16.796   9.186   0.770
   20   1HA   GLY   4          1HA       GLY   4  18.713   9.002   2.897
   21   2HA   GLY   4          2HA       GLY   4  18.598   7.336   2.350
   22    H    TYR   5           H        TYR   5  18.681   7.189  -0.151
   23    HA   TYR   5           HA       TYR   5  21.203   8.159  -1.283
   24   1HB   TYR   5          1HB       TYR   5  20.415   7.243  -3.404
   25   2HB   TYR   5          2HB       TYR   5  20.196   6.127  -2.104
   26    HD1  TYR   5           HD1      TYR   5  17.936   5.273  -1.554
   27    HD2  TYR   5           HD2      TYR   5  18.380   8.452  -4.416
   28    HE1  TYR   5           HE1      TYR   5  15.582   5.011  -2.223
   29    HE2  TYR   5           HE2      TYR   5  16.007   8.188  -5.051
   30    HH   TYR   5           HH       TYR   5  13.977   5.612  -3.805
   31    H    LYS   6           H        LYS   6  21.638   9.712  -2.933
   32    HA   LYS   6           HA       LYS   6  20.225  12.291  -2.278
   33   1HB   LYS   6          1HB       LYS   6  22.827  11.664  -3.780
   34   2HB   LYS   6          2HB       LYS   6  22.230  13.277  -3.509
   35   1HG   LYS   6          1HG       LYS   6  23.037  11.320  -1.257
   36   2HG   LYS   6          2HG       LYS   6  23.983  12.636  -1.898
   37   1HD   LYS   6          1HD       LYS   6  23.132  13.845  -0.166
   38   2HD   LYS   6          2HD       LYS   6  21.809  14.141  -1.268
   39   1HE   LYS   6          1HE       LYS   6  20.671  11.965  -0.131
   40   2HE   LYS   6          2HE       LYS   6  21.961  12.098   1.065
   41   1HZ   LYS   6          1HZ       LYS   6  19.811  14.038   0.440
   42   2HZ   LYS   6          2HZ       LYS   6  21.199  14.601   1.059
   43    H    LEU   7           H        LEU   7  18.597  10.806  -3.801
   44    HA   LEU   7           HA       LEU   7  17.805  13.164  -5.594
   45   1HB   LEU   7          1HB       LEU   7  16.509  10.399  -5.247
   46   2HB   LEU   7          2HB       LEU   7  15.621  11.730  -5.924
   47    HG   LEU   7           HG       LEU   7  18.323  10.951  -7.169
   48   1HD1  LEU   7          1HD1      LEU   7  15.582   9.723  -7.862
   49   2HD1  LEU   7          2HD1      LEU   7  17.088   9.493  -8.776
   50   3HD1  LEU   7          3HD1      LEU   7  16.964   8.869  -7.125
   51   1HD2  LEU   7          1HD2      LEU   7  15.778  12.255  -8.376
   52   2HD2  LEU   7          2HD2      LEU   7  17.214  13.155  -7.848
   53   3HD2  LEU   7          3HD2      LEU   7  17.339  12.007  -9.194
   54    H    CYS   8           H        CYS   8  17.280  11.598  -2.445
   55    HA   CYS   8           HA       CYS   8  14.932  13.389  -1.770
   56   1HB   CYS   8          1HB       CYS   8  16.441  11.287  -0.097
   57   2HB   CYS   8          2HB       CYS   8  14.904  12.068   0.308
   58    H    HIS   9           H        HIS   9  15.583  15.450  -1.524
   59    HA   HIS   9           HA       HIS   9  18.028  16.139   0.191
   60   1HB   HIS   9          1HB       HIS   9  16.677  17.785  -1.994
   61   2HB   HIS   9          2HB       HIS   9  17.922  18.397  -0.924
   62    HD2  HIS   9           HD2      HIS   9  20.436  17.141  -1.124
   63    HE1  HIS   9           HE1      HIS   9  19.721  15.410  -4.851
   64    HE2  HIS   9           HE2      HIS   9  21.616  15.897  -3.187
   65    HA   HYP  10           HA       HYP  10  15.025  18.547   2.949
   66   1HB   HYP  10          1HB       HYP  10  12.605  19.541   2.135
   67   2HB   HYP  10          2HB       HYP  10  14.146  20.318   1.763
   68   1HD   HYP  10          1HD       HYP  10  14.486  17.676  -1.106
   69   2HD   HYP  10          2HD       HYP  10  15.398  19.158  -0.698
   70    HOD  HYP  10           HG2      HYP  10  13.960  20.905  -0.349
   71    HG   HYP  10           HG       HYP  10  12.514  18.434  -0.035
   72    H    CYS  11           H        CYS  11  14.473  16.969   4.424
   73    HA   CYS  11           HA       CYS  11  12.661  14.676   3.678
   74   1HB   CYS  11          1HB       CYS  11  14.809  14.326   4.950
   75   2HB   CYS  11          2HB       CYS  11  14.150  15.270   6.301
   76    HXT  CYS  11           HXT      CYS  11  10.930  16.835   6.645
  Start of MODEL    6
    1   1H    VAL   1          1H        VAL   1   8.034  12.288  -0.738
    2   2H    VAL   1          2H        VAL   1   8.357  11.551   0.671
    3    HA   VAL   1           HA       VAL   1  10.160  13.344  -0.837
    4    HB   VAL   1           HB       VAL   1   8.744  13.728   1.855
    5   1HG1  VAL   1          1HG1      VAL   1  10.673  15.705   0.444
    6   2HG1  VAL   1          2HG1      VAL   1   9.731  16.044   1.908
    7   3HG1  VAL   1          3HG1      VAL   1  11.015  14.838   1.953
    8   1HG2  VAL   1          1HG2      VAL   1   7.613  15.680   0.760
    9   2HG2  VAL   1          2HG2      VAL   1   8.413  15.307  -0.789
   10   3HG2  VAL   1          3HG2      VAL   1   7.223  14.182  -0.095
   11    H    CYS   2           H        CYS   2  10.100  12.006   2.490
   12    HA   CYS   2           HA       CYS   2  13.080  12.368   2.486
   13   1HB   CYS   2          1HB       CYS   2  11.572  13.374   4.167
   14   2HB   CYS   2          2HB       CYS   2  11.045  11.783   4.722
   15    H    CYS   3           H        CYS   3  13.265  10.438   0.969
   16    HA   CYS   3           HA       CYS   3  13.360   7.780   2.279
   17   1HB   CYS   3          1HB       CYS   3  13.800   6.864   0.178
   18   2HB   CYS   3          2HB       CYS   3  12.651   8.160  -0.096
   19    H    GLY   4           H        GLY   4  16.123   9.705   1.050
   20   1HA   GLY   4          1HA       GLY   4  18.096   9.560   2.903
   21   2HA   GLY   4          2HA       GLY   4  18.021   7.841   2.644
   22    H    TYR   5           H        TYR   5  18.029   7.402   0.067
   23    HA   TYR   5           HA       TYR   5  20.641   8.157  -1.008
   24   1HB   TYR   5          1HB       TYR   5  19.981   7.026  -3.071
   25   2HB   TYR   5          2HB       TYR   5  19.617   6.083  -1.670
   26    HD1  TYR   5           HD1      TYR   5  17.287   5.463  -1.127
   27    HD2  TYR   5           HD2      TYR   5  18.088   8.049  -4.465
   28    HE1  TYR   5           HE1      TYR   5  14.983   5.147  -1.930
   29    HE2  TYR   5           HE2      TYR   5  15.774   7.699  -5.268
   30    HH   TYR   5           HH       TYR   5  13.377   6.097  -3.330
   31    H    LYS   6           H        LYS   6  21.293   9.518  -2.660
   32    HA   LYS   6           HA       LYS   6  20.046  12.169  -2.516
   33   1HB   LYS   6          1HB       LYS   6  22.487  11.261  -4.135
   34   2HB   LYS   6          2HB       LYS   6  22.061  12.916  -3.795
   35   1HG   LYS   6          1HG       LYS   6  22.946  10.848  -1.683
   36   2HG   LYS   6          2HG       LYS   6  23.897  12.127  -2.390
   37   1HD   LYS   6          1HD       LYS   6  23.356  13.144  -0.436
   38   2HD   LYS   6          2HD       LYS   6  22.075  13.801  -1.428
   39   1HE   LYS   6          1HE       LYS   6  20.433  12.072  -0.443
   40   2HE   LYS   6          2HE       LYS   6  21.756  11.341   0.449
   41   1HZ   LYS   6          1HZ       LYS   6  20.889  14.180   0.718
   42   2HZ   LYS   6          2HZ       LYS   6  22.114  13.500   1.538
   43    H    LEU   7           H        LEU   7  18.377  10.483  -4.039
   44    HA   LEU   7           HA       LEU   7  17.568  12.743  -5.949
   45   1HB   LEU   7          1HB       LEU   7  16.313   9.991  -5.406
   46   2HB   LEU   7          2HB       LEU   7  15.432  11.247  -6.217
   47    HG   LEU   7           HG       LEU   7  18.191  10.424  -7.318
   48   1HD1  LEU   7          1HD1      LEU   7  15.522   9.007  -7.917
   49   2HD1  LEU   7          2HD1      LEU   7  17.029   8.804  -8.843
   50   3HD1  LEU   7          3HD1      LEU   7  16.966   8.299  -7.150
   51   1HD2  LEU   7          1HD2      LEU   7  15.643  11.562  -8.658
   52   2HD2  LEU   7          2HD2      LEU   7  17.086  12.511  -8.247
   53   3HD2  LEU   7          3HD2      LEU   7  17.190  11.233  -9.473
   54    H    CYS   8           H        CYS   8  17.006  11.357  -2.726
   55    HA   CYS   8           HA       CYS   8  14.816  13.357  -2.059
   56   1HB   CYS   8          1HB       CYS   8  16.152  11.137  -0.383
   57   2HB   CYS   8          2HB       CYS   8  14.695  12.041   0.046
   58    H    HIS   9           H        HIS   9  15.901  15.341  -1.997
   59    HA   HIS   9           HA       HIS   9  18.309  15.670  -0.141
   60   1HB   HIS   9          1HB       HIS   9  17.258  17.499  -2.336
   61   2HB   HIS   9          2HB       HIS   9  18.480  17.981  -1.181
   62    HD2  HIS   9           HD2      HIS   9  20.854  16.438  -1.159
   63    HE1  HIS   9           HE1      HIS   9  20.476  15.335  -5.165
   64    HE2  HIS   9           HE2      HIS   9  22.196  15.471  -3.252
   65    HA   HYP  10           HA       HYP  10  15.764  18.580   2.553
   66   1HB   HYP  10          1HB       HYP  10  13.400  19.791   1.782
   67   2HB   HYP  10          2HB       HYP  10  15.002  20.399   1.358
   68   1HD   HYP  10          1HD       HYP  10  14.979  17.638  -1.422
   69   2HD   HYP  10          2HD       HYP  10  16.078  19.001  -1.082
   70    HOD  HYP  10           HG2      HYP  10  14.864  20.914  -0.790
   71    HG   HYP  10           HG       HYP  10  13.139  18.662  -0.339
   72    H    CYS  11           H        CYS  11  14.997  17.378   4.183
   73    HA   CYS  11           HA       CYS  11  13.144  15.040   3.697
   74   1HB   CYS  11          1HB       CYS  11  15.237  14.719   4.983
   75   2HB   CYS  11          2HB       CYS  11  14.741  15.943   6.170
   76    HXT  CYS  11           HXT      CYS  11  11.403  17.536   6.364
  Start of MODEL    7
    1   1H    VAL   1          1H        VAL   1   7.801  11.229  -0.603
    2   2H    VAL   1          2H        VAL   1   8.370  10.626   0.796
    3    HA   VAL   1           HA       VAL   1   9.695  12.612  -0.958
    4    HB   VAL   1           HB       VAL   1   8.592  12.856   1.906
    5   1HG1  VAL   1          1HG1      VAL   1   9.939  15.073   0.209
    6   2HG1  VAL   1          2HG1      VAL   1   9.165  15.296   1.795
    7   3HG1  VAL   1          3HG1      VAL   1  10.631  14.327   1.664
    8   1HG2  VAL   1          1HG2      VAL   1   7.014  14.544   0.961
    9   2HG2  VAL   1          2HG2      VAL   1   7.624  14.215  -0.684
   10   3HG2  VAL   1          3HG2      VAL   1   6.753  12.954   0.229
   11    H    CYS   2           H        CYS   2  10.192  11.532   2.375
   12    HA   CYS   2           HA       CYS   2  13.119  12.079   2.021
   13   1HB   CYS   2          1HB       CYS   2  11.753  13.109   3.761
   14   2HB   CYS   2          2HB       CYS   2  11.279  11.558   4.441
   15    H    CYS   3           H        CYS   3  13.532  10.283   0.657
   16    HA   CYS   3           HA       CYS   3  13.508   7.514   1.748
   17   1HB   CYS   3          1HB       CYS   3  14.086   6.831  -0.480
   18   2HB   CYS   3          2HB       CYS   3  12.819   8.044  -0.562
   19    H    GLY   4           H        GLY   4  16.361   9.278   0.437
   20   1HA   GLY   4          1HA       GLY   4  18.294   9.050   2.420
   21   2HA   GLY   4          2HA       GLY   4  18.206   7.358   1.980
   22    H    TYR   5           H        TYR   5  18.113   7.281  -0.642
   23    HA   TYR   5           HA       TYR   5  20.724   8.086  -1.756
   24   1HB   TYR   5          1HB       TYR   5  19.815   7.381  -3.940
   25   2HB   TYR   5          2HB       TYR   5  19.626   6.190  -2.706
   26    HD1  TYR   5           HD1      TYR   5  17.390   5.525  -1.899
   27    HD2  TYR   5           HD2      TYR   5  17.757   8.531  -4.942
   28    HE1  TYR   5           HE1      TYR   5  15.018   5.251  -2.450
   29    HE2  TYR   5           HE2      TYR   5  15.347   8.250  -5.485
   30    HH   TYR   5           HH       TYR   5  13.402   5.697  -3.939
   31    H    LYS   6           H        LYS   6  21.341   9.816  -2.947
   32    HA   LYS   6           HA       LYS   6  20.003  12.316  -2.246
   33   1HB   LYS   6          1HB       LYS   6  22.463  11.874  -4.015
   34   2HB   LYS   6          2HB       LYS   6  22.012  13.397  -3.302
   35   1HG   LYS   6          1HG       LYS   6  22.733  10.934  -1.574
   36   2HG   LYS   6          2HG       LYS   6  23.908  12.037  -2.217
   37   1HD   LYS   6          1HD       LYS   6  23.612  12.750  -0.041
   38   2HD   LYS   6          2HD       LYS   6  22.790  13.969  -0.979
   39   1HE   LYS   6          1HE       LYS   6  20.553  13.108  -0.339
   40   2HE   LYS   6          2HE       LYS   6  21.229  11.617   0.319
   41   1HZ   LYS   6          1HZ       LYS   6  20.709  13.326   2.018
   42   2HZ   LYS   6          2HZ       LYS   6  21.781  14.362   1.366
   43    H    LEU   7           H        LEU   7  18.519  10.873  -4.287
   44    HA   LEU   7           HA       LEU   7  17.579  13.340  -5.842
   45   1HB   LEU   7          1HB       LEU   7  16.368  10.523  -5.567
   46   2HB   LEU   7          2HB       LEU   7  15.625  11.820  -6.459
   47    HG   LEU   7           HG       LEU   7  18.430  10.763  -7.205
   48   1HD1  LEU   7          1HD1      LEU   7  15.712   9.904  -8.368
   49   2HD1  LEU   7          2HD1      LEU   7  17.316   9.424  -8.975
   50   3HD1  LEU   7          3HD1      LEU   7  16.786   8.885  -7.375
   51   1HD2  LEU   7          1HD2      LEU   7  16.332  12.373  -8.820
   52   2HD2  LEU   7          2HD2      LEU   7  17.817  13.050  -8.121
   53   3HD2  LEU   7          3HD2      LEU   7  17.925  11.836  -9.405
   54    H    CYS   8           H        CYS   8  17.091  11.639  -2.800
   55    HA   CYS   8           HA       CYS   8  14.890  13.572  -1.929
   56   1HB   CYS   8          1HB       CYS   8  16.170  11.223  -0.405
   57   2HB   CYS   8          2HB       CYS   8  14.754  12.169   0.084
   58    H    HIS   9           H        HIS   9  15.644  15.458  -1.187
   59    HA   HIS   9           HA       HIS   9  18.106  15.526   0.660
   60   1HB   HIS   9          1HB       HIS   9  17.500  17.515  -1.570
   61   2HB   HIS   9          2HB       HIS   9  18.429  17.965  -0.167
   62    HD2  HIS   9           HD2      HIS   9  20.931  17.018   0.094
   63    HE1  HIS   9           HE1      HIS   9  21.228  15.723  -3.856
   64    HE2  HIS   9           HE2      HIS   9  22.653  16.371  -1.838
   65    HA   HYP  10           HA       HYP  10  15.454  18.623   3.007
   66   1HB   HYP  10          1HB       HYP  10  13.251  19.928   1.991
   67   2HB   HYP  10          2HB       HYP  10  14.924  20.436   1.715
   68   1HD   HYP  10          1HD       HYP  10  15.059  17.648  -1.020
   69   2HD   HYP  10          2HD       HYP  10  16.160  18.969  -0.538
   70    HOD  HYP  10           HG2      HYP  10  15.072  20.806  -0.656
   71    HG   HYP  10           HG       HYP  10  13.145  18.739  -0.118
   72    H    CYS  11           H        CYS  11  14.719  17.264   4.489
   73    HA   CYS  11           HA       CYS  11  13.008  14.981   3.787
   74   1HB   CYS  11          1HB       CYS  11  15.093  14.856   5.172
   75   2HB   CYS  11          2HB       CYS  11  14.309  15.784   6.464
   76    HXT  CYS  11           HXT      CYS  11  10.851  17.007   6.546
  Start of MODEL    8
    1   1H    VAL   1          1H        VAL   1   8.378  11.357  -1.019
    2   2H    VAL   1          2H        VAL   1   8.421  10.869   0.526
    3    HA   VAL   1           HA       VAL   1  10.077  12.843  -0.838
    4    HB   VAL   1           HB       VAL   1   8.747  12.886   1.920
    5   1HG1  VAL   1          1HG1      VAL   1  10.058  15.215   0.349
    6   2HG1  VAL   1          2HG1      VAL   1   9.196  15.353   1.900
    7   3HG1  VAL   1          3HG1      VAL   1  10.719  14.463   1.820
    8   1HG2  VAL   1          1HG2      VAL   1   7.114  14.494   0.935
    9   2HG2  VAL   1          2HG2      VAL   1   7.838  14.272  -0.684
   10   3HG2  VAL   1          3HG2      VAL   1   7.012  12.925   0.125
   11    H    CYS   2           H        CYS   2  10.323  11.471   2.426
   12    HA   CYS   2           HA       CYS   2  13.270  12.146   2.330
   13   1HB   CYS   2          1HB       CYS   2  11.660  13.104   3.970
   14   2HB   CYS   2          2HB       CYS   2  11.303  11.507   4.625
   15    H    CYS   3           H        CYS   3  13.838  10.326   1.001
   16    HA   CYS   3           HA       CYS   3  13.861   7.587   2.237
   17   1HB   CYS   3          1HB       CYS   3  14.405   6.760   0.084
   18   2HB   CYS   3          2HB       CYS   3  13.134   7.956  -0.108
   19    H    GLY   4           H        GLY   4  16.579   9.593   1.002
   20   1HA   GLY   4          1HA       GLY   4  18.602   9.373   2.856
   21   2HA   GLY   4          2HA       GLY   4  18.567   7.684   2.414
   22    H    TYR   5           H        TYR   5  18.624   7.344  -0.032
   23    HA   TYR   5           HA       TYR   5  21.048   8.404  -1.279
   24   1HB   TYR   5          1HB       TYR   5  20.308   7.202  -3.309
   25   2HB   TYR   5          2HB       TYR   5  20.283   6.219  -1.889
   26    HD1  TYR   5           HD1      TYR   5  18.159   5.311  -0.995
   27    HD2  TYR   5           HD2      TYR   5  18.124   7.888  -4.437
   28    HE1  TYR   5           HE1      TYR   5  15.794   4.763  -1.389
   29    HE2  TYR   5           HE2      TYR   5  15.759   7.305  -4.834
   30    HH   TYR   5           HH       TYR   5  13.939   5.290  -2.518
   31    H    LYS   6           H        LYS   6  21.323   9.665  -3.114
   32    HA   LYS   6           HA       LYS   6  20.086  12.269  -2.565
   33   1HB   LYS   6          1HB       LYS   6  22.310  11.438  -4.506
   34   2HB   LYS   6          2HB       LYS   6  21.932  13.092  -4.139
   35   1HG   LYS   6          1HG       LYS   6  22.853  11.074  -1.974
   36   2HG   LYS   6          2HG       LYS   6  23.906  12.092  -2.916
   37   1HD   LYS   6          1HD       LYS   6  23.724  13.444  -1.102
   38   2HD   LYS   6          2HD       LYS   6  22.437  14.119  -2.073
   39   1HE   LYS   6          1HE       LYS   6  20.836  12.444  -0.621
   40   2HE   LYS   6          2HE       LYS   6  22.241  12.260   0.412
   41   1HZ   LYS   6          1HZ       LYS   6  21.025  14.866  -0.392
   42   2HZ   LYS   6          2HZ       LYS   6  22.353  14.724   0.521
   43    H    LEU   7           H        LEU   7  18.434  10.444  -4.353
   44    HA   LEU   7           HA       LEU   7  17.198  12.716  -5.972
   45   1HB   LEU   7          1HB       LEU   7  16.178   9.917  -5.239
   46   2HB   LEU   7          2HB       LEU   7  15.211  11.093  -6.090
   47    HG   LEU   7           HG       LEU   7  17.935  10.142  -7.196
   48   1HD1  LEU   7          1HD1      LEU   7  15.124   9.032  -7.775
   49   2HD1  LEU   7          2HD1      LEU   7  16.597   8.626  -8.686
   50   3HD1  LEU   7          3HD1      LEU   7  16.462   8.173  -6.978
   51   1HD2  LEU   7          1HD2      LEU   7  15.547  11.563  -8.575
   52   2HD2  LEU   7          2HD2      LEU   7  17.118  12.303  -8.198
   53   3HD2  LEU   7          3HD2      LEU   7  17.027  10.992  -9.378
   54    H    CYS   8           H        CYS   8  17.139  11.510  -2.661
   55    HA   CYS   8           HA       CYS   8  14.810  13.352  -1.916
   56   1HB   CYS   8          1HB       CYS   8  16.342  11.262  -0.254
   57   2HB   CYS   8          2HB       CYS   8  14.849  12.104   0.204
   58    H    HIS   9           H        HIS   9  15.538  15.393  -1.715
   59    HA   HIS   9           HA       HIS   9  17.939  15.991   0.121
   60   1HB   HIS   9          1HB       HIS   9  16.958  17.501  -2.327
   61   2HB   HIS   9          2HB       HIS   9  17.839  18.322  -1.074
   62    HD2  HIS   9           HD2      HIS   9  20.476  17.930  -0.875
   63    HE1  HIS   9           HE1      HIS   9  20.889  15.426  -4.177
   64    HE2  HIS   9           HE2      HIS   9  22.232  16.920  -2.611
   65    HA   HYP  10           HA       HYP  10  15.039  18.879   2.395
   66   1HB   HYP  10          1HB       HYP  10  12.638  19.837   1.438
   67   2HB   HYP  10          2HB       HYP  10  14.217  20.509   1.031
   68   1HD   HYP  10          1HD       HYP  10  14.503  17.532  -1.513
   69   2HD   HYP  10          2HD       HYP  10  15.486  18.998  -1.247
   70    HOD  HYP  10           HG2      HYP  10  14.097  20.872  -1.073
   71    HG   HYP  10           HG       HYP  10  12.541  18.518  -0.599
   72    H    CYS  11           H        CYS  11  14.574  17.501   3.996
   73    HA   CYS  11           HA       CYS  11  12.749  15.116   3.666
   74   1HB   CYS  11          1HB       CYS  11  14.991  14.960   4.835
   75   2HB   CYS  11          2HB       CYS  11  14.423  16.094   6.076
   76    HXT  CYS  11           HXT      CYS  11  11.246  18.019   6.058
  Start of MODEL    9
    1   1H    VAL   1          1H        VAL   1   9.062  10.408   0.061
    2   2H    VAL   1          2H        VAL   1  10.083  10.048  -1.170
    3    HA   VAL   1           HA       VAL   1  10.511  12.404  -1.599
    4    HB   VAL   1           HB       VAL   1   8.708  12.785   0.856
    5   1HG1  VAL   1          1HG1      VAL   1  10.356  14.981  -0.580
    6   2HG1  VAL   1          2HG1      VAL   1   9.140  15.245   0.690
    7   3HG1  VAL   1          3HG1      VAL   1  10.642  14.394   1.076
    8   1HG2  VAL   1          1HG2      VAL   1   7.348  14.253  -0.627
    9   2HG2  VAL   1          2HG2      VAL   1   8.447  13.953  -1.999
   10   3HG2  VAL   1          3HG2      VAL   1   7.464  12.634  -1.325
   11    H    CYS   2           H        CYS   2  10.369  11.665   1.868
   12    HA   CYS   2           HA       CYS   2  13.270  12.346   2.077
   13   1HB   CYS   2          1HB       CYS   2  11.508  13.386   3.453
   14   2HB   CYS   2          2HB       CYS   2  11.048  11.829   4.146
   15    H    CYS   3           H        CYS   3  14.189  10.485   1.109
   16    HA   CYS   3           HA       CYS   3  14.185   7.887   2.703
   17   1HB   CYS   3          1HB       CYS   3  14.904   6.831   0.685
   18   2HB   CYS   3          2HB       CYS   3  13.562   7.883   0.272
   19    H    GLY   4           H        GLY   4  16.735  10.059   1.438
   20   1HA   GLY   4          1HA       GLY   4  18.933  10.099   2.960
   21   2HA   GLY   4          2HA       GLY   4  18.864   8.357   2.941
   22    H    TYR   5           H        TYR   5  18.565   7.543   0.463
   23    HA   TYR   5           HA       TYR   5  20.941   8.292  -1.065
   24   1HB   TYR   5          1HB       TYR   5  20.207   6.806  -2.790
   25   2HB   TYR   5          2HB       TYR   5  19.924   6.077  -1.249
   26    HD1  TYR   5           HD1      TYR   5  17.599   5.651  -0.461
   27    HD2  TYR   5           HD2      TYR   5  18.288   7.508  -4.270
   28    HE1  TYR   5           HE1      TYR   5  15.268   5.211  -1.104
   29    HE2  TYR   5           HE2      TYR   5  15.979   6.968  -4.940
   30    HH   TYR   5           HH       TYR   5  13.904   4.992  -2.862
   31    H    LYS   6           H        LYS   6  21.155   9.258  -3.155
   32    HA   LYS   6           HA       LYS   6  20.099  11.994  -2.733
   33   1HB   LYS   6          1HB       LYS   6  22.262  10.909  -4.604
   34   2HB   LYS   6          2HB       LYS   6  21.962  12.604  -4.338
   35   1HG   LYS   6          1HG       LYS   6  22.910  10.644  -2.140
   36   2HG   LYS   6          2HG       LYS   6  23.912  11.706  -3.087
   37   1HD   LYS   6          1HD       LYS   6  23.701  13.092  -1.297
   38   2HD   LYS   6          2HD       LYS   6  22.312  13.660  -2.189
   39   1HE   LYS   6          1HE       LYS   6  20.884  11.964  -0.723
   40   2HE   LYS   6          2HE       LYS   6  22.360  11.678   0.198
   41   1HZ   LYS   6          1HZ       LYS   6  21.111  14.353  -0.241
   42   2HZ   LYS   6          2HZ       LYS   6  22.450  14.101   0.656
   43    H    LEU   7           H        LEU   7  18.222  10.239  -4.202
   44    HA   LEU   7           HA       LEU   7  17.100  12.487  -5.936
   45   1HB   LEU   7          1HB       LEU   7  15.738  10.015  -4.687
   46   2HB   LEU   7          2HB       LEU   7  14.884  11.262  -5.560
   47    HG   LEU   7           HG       LEU   7  16.994   9.406  -6.805
   48   1HD1  LEU   7          1HD1      LEU   7  13.916   9.504  -7.162
   49   2HD1  LEU   7          2HD1      LEU   7  15.034   8.357  -7.937
   50   3HD1  LEU   7          3HD1      LEU   7  14.770   8.299  -6.186
   51   1HD2  LEU   7          1HD2      LEU   7  15.180  11.567  -8.110
   52   2HD2  LEU   7          2HD2      LEU   7  16.956  11.588  -8.028
   53   3HD2  LEU   7          3HD2      LEU   7  16.135  10.367  -9.007
   54    H    CYS   8           H        CYS   8  17.255  11.489  -2.542
   55    HA   CYS   8           HA       CYS   8  15.030  13.352  -1.693
   56   1HB   CYS   8          1HB       CYS   8  16.826  11.413  -0.095
   57   2HB   CYS   8          2HB       CYS   8  15.322  12.172   0.465
   58    H    HIS   9           H        HIS   9  15.486  15.414  -1.242
   59    HA   HIS   9           HA       HIS   9  17.987  16.128   0.379
   60   1HB   HIS   9          1HB       HIS   9  17.119  17.648  -2.119
   61   2HB   HIS   9          2HB       HIS   9  18.148  18.332  -0.879
   62    HD2  HIS   9           HD2      HIS   9  20.688  17.399  -0.665
   63    HE1  HIS   9           HE1      HIS   9  20.642  14.907  -4.009
   64    HE2  HIS   9           HE2      HIS   9  22.253  16.038  -2.362
   65    HA   HYP  10           HA       HYP  10  14.919  19.034   2.444
   66   1HB   HYP  10          1HB       HYP  10  12.568  19.930   1.253
   67   2HB   HYP  10          2HB       HYP  10  14.147  20.691   1.167
   68   1HD   HYP  10          1HD       HYP  10  14.874  17.901  -1.549
   69   2HD   HYP  10          2HD       HYP  10  15.830  19.322  -1.031
   70    HOD  HYP  10           HG2      HYP  10  14.391  21.257  -0.841
   71    HG   HYP  10           HG       HYP  10  12.821  18.857  -0.888
   72    H    CYS  11           H        CYS  11  14.401  17.536   3.911
   73    HA   CYS  11           HA       CYS  11  12.678  15.257   3.444
   74   1HB   CYS  11          1HB       CYS  11  14.624  15.312   5.013
   75   2HB   CYS  11          2HB       CYS  11  13.730  16.386   6.108
   76    HXT  CYS  11           HXT      CYS  11  10.297  17.542   5.808
  Start of MODEL   10
    1   1H    VAL   1          1H        VAL   1   8.699  10.323   0.866
    2   2H    VAL   1          2H        VAL   1   9.350   9.766  -0.524
    3    HA   VAL   1           HA       VAL   1   9.765  11.962  -1.362
    4    HB   VAL   1           HB       VAL   1   8.609  12.947   1.305
    5   1HG1  VAL   1          1HG1      VAL   1   9.805  14.615  -1.017
    6   2HG1  VAL   1          2HG1      VAL   1   8.972  15.283   0.410
    7   3HG1  VAL   1          3HG1      VAL   1  10.508  14.432   0.602
    8   1HG2  VAL   1          1HG2      VAL   1   6.898  14.163  -0.080
    9   2HG2  VAL   1          2HG2      VAL   1   7.479  13.299  -1.532
   10   3HG2  VAL   1          3HG2      VAL   1   6.751  12.401  -0.186
   11    H    CYS   2           H        CYS   2  10.182  11.666   2.162
   12    HA   CYS   2           HA       CYS   2  13.077  12.414   1.910
   13   1HB   CYS   2          1HB       CYS   2  11.559  13.517   3.480
   14   2HB   CYS   2          2HB       CYS   2  11.156  11.995   4.284
   15    H    CYS   3           H        CYS   3  13.628  10.447   0.785
   16    HA   CYS   3           HA       CYS   3  13.805   7.896   2.276
   17   1HB   CYS   3          1HB       CYS   3  14.312   6.933   0.189
   18   2HB   CYS   3          2HB       CYS   3  13.105   8.160  -0.129
   19    H    GLY   4           H        GLY   4  16.314  10.281   1.835
   20   1HA   GLY   4          1HA       GLY   4  18.446  10.159   3.160
   21   2HA   GLY   4          2HA       GLY   4  18.299   8.429   3.307
   22    H    TYR   5           H        TYR   5  18.074   7.631   0.688
   23    HA   TYR   5           HA       TYR   5  20.759   8.047  -0.539
   24   1HB   TYR   5          1HB       TYR   5  20.079   6.602  -2.319
   25   2HB   TYR   5          2HB       TYR   5  19.667   5.901  -0.792
   26    HD1  TYR   5           HD1      TYR   5  17.355   5.358  -0.247
   27    HD2  TYR   5           HD2      TYR   5  18.218   7.543  -3.844
   28    HE1  TYR   5           HE1      TYR   5  15.061   4.964  -1.045
   29    HE2  TYR   5           HE2      TYR   5  15.904   7.176  -4.611
   30    HH   TYR   5           HH       TYR   5  13.640   5.150  -2.790
   31    H    LYS   6           H        LYS   6  21.356   9.356  -2.153
   32    HA   LYS   6           HA       LYS   6  19.871  11.878  -2.138
   33   1HB   LYS   6          1HB       LYS   6  22.587  11.138  -3.330
   34   2HB   LYS   6          2HB       LYS   6  22.014  12.773  -3.207
   35   1HG   LYS   6          1HG       LYS   6  22.313  10.996  -0.690
   36   2HG   LYS   6          2HG       LYS   6  23.627  11.871  -1.420
   37   1HD   LYS   6          1HD       LYS   6  22.949  13.200   0.339
   38   2HD   LYS   6          2HD       LYS   6  22.444  14.061  -1.098
   39   1HE   LYS   6          1HE       LYS   6  20.030  13.407  -0.673
   40   2HE   LYS   6          2HE       LYS   6  20.533  12.337   0.650
   41   1HZ   LYS   6          1HZ       LYS   6  21.006  15.284   0.530
   42   2HZ   LYS   6          2HZ       LYS   6  21.515  14.323   1.730
   43    H    LEU   7           H        LEU   7  18.377  10.272  -3.702
   44    HA   LEU   7           HA       LEU   7  17.834  12.492  -5.750
   45   1HB   LEU   7          1HB       LEU   7  16.101  10.038  -5.119
   46   2HB   LEU   7          2HB       LEU   7  15.685  11.319  -6.233
   47    HG   LEU   7           HG       LEU   7  18.030   9.357  -6.601
   48   1HD1  LEU   7          1HD1      LEU   7  15.292   9.536  -8.031
   49   2HD1  LEU   7          2HD1      LEU   7  16.603   8.364  -8.381
   50   3HD1  LEU   7          3HD1      LEU   7  15.767   8.325  -6.827
   51   1HD2  LEU   7          1HD2      LEU   7  16.993  11.553  -8.535
   52   2HD2  LEU   7          2HD2      LEU   7  18.576  11.531  -7.725
   53   3HD2  LEU   7          3HD2      LEU   7  18.205  10.302  -8.933
   54    H    CYS   8           H        CYS   8  17.215  11.470  -2.454
   55    HA   CYS   8           HA       CYS   8  14.928  13.445  -2.100
   56   1HB   CYS   8          1HB       CYS   8  16.158  11.384  -0.165
   57   2HB   CYS   8          2HB       CYS   8  14.610  12.230   0.000
   58    H    HIS   9           H        HIS   9  16.077  15.424  -2.206
   59    HA   HIS   9           HA       HIS   9  18.196  16.007  -0.101
   60   1HB   HIS   9          1HB       HIS   9  17.362  17.466  -2.640
   61   2HB   HIS   9          2HB       HIS   9  18.201  18.322  -1.373
   62    HD2  HIS   9           HD2      HIS   9  20.766  17.847  -0.949
   63    HE1  HIS   9           HE1      HIS   9  21.364  14.879  -3.801
   64    HE2  HIS   9           HE2      HIS   9  22.637  16.371  -2.142
   65    HA   HYP  10           HA       HYP  10  15.322  18.989   2.062
   66   1HB   HYP  10          1HB       HYP  10  13.095  20.159   1.002
   67   2HB   HYP  10          2HB       HYP  10  14.738  20.640   0.560
   68   1HD   HYP  10          1HD       HYP  10  14.674  17.478  -1.749
   69   2HD   HYP  10          2HD       HYP  10  15.804  18.855  -1.704
   70    HOD  HYP  10           HG2      HYP  10  14.765  20.767  -1.800
   71    HG   HYP  10           HG       HYP  10  12.860  18.778  -0.978
   72    H    CYS  11           H        CYS  11  14.534  17.830   3.696
   73    HA   CYS  11           HA       CYS  11  13.043  15.337   3.205
   74   1HB   CYS  11          1HB       CYS  11  14.914  15.543   4.825
   75   2HB   CYS  11          2HB       CYS  11  13.954  16.635   5.844
   76    HXT  CYS  11           HXT      CYS  11  10.421  17.440   5.422
  Start of MODEL   11
    1   1H    VAL   1          1H        VAL   1   8.902  10.052   0.634
    2   2H    VAL   1          2H        VAL   1   9.580   9.784  -0.817
    3    HA   VAL   1           HA       VAL   1   9.978  12.138  -1.179
    4    HB   VAL   1           HB       VAL   1   8.731  12.442   1.617
    5   1HG1  VAL   1          1HG1      VAL   1   9.962  14.662  -0.161
    6   2HG1  VAL   1          2HG1      VAL   1   9.134  14.892   1.400
    7   3HG1  VAL   1          3HG1      VAL   1  10.676  14.040   1.341
    8   1HG2  VAL   1          1HG2      VAL   1   7.073  13.956   0.529
    9   2HG2  VAL   1          2HG2      VAL   1   7.757  13.600  -1.078
   10   3HG2  VAL   1          3HG2      VAL   1   6.953  12.321  -0.131
   11    H    CYS   2           H        CYS   2  10.404  11.194   2.204
   12    HA   CYS   2           HA       CYS   2  13.271  12.008   1.969
   13   1HB   CYS   2          1HB       CYS   2  11.564  12.968   3.539
   14   2HB   CYS   2          2HB       CYS   2  11.421  11.418   4.366
   15    H    CYS   3           H        CYS   3  13.710   9.965   0.742
   16    HA   CYS   3           HA       CYS   3  13.802   7.410   2.115
   17   1HB   CYS   3          1HB       CYS   3  14.684   6.547   0.025
   18   2HB   CYS   3          2HB       CYS   3  13.382   7.686  -0.296
   19    H    GLY   4           H        GLY   4  16.761   9.086   0.981
   20   1HA   GLY   4          1HA       GLY   4  18.526   8.707   3.215
   21   2HA   GLY   4          2HA       GLY   4  18.473   7.105   2.494
   22    H    TYR   5           H        TYR   5  18.754   7.190   0.036
   23    HA   TYR   5           HA       TYR   5  21.323   8.373  -0.794
   24   1HB   TYR   5          1HB       TYR   5  20.783   7.494  -3.034
   25   2HB   TYR   5          2HB       TYR   5  20.592   6.302  -1.795
   26    HD1  TYR   5           HD1      TYR   5  18.356   5.339  -1.282
   27    HD2  TYR   5           HD2      TYR   5  18.751   8.427  -4.249
   28    HE1  TYR   5           HE1      TYR   5  16.065   4.900  -2.053
   29    HE2  TYR   5           HE2      TYR   5  16.437   7.970  -5.004
   30    HH   TYR   5           HH       TYR   5  14.366   5.588  -3.414
   31    H    LYS   6           H        LYS   6  21.782  10.019  -2.241
   32    HA   LYS   6           HA       LYS   6  20.047  12.420  -1.836
   33   1HB   LYS   6          1HB       LYS   6  22.804  12.154  -3.120
   34   2HB   LYS   6          2HB       LYS   6  22.045  13.661  -2.704
   35   1HG   LYS   6          1HG       LYS   6  22.902  11.524  -0.633
   36   2HG   LYS   6          2HG       LYS   6  23.832  12.904  -1.140
   37   1HD   LYS   6          1HD       LYS   6  22.980  13.733   0.799
   38   2HD   LYS   6          2HD       LYS   6  21.825  14.413  -0.330
   39   1HE   LYS   6          1HE       LYS   6  20.167  12.536   0.284
   40   2HE   LYS   6          2HE       LYS   6  21.394  11.817   1.326
   41   1HZ   LYS   6          1HZ       LYS   6  20.391  14.618   1.670
   42   2HZ   LYS   6          2HZ       LYS   6  21.430  13.835   2.645
   43    H    LEU   7           H        LEU   7  18.856  10.716  -3.714
   44    HA   LEU   7           HA       LEU   7  18.031  13.045  -5.537
   45   1HB   LEU   7          1HB       LEU   7  16.606  10.350  -5.155
   46   2HB   LEU   7          2HB       LEU   7  16.059  11.664  -6.168
   47    HG   LEU   7           HG       LEU   7  18.585   9.972  -6.636
   48   1HD1  LEU   7          1HD1      LEU   7  15.899  10.168  -8.178
   49   2HD1  LEU   7          2HD1      LEU   7  17.304   9.174  -8.652
   50   3HD1  LEU   7          3HD1      LEU   7  16.423   8.812  -7.162
   51   1HD2  LEU   7          1HD2      LEU   7  17.494  12.353  -8.297
   52   2HD2  LEU   7          2HD2      LEU   7  19.056  12.270  -7.460
   53   3HD2  LEU   7          3HD2      LEU   7  18.768  11.216  -8.842
   54    H    CYS   8           H        CYS   8  17.306  11.504  -2.424
   55    HA   CYS   8           HA       CYS   8  14.830  13.158  -1.939
   56   1HB   CYS   8          1HB       CYS   8  16.427  11.232  -0.135
   57   2HB   CYS   8          2HB       CYS   8  14.821  11.903   0.189
   58    H    HIS   9           H        HIS   9  15.515  15.268  -2.002
   59    HA   HIS   9           HA       HIS   9  17.518  16.264   0.112
   60   1HB   HIS   9          1HB       HIS   9  16.706  17.467  -2.561
   61   2HB   HIS   9          2HB       HIS   9  17.306  18.468  -1.268
   62    HD2  HIS   9           HD2      HIS   9  19.315  15.190  -1.221
   63    HE1  HIS   9           HE1      HIS   9  21.540  18.006  -3.355
   64    HE2  HIS   9           HE2      HIS   9  21.766  15.772  -2.135
   65    HA   HYP  10           HA       HYP  10  14.076  19.020   1.750
   66   1HB   HYP  10          1HB       HYP  10  11.695  19.527   0.430
   67   2HB   HYP  10          2HB       HYP  10  13.196  20.405   0.170
   68   1HD   HYP  10          1HD       HYP  10  14.217  17.314  -2.053
   69   2HD   HYP  10          2HD       HYP  10  14.973  18.903  -1.779
   70    HOD  HYP  10           HG2      HYP  10  13.380  20.582  -1.993
   71    HG   HYP  10           HG       HYP  10  12.051  18.093  -1.470
   72    H    CYS  11           H        CYS  11  13.588  17.782   3.419
   73    HA   CYS  11           HA       CYS  11  12.291  15.083   3.076
   74   1HB   CYS  11          1HB       CYS  11  14.493  15.383   4.204
   75   2HB   CYS  11          2HB       CYS  11  13.757  16.450   5.412
   76    HXT  CYS  11           HXT      CYS  11  10.201  17.173   5.855
  Start of MODEL   12
    1   1H    VAL   1          1H        VAL   1   8.692   9.899   0.815
    2   2H    VAL   1          2H        VAL   1   9.399   9.751  -0.650
    3    HA   VAL   1           HA       VAL   1   9.369  12.184  -0.936
    4    HB   VAL   1           HB       VAL   1   8.574  12.200   2.024
    5   1HG1  VAL   1          1HG1      VAL   1   9.129  14.586   0.118
    6   2HG1  VAL   1          2HG1      VAL   1   8.547  14.713   1.795
    7   3HG1  VAL   1          3HG1      VAL   1  10.166  14.086   1.470
    8   1HG2  VAL   1          1HG2      VAL   1   6.513  13.430   1.340
    9   2HG2  VAL   1          2HG2      VAL   1   6.941  13.248  -0.384
   10   3HG2  VAL   1          3HG2      VAL   1   6.545  11.822   0.603
   11    H    CYS   2           H        CYS   2  10.390  10.758   2.166
   12    HA   CYS   2           HA       CYS   2  13.159  12.031   1.724
   13   1HB   CYS   2          1HB       CYS   2  11.551  13.041   3.354
   14   2HB   CYS   2          2HB       CYS   2  11.451  11.527   4.247
   15    H    CYS   3           H        CYS   3  13.837  10.079   0.626
   16    HA   CYS   3           HA       CYS   3  13.863   7.496   1.954
   17   1HB   CYS   3          1HB       CYS   3  14.794   6.656  -0.089
   18   2HB   CYS   3          2HB       CYS   3  13.581   7.857  -0.495
   19    H    GLY   4           H        GLY   4  16.860   9.279   1.048
   20   1HA   GLY   4          1HA       GLY   4  18.616   8.826   3.201
   21   2HA   GLY   4          2HA       GLY   4  18.491   7.192   2.571
   22    H    TYR   5           H        TYR   5  18.574   7.406  -0.044
   23    HA   TYR   5           HA       TYR   5  21.298   8.325  -0.825
   24   1HB   TYR   5          1HB       TYR   5  20.680   7.622  -3.125
   25   2HB   TYR   5          2HB       TYR   5  20.552   6.371  -1.941
   26    HD1  TYR   5           HD1      TYR   5  18.384   5.346  -1.400
   27    HD2  TYR   5           HD2      TYR   5  18.575   8.581  -4.222
   28    HE1  TYR   5           HE1      TYR   5  16.103   4.834  -2.152
   29    HE2  TYR   5           HE2      TYR   5  16.262   8.062  -4.944
   30    HH   TYR   5           HH       TYR   5  14.339   5.589  -3.314
   31    H    LYS   6           H        LYS   6  21.898  10.012  -2.075
   32    HA   LYS   6           HA       LYS   6  20.251  12.478  -1.767
   33   1HB   LYS   6          1HB       LYS   6  23.073  12.012  -2.854
   34   2HB   LYS   6          2HB       LYS   6  22.387  13.590  -2.602
   35   1HG   LYS   6          1HG       LYS   6  22.905  11.547  -0.334
   36   2HG   LYS   6          2HG       LYS   6  23.947  12.850  -0.819
   37   1HD   LYS   6          1HD       LYS   6  22.910  13.988   0.869
   38   2HD   LYS   6          2HD       LYS   6  21.786  14.417  -0.404
   39   1HE   LYS   6          1HE       LYS   6  20.346  12.327   0.385
   40   2HE   LYS   6          2HE       LYS   6  21.464  12.179   1.731
   41   1HZ   LYS   6          1HZ       LYS   6  19.891  14.640   1.070
   42   2HZ   LYS   6          2HZ       LYS   6  20.949  14.538   2.300
   43    H    LEU   7           H        LEU   7  19.160  10.772  -3.739
   44    HA   LEU   7           HA       LEU   7  18.401  13.064  -5.618
   45   1HB   LEU   7          1HB       LEU   7  16.953  10.390  -5.161
   46   2HB   LEU   7          2HB       LEU   7  16.440  11.651  -6.252
   47    HG   LEU   7           HG       LEU   7  19.015   9.991  -6.563
   48   1HD1  LEU   7          1HD1      LEU   7  16.362   9.953  -8.162
   49   2HD1  LEU   7          2HD1      LEU   7  17.820   8.993  -8.530
   50   3HD1  LEU   7          3HD1      LEU   7  16.924   8.699  -7.037
   51   1HD2  LEU   7          1HD2      LEU   7  17.847  12.204  -8.396
   52   2HD2  LEU   7          2HD2      LEU   7  19.395  12.242  -7.528
   53   3HD2  LEU   7          3HD2      LEU   7  19.177  11.094  -8.848
   54    H    CYS   8           H        CYS   8  17.558  11.632  -2.470
   55    HA   CYS   8           HA       CYS   8  15.047  13.258  -2.165
   56   1HB   CYS   8          1HB       CYS   8  16.531  11.410  -0.183
   57   2HB   CYS   8          2HB       CYS   8  14.856  11.982  -0.062
   58    H    HIS   9           H        HIS   9  15.432  15.391  -1.879
   59    HA   HIS   9           HA       HIS   9  17.376  16.329   0.321
   60   1HB   HIS   9          1HB       HIS   9  16.783  17.713  -2.335
   61   2HB   HIS   9          2HB       HIS   9  17.430  18.565  -0.959
   62    HD2  HIS   9           HD2      HIS   9  18.421  15.711  -3.435
   63    HE1  HIS   9           HE1      HIS   9  21.911  16.865  -1.452
   64    HE2  HIS   9           HE2      HIS   9  21.051  15.304  -3.318
   65    HA   HYP  10           HA       HYP  10  13.749  19.121   1.547
   66   1HB   HYP  10          1HB       HYP  10  11.419  19.375   0.142
   67   2HB   HYP  10          2HB       HYP  10  12.917  20.198  -0.317
   68   1HD   HYP  10          1HD       HYP  10  14.079  16.907  -1.989
   69   2HD   HYP  10          2HD       HYP  10  14.679  18.589  -1.951
   70    HOD  HYP  10           HG2      HYP  10  12.925  19.902  -2.602
   71    HG   HYP  10           HG       HYP  10  11.856  17.516  -1.402
   72    H    CYS  11           H        CYS  11  13.594  17.738   3.263
   73    HA   CYS  11           HA       CYS  11  12.343  15.101   3.081
   74   1HB   CYS  11          1HB       CYS  11  14.463  15.625   4.274
   75   2HB   CYS  11          2HB       CYS  11  13.576  16.555   5.498
   76    HXT  CYS  11           HXT      CYS  11  10.092  16.773   5.950
  Start of MODEL   13
    1   1H    VAL   1          1H        VAL   1   8.654   9.948   1.192
    2   2H    VAL   1          2H        VAL   1   9.095   9.596  -0.342
    3    HA   VAL   1           HA       VAL   1   9.506  11.900  -0.865
    4    HB   VAL   1           HB       VAL   1   8.693  12.427   2.036
    5   1HG1  VAL   1          1HG1      VAL   1   9.836  14.464   0.001
    6   2HG1  VAL   1          2HG1      VAL   1   9.176  14.855   1.610
    7   3HG1  VAL   1          3HG1      VAL   1  10.653  13.903   1.473
    8   1HG2  VAL   1          1HG2      VAL   1   6.983  13.986   1.080
    9   2HG2  VAL   1          2HG2      VAL   1   7.449  13.512  -0.575
   10   3HG2  VAL   1          3HG2      VAL   1   6.711  12.328   0.528
   11    H    CYS   2           H        CYS   2  10.390  10.946   2.432
   12    HA   CYS   2           HA       CYS   2  13.183  11.920   1.876
   13   1HB   CYS   2          1HB       CYS   2  11.671  12.837   3.618
   14   2HB   CYS   2          2HB       CYS   2  11.561  11.279   4.422
   15    H    CYS   3           H        CYS   3  13.744  10.006   0.615
   16    HA   CYS   3           HA       CYS   3  13.913   7.388   1.785
   17   1HB   CYS   3          1HB       CYS   3  14.891   6.692  -0.316
   18   2HB   CYS   3          2HB       CYS   3  13.616   7.853  -0.639
   19    H    GLY   4           H        GLY   4  16.812   9.325   1.013
   20   1HA   GLY   4          1HA       GLY   4  18.593   8.910   3.148
   21   2HA   GLY   4          2HA       GLY   4  18.558   7.283   2.490
   22    H    TYR   5           H        TYR   5  18.772   7.307   0.003
   23    HA   TYR   5           HA       TYR   5  21.360   8.398  -0.859
   24   1HB   TYR   5          1HB       TYR   5  20.751   7.550  -3.114
   25   2HB   TYR   5          2HB       TYR   5  20.673   6.375  -1.849
   26    HD1  TYR   5           HD1      TYR   5  18.606   5.193  -1.353
   27    HD2  TYR   5           HD2      TYR   5  18.548   8.467  -4.129
   28    HE1  TYR   5           HE1      TYR   5  16.302   4.615  -1.990
   29    HE2  TYR   5           HE2      TYR   5  16.223   7.880  -4.755
   30    HH   TYR   5           HH       TYR   5  14.436   5.365  -3.034
   31    H    LYS   6           H        LYS   6  21.912  10.237  -1.754
   32    HA   LYS   6           HA       LYS   6  20.108  12.513  -1.634
   33   1HB   LYS   6          1HB       LYS   6  23.014  12.304  -2.596
   34   2HB   LYS   6          2HB       LYS   6  22.191  13.815  -2.334
   35   1HG   LYS   6          1HG       LYS   6  22.744  11.772  -0.088
   36   2HG   LYS   6          2HG       LYS   6  23.696  13.179  -0.477
   37   1HD   LYS   6          1HD       LYS   6  22.460  14.229   1.110
   38   2HD   LYS   6          2HD       LYS   6  21.336  14.511  -0.207
   39   1HE   LYS   6          1HE       LYS   6  20.165  12.223   0.561
   40   2HE   LYS   6          2HE       LYS   6  21.235  12.289   1.959
   41   1HZ   LYS   6          1HZ       LYS   6  19.263  14.374   1.123
   42   2HZ   LYS   6          2HZ       LYS   6  20.331  14.615   2.332
   43    H    LEU   7           H        LEU   7  19.269  10.826  -3.779
   44    HA   LEU   7           HA       LEU   7  18.440  13.022  -5.720
   45   1HB   LEU   7          1HB       LEU   7  17.265  10.254  -5.068
   46   2HB   LEU   7          2HB       LEU   7  16.447  11.379  -6.106
   47    HG   LEU   7           HG       LEU   7  19.309  10.443  -6.755
   48   1HD1  LEU   7          1HD1      LEU   7  16.636   9.189  -7.681
   49   2HD1  LEU   7          2HD1      LEU   7  18.260   8.767  -8.283
   50   3HD1  LEU   7          3HD1      LEU   7  17.832   8.432  -6.602
   51   1HD2  LEU   7          1HD2      LEU   7  17.068  11.638  -8.544
   52   2HD2  LEU   7          2HD2      LEU   7  18.509  12.520  -7.983
   53   3HD2  LEU   7          3HD2      LEU   7  18.689  11.141  -9.075
   54    H    CYS   8           H        CYS   8  17.439  11.616  -2.584
   55    HA   CYS   8           HA       CYS   8  14.949  13.280  -2.391
   56   1HB   CYS   8          1HB       CYS   8  16.364  11.506  -0.297
   57   2HB   CYS   8          2HB       CYS   8  14.691  12.093  -0.242
   58    H    HIS   9           H        HIS   9  15.472  15.417  -2.336
   59    HA   HIS   9           HA       HIS   9  17.497  16.497  -0.332
   60   1HB   HIS   9          1HB       HIS   9  16.216  17.705  -2.810
   61   2HB   HIS   9          2HB       HIS   9  16.807  18.763  -1.564
   62    HD2  HIS   9           HD2      HIS   9  18.089  16.317  -4.272
   63    HE1  HIS   9           HE1      HIS   9  21.413  18.291  -2.702
   64    HE2  HIS   9           HE2      HIS   9  20.686  16.817  -4.673
   65    HA   HYP  10           HA       HYP  10  14.113  18.851   1.865
   66   1HB   HYP  10          1HB       HYP  10  11.667  19.446   0.896
   67   2HB   HYP  10          2HB       HYP  10  13.125  20.141   0.180
   68   1HD   HYP  10          1HD       HYP  10  13.563  16.792  -1.735
   69   2HD   HYP  10          2HD       HYP  10  14.295  18.409  -1.919
   70    HOD  HYP  10           HG2      HYP  10  12.699  19.940  -2.134
   71    HG   HYP  10           HG       HYP  10  11.569  17.667  -0.796
   72    H    CYS  11           H        CYS  11  13.965  17.393   3.565
   73    HA   CYS  11           HA       CYS  11  12.578  14.845   3.344
   74   1HB   CYS  11          1HB       CYS  11  14.677  15.289   4.618
   75   2HB   CYS  11          2HB       CYS  11  13.769  16.212   5.829
   76    HXT  CYS  11           HXT      CYS  11  10.282  16.773   6.056
  Start of MODEL   14
    1   1H    VAL   1          1H        VAL   1   8.613  11.564  -1.777
    2   2H    VAL   1          2H        VAL   1   7.505  12.745  -1.934
    3    HA   VAL   1           HA       VAL   1   9.646  13.605  -2.386
    4    HB   VAL   1           HB       VAL   1   8.591  14.735   0.275
    5   1HG1  VAL   1          1HG1      VAL   1  10.319  16.115  -1.886
    6   2HG1  VAL   1          2HG1      VAL   1   9.606  16.902  -0.462
    7   3HG1  VAL   1          3HG1      VAL   1  10.846  15.677  -0.242
    8   1HG2  VAL   1          1HG2      VAL   1   7.348  16.419  -1.146
    9   2HG2  VAL   1          2HG2      VAL   1   7.793  15.495  -2.609
   10   3HG2  VAL   1          3HG2      VAL   1   6.754  14.771  -1.359
   11    H    CYS   2           H        CYS   2   9.742  13.140   1.143
   12    HA   CYS   2           HA       CYS   2  12.706  12.927   1.045
   13   1HB   CYS   2          1HB       CYS   2  11.599  14.421   2.577
   14   2HB   CYS   2          2HB       CYS   2  10.625  13.133   3.294
   15    H    CYS   3           H        CYS   3  12.765  10.930  -0.129
   16    HA   CYS   3           HA       CYS   3  12.087   8.381   1.130
   17   1HB   CYS   3          1HB       CYS   3  13.024   7.373  -0.861
   18   2HB   CYS   3          2HB       CYS   3  12.120   8.808  -1.318
   19    H    GLY   4           H        GLY   4  15.068  10.137   1.575
   20   1HA   GLY   4          1HA       GLY   4  16.550   9.568   3.467
   21   2HA   GLY   4          2HA       GLY   4  16.087   7.894   3.421
   22    H    TYR   5           H        TYR   5  16.634   7.227   0.826
   23    HA   TYR   5           HA       TYR   5  19.610   7.286   0.514
   24   1HB   TYR   5          1HB       TYR   5  19.375   5.999  -1.464
   25   2HB   TYR   5          2HB       TYR   5  18.468   5.281  -0.176
   26    HD1  TYR   5           HD1      TYR   5  15.968   5.159  -0.300
   27    HD2  TYR   5           HD2      TYR   5  18.221   7.013  -3.454
   28    HE1  TYR   5           HE1      TYR   5  14.009   5.032  -1.780
   29    HE2  TYR   5           HE2      TYR   5  16.262   6.865  -4.936
   30    HH   TYR   5           HH       TYR   5  13.330   5.145  -3.931
   31    H    LYS   6           H        LYS   6  20.755   8.787  -0.487
   32    HA   LYS   6           HA       LYS   6  19.370  11.325  -1.076
   33   1HB   LYS   6          1HB       LYS   6  22.324  10.586  -0.785
   34   2HB   LYS   6          2HB       LYS   6  21.771  12.223  -1.007
   35   1HG   LYS   6          1HG       LYS   6  20.742  10.487   1.330
   36   2HG   LYS   6          2HG       LYS   6  22.216  11.412   1.431
   37   1HD   LYS   6          1HD       LYS   6  21.114  13.537   1.213
   38   2HD   LYS   6          2HD       LYS   6  19.618  12.816   0.630
   39   1HE   LYS   6          1HE       LYS   6  19.223  11.711   2.876
   40   2HE   LYS   6          2HE       LYS   6  20.728  12.405   3.496
   41   1HZ   LYS   6          1HZ       LYS   6  18.476  14.022   2.378
   42   2HZ   LYS   6          2HZ       LYS   6  19.826  14.637   3.044
   43    H    LEU   7           H        LEU   7  18.721   9.807  -3.111
   44    HA   LEU   7           HA       LEU   7  19.156  11.944  -5.254
   45   1HB   LEU   7          1HB       LEU   7  17.047   9.692  -4.967
   46   2HB   LEU   7          2HB       LEU   7  16.786  11.090  -5.964
   47    HG   LEU   7           HG       LEU   7  18.969  10.552  -7.236
   48   1HD1  LEU   7          1HD1      LEU   7  18.519   7.781  -5.911
   49   2HD1  LEU   7          2HD1      LEU   7  19.626   8.123  -7.263
   50   3HD1  LEU   7          3HD1      LEU   7  19.940   8.821  -5.671
   51   1HD2  LEU   7          1HD2      LEU   7  16.553   8.632  -7.426
   52   2HD2  LEU   7          2HD2      LEU   7  16.673  10.237  -8.188
   53   3HD2  LEU   7          3HD2      LEU   7  17.749   8.930  -8.711
   54    H    CYS   8           H        CYS   8  17.091  11.080  -2.477
   55    HA   CYS   8           HA       CYS   8  15.499  13.650  -2.569
   56   1HB   CYS   8          1HB       CYS   8  15.594  11.397  -0.462
   57   2HB   CYS   8          2HB       CYS   8  14.342  12.628  -0.653
   58    H    HIS   9           H        HIS   9  17.207  15.187  -2.332
   59    HA   HIS   9           HA       HIS   9  18.850  15.225   0.183
   60   1HB   HIS   9          1HB       HIS   9  18.829  17.192  -2.142
   61   2HB   HIS   9          2HB       HIS   9  19.822  17.359  -0.726
   62    HD2  HIS   9           HD2      HIS   9  21.771  15.360  -0.296
   63    HE1  HIS   9           HE1      HIS   9  21.960  14.347  -4.348
   64    HE2  HIS   9           HE2      HIS   9  23.279  14.142  -2.140
   65    HA   HYP  10           HA       HYP  10  16.467  19.006   1.878
   66   1HB   HYP  10          1HB       HYP  10  14.403  20.247   0.543
   67   2HB   HYP  10          2HB       HYP  10  16.112  20.572   0.235
   68   1HD   HYP  10          1HD       HYP  10  16.153  17.351  -1.951
   69   2HD   HYP  10          2HD       HYP  10  17.298  18.691  -1.658
   70    HOD  HYP  10           HG2      HYP  10  16.091  20.741  -1.922
   71    HG   HYP  10           HG       HYP  10  14.259  18.638  -1.287
   72    H    CYS  11           H        CYS  11  15.555  17.883   3.533
   73    HA   CYS  11           HA       CYS  11  12.921  16.354   3.127
   74   1HB   CYS  11          1HB       CYS  11  15.035  15.109   3.836
   75   2HB   CYS  11          2HB       CYS  11  15.049  16.057   5.334
   76    HXT  CYS  11           HXT      CYS  11  12.817  18.541   6.512
  Start of MODEL   15
    1   1H    VAL   1          1H        VAL   1   7.514  12.865  -1.994
    2   2H    VAL   1          2H        VAL   1   7.914  11.974  -0.694
    3    HA   VAL   1           HA       VAL   1   9.584  13.988  -2.074
    4    HB   VAL   1           HB       VAL   1   8.408  13.907   0.766
    5   1HG1  VAL   1          1HG1      VAL   1  10.042  16.195  -0.540
    6   2HG1  VAL   1          2HG1      VAL   1   9.278  16.207   1.072
    7   3HG1  VAL   1          3HG1      VAL   1  10.632  15.128   0.753
    8   1HG2  VAL   1          1HG2      VAL   1   7.075  15.933   0.076
    9   2HG2  VAL   1          2HG2      VAL   1   7.688  15.782  -1.588
   10   3HG2  VAL   1          3HG2      VAL   1   6.642  14.520  -0.898
   11    H    CYS   2           H        CYS   2   9.701  11.929   0.817
   12    HA   CYS   2           HA       CYS   2  12.722  12.379   0.903
   13   1HB   CYS   2          1HB       CYS   2  11.169  13.427   2.549
   14   2HB   CYS   2          2HB       CYS   2  10.613  11.842   3.082
   15    H    CYS   3           H        CYS   3  13.159  10.588  -0.505
   16    HA   CYS   3           HA       CYS   3  12.534   7.835   0.309
   17   1HB   CYS   3          1HB       CYS   3  13.441   7.253  -1.842
   18   2HB   CYS   3          2HB       CYS   3  12.600   8.774  -2.053
   19    H    GLY   4           H        GLY   4  15.174   9.495   1.534
   20   1HA   GLY   4          1HA       GLY   4  16.516   8.316   3.329
   21   2HA   GLY   4          2HA       GLY   4  16.397   6.813   2.456
   22    H    TYR   5           H        TYR   5  17.371   7.078   0.158
   23    HA   TYR   5           HA       TYR   5  20.287   7.632   0.388
   24   1HB   TYR   5          1HB       TYR   5  20.371   6.977  -2.011
   25   2HB   TYR   5          2HB       TYR   5  19.695   5.793  -0.956
   26    HD1  TYR   5           HD1      TYR   5  17.597   4.780  -1.540
   27    HD2  TYR   5           HD2      TYR   5  18.701   8.463  -3.450
   28    HE1  TYR   5           HE1      TYR   5  15.822   4.453  -3.203
   29    HE2  TYR   5           HE2      TYR   5  16.875   8.155  -5.080
   30    HH   TYR   5           HH       TYR   5  14.524   5.588  -4.744
   31    H    LYS   6           H        LYS   6  21.516   9.272  -0.508
   32    HA   LYS   6           HA       LYS   6  20.103  11.910  -0.725
   33   1HB   LYS   6          1HB       LYS   6  23.091  11.280  -0.748
   34   2HB   LYS   6          2HB       LYS   6  22.406  12.879  -0.706
   35   1HG   LYS   6          1HG       LYS   6  22.140  10.788   1.547
   36   2HG   LYS   6          2HG       LYS   6  23.201  12.174   1.486
   37   1HD   LYS   6          1HD       LYS   6  21.600  13.148   2.760
   38   2HD   LYS   6          2HD       LYS   6  20.946  13.614   1.200
   39   1HE   LYS   6          1HE       LYS   6  19.347  11.571   1.319
   40   2HE   LYS   6          2HE       LYS   6  20.050  11.150   2.878
   41   1HZ   LYS   6          1HZ       LYS   6  18.866  13.817   2.316
   42   2HZ   LYS   6          2HZ       LYS   6  19.308  13.262   3.777
   43    H    LEU   7           H        LEU   7  19.413  10.482  -2.835
   44    HA   LEU   7           HA       LEU   7  19.797  12.717  -4.890
   45   1HB   LEU   7          1HB       LEU   7  17.840  10.320  -4.929
   46   2HB   LEU   7          2HB       LEU   7  17.696  11.724  -5.947
   47    HG   LEU   7           HG       LEU   7  20.066  11.233  -6.877
   48   1HD1  LEU   7          1HD1      LEU   7  19.440   8.408  -5.750
   49   2HD1  LEU   7          2HD1      LEU   7  20.738   8.822  -6.880
   50   3HD1  LEU   7          3HD1      LEU   7  20.790   9.447  -5.228
   51   1HD2  LEU   7          1HD2      LEU   7  17.638   9.389  -7.420
   52   2HD2  LEU   7          2HD2      LEU   7  17.977  10.956  -8.190
   53   3HD2  LEU   7          3HD2      LEU   7  19.027   9.567  -8.509
   54    H    CYS   8           H        CYS   8  17.683  11.516  -2.267
   55    HA   CYS   8           HA       CYS   8  15.645  13.744  -2.643
   56   1HB   CYS   8          1HB       CYS   8  15.769  11.403  -0.630
   57   2HB   CYS   8          2HB       CYS   8  14.387  12.470  -0.944
   58    H    HIS   9           H        HIS   9  16.491  15.638  -1.929
   59    HA   HIS   9           HA       HIS   9  18.023  15.749   0.708
   60   1HB   HIS   9          1HB       HIS   9  17.937  17.723  -1.610
   61   2HB   HIS   9          2HB       HIS   9  18.576  18.130  -0.038
   62    HD2  HIS   9           HD2      HIS   9  20.787  16.737   0.886
   63    HE1  HIS   9           HE1      HIS   9  21.915  15.275  -2.860
   64    HE2  HIS   9           HE2      HIS   9  22.809  15.627  -0.464
   65    HA   HYP  10           HA       HYP  10  14.981  18.918   2.387
   66   1HB   HYP  10          1HB       HYP  10  12.910  20.027   0.993
   67   2HB   HYP  10          2HB       HYP  10  14.585  20.556   0.820
   68   1HD   HYP  10          1HD       HYP  10  15.133  17.529  -1.557
   69   2HD   HYP  10          2HD       HYP  10  16.099  18.963  -1.109
   70    HOD  HYP  10           HG2      HYP  10  14.814  20.754  -1.515
   71    HG   HYP  10           HG       HYP  10  13.068  18.539  -0.951
   72    H    CYS  11           H        CYS  11  14.368  17.208   3.690
   73    HA   CYS  11           HA       CYS  11  12.477  15.168   2.957
   74   1HB   CYS  11          1HB       CYS  11  14.405  14.982   4.596
   75   2HB   CYS  11          2HB       CYS  11  13.413  15.806   5.811
   76    HXT  CYS  11           HXT      CYS  11  10.159  17.546   5.272
  Start of MODEL   16
    1   1H    VAL   1          1H        VAL   1   6.724  12.201  -1.212
    2   2H    VAL   1          2H        VAL   1   7.574  11.163  -0.294
    3    HA   VAL   1           HA       VAL   1   8.566  13.701  -1.445
    4    HB   VAL   1           HB       VAL   1   8.038  13.035   1.507
    5   1HG1  VAL   1          1HG1      VAL   1   8.828  15.731   0.196
    6   2HG1  VAL   1          2HG1      VAL   1   8.436  15.493   1.911
    7   3HG1  VAL   1          3HG1      VAL   1   9.883  14.750   1.222
    8   1HG2  VAL   1          1HG2      VAL   1   6.187  14.700   1.439
    9   2HG2  VAL   1          2HG2      VAL   1   6.387  14.904  -0.315
   10   3HG2  VAL   1          3HG2      VAL   1   5.841  13.352   0.364
   11    H    CYS   2           H        CYS   2   9.481  11.354   1.049
   12    HA   CYS   2           HA       CYS   2  12.413  12.151   0.626
   13   1HB   CYS   2          1HB       CYS   2  11.064  13.214   2.454
   14   2HB   CYS   2          2HB       CYS   2  10.686  11.639   3.150
   15    H    CYS   3           H        CYS   3  12.945  10.257  -0.610
   16    HA   CYS   3           HA       CYS   3  12.638   7.583   0.316
   17   1HB   CYS   3          1HB       CYS   3  14.050   6.908  -1.496
   18   2HB   CYS   3          2HB       CYS   3  13.088   8.266  -2.043
   19    H    GLY   4           H        GLY   4  15.568   9.516   0.992
   20   1HA   GLY   4          1HA       GLY   4  16.751   8.761   3.234
   21   2HA   GLY   4          2HA       GLY   4  16.714   7.121   2.633
   22    H    TYR   5           H        TYR   5  17.663   7.187   0.166
   23    HA   TYR   5           HA       TYR   5  20.543   7.843   0.392
   24   1HB   TYR   5          1HB       TYR   5  20.739   7.058  -1.963
   25   2HB   TYR   5          2HB       TYR   5  20.034   5.915  -0.875
   26    HD1  TYR   5           HD1      TYR   5  17.780   5.057  -1.224
   27    HD2  TYR   5           HD2      TYR   5  19.192   8.302  -3.661
   28    HE1  TYR   5           HE1      TYR   5  15.775   4.880  -2.627
   29    HE2  TYR   5           HE2      TYR   5  17.166   8.118  -5.060
   30    HH   TYR   5           HH       TYR   5  14.549   5.873  -4.218
   31    H    LYS   6           H        LYS   6  21.775   9.395  -0.621
   32    HA   LYS   6           HA       LYS   6  20.388  12.021  -0.789
   33   1HB   LYS   6          1HB       LYS   6  23.365  11.312  -0.949
   34   2HB   LYS   6          2HB       LYS   6  22.731  12.934  -0.884
   35   1HG   LYS   6          1HG       LYS   6  22.530  10.861   1.379
   36   2HG   LYS   6          2HG       LYS   6  23.569  12.260   1.274
   37   1HD   LYS   6          1HD       LYS   6  22.004  13.288   2.553
   38   2HD   LYS   6          2HD       LYS   6  21.229  13.627   1.017
   39   1HE   LYS   6          1HE       LYS   6  19.845  11.399   1.384
   40   2HE   LYS   6          2HE       LYS   6  20.577  11.314   2.989
   41   1HZ   LYS   6          1HZ       LYS   6  18.873  13.489   1.887
   42   2HZ   LYS   6          2HZ       LYS   6  19.730  13.704   3.251
   43    H    LEU   7           H        LEU   7  19.582  10.668  -2.936
   44    HA   LEU   7           HA       LEU   7  19.850  13.125  -4.747
   45   1HB   LEU   7          1HB       LEU   7  17.985  10.685  -5.121
   46   2HB   LEU   7          2HB       LEU   7  17.846  12.195  -5.966
   47    HG   LEU   7           HG       LEU   7  20.390  11.790  -6.707
   48   1HD1  LEU   7          1HD1      LEU   7  19.384   8.907  -6.163
   49   2HD1  LEU   7          2HD1      LEU   7  20.846   9.344  -7.080
   50   3HD1  LEU   7          3HD1      LEU   7  20.746   9.696  -5.351
   51   1HD2  LEU   7          1HD2      LEU   7  17.991  10.276  -7.950
   52   2HD2  LEU   7          2HD2      LEU   7  18.466  11.960  -8.285
   53   3HD2  LEU   7          3HD2      LEU   7  19.533  10.634  -8.768
   54    H    CYS   8           H        CYS   8  17.941  11.583  -2.166
   55    HA   CYS   8           HA       CYS   8  15.688  13.562  -2.356
   56   1HB   CYS   8          1HB       CYS   8  16.281  11.299  -0.355
   57   2HB   CYS   8          2HB       CYS   8  14.754  12.187  -0.511
   58    H    HIS   9           H        HIS   9  16.404  15.565  -1.866
   59    HA   HIS   9           HA       HIS   9  17.880  16.070   0.762
   60   1HB   HIS   9          1HB       HIS   9  17.768  17.862  -1.701
   61   2HB   HIS   9          2HB       HIS   9  18.509  18.296  -0.179
   62    HD2  HIS   9           HD2      HIS   9  20.626  16.546   0.693
   63    HE1  HIS   9           HE1      HIS   9  21.501  15.233  -3.172
   64    HE2  HIS   9           HE2      HIS   9  22.456  15.257  -0.785
   65    HA   HYP  10           HA       HYP  10  14.325  19.079   1.858
   66   1HB   HYP  10          1HB       HYP  10  12.224  19.594   0.108
   67   2HB   HYP  10          2HB       HYP  10  13.732  20.507   0.197
   68   1HD   HYP  10          1HD       HYP  10  15.264  17.553  -1.895
   69   2HD   HYP  10          2HD       HYP  10  15.908  19.124  -1.362
   70    HOD  HYP  10           HG2      HYP  10  14.375  20.765  -1.920
   71    HG   HYP  10           HG       HYP  10  13.008  18.247  -1.733
   72    H    CYS  11           H        CYS  11  13.633  17.706   3.377
   73    HA   CYS  11           HA       CYS  11  12.052  15.196   2.660
   74   1HB   CYS  11          1HB       CYS  11  14.344  15.061   3.801
   75   2HB   CYS  11          2HB       CYS  11  13.643  15.867   5.217
   76    HXT  CYS  11           HXT      CYS  11  10.265  17.557   5.395