*HEADER    TOXIN                                   29-SEP-05   2B5Q              
*TITLE     SOLUTION STRUCTURE OF GLOBULAR CONFORMATION OF CMRVIA                 
*TITLE    2 LAMBDA 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, 15 STRUCTURES                                                    
*AUTHOR    T.S.KANG, S.D.S.JOIS, R.M.KINI                                        
*REVDAT   1   29-AUG-06 2B5Q    0                                                

!BIOSYM restraint 1
!
#distance
1:LEU_7:HD2*       1:LEU_7:HG          1.900  3.100  1.00  1.00 1000.000
1:LEU_7:HD1*       1:LEU_7:HG          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:TYR_5:HB*        1:TYR_5:HD*         1.900  3.100  1.00  1.00 1000.000
1:LYS_6:HD*        1:LYS_6:HE*         1.900  3.100  1.00  1.00 1000.000
1:LYS_6:HG*        1:LYS_6:HD*         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:TYR_5:HB*        1:TYR_5:HA          1.900  3.100  1.00  1.00 1000.000
1:TYR_5:HD*        1:TYR_5:HA          1.900  3.100  1.00  1.00 1000.000
1:HIS_9:HB*        1:HIS_9:HA          1.900  3.100  1.00  1.00 1000.000
1:GLY_4:HA2        1:GLY_4:HA1         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:TYR_5:HA         1:LYS_6:HN          1.900  3.100  1.00  1.00 1000.000
1:LYS_6:HB*        1:LYS_6:HA          1.900  3.100  1.00  1.00 1000.000
1:LYS_6:HG*        1:LYS_6:HB*         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:HA         1:LYS_6:HN          1.900  3.100  1.00  1.00 1000.000
1:GLY_4:HA2        1:TYR_5:HN          1.900  3.100  1.00  1.00 1000.000
1:LYS_6:HG*        1:LYS_6:HA          1.900  3.100  1.00  1.00 1000.000
1:VALn_1:HG*       1:VALn_1:HA         1.900  3.800  1.00  1.00 1000.000
1:PRO_10:HB1       1:PRO_10: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:TYR_5:HB*        1:TYR_5: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:LYS_6:HG*        1:LYS_6:HE*         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:LEU_7:HA         1:LEU_7:HN          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:PRO_10:HG        1:HIS_9:HA          1.900  3.800  1.00  1.00 1000.000
1:HIS_9:HB*        1:PRO_10:HD*        1.900  3.800  1.00  1.00 1000.000
1:LYS_6:HE*        1:LYS_6:HZ*         1.900  3.800  1.00  1.00 1000.000
1:LEU_7:HG         1:LEU_7:HA          1.900  3.800  1.00  1.00 1000.000
1:LYS_6:HB*        1:LEU_7:HN          1.900  3.800  1.00  1.00 1000.000
1:PRO_10:HB2       1:PRO_10:HD1        1.900  3.800  1.00  1.00 1000.000
1:LYS_6:HB*        1:LYS_6:HN          1.900  3.800  1.00  1.00 1000.000
1:HIS_9:HA         1:HIS_9: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:LEU_7:HD*        1:LEU_7:HA          1.900  3.800  1.00  1.00 1000.000
1:LEU_7:HD*        1:LYS_6:HN          1.900  5.000  1.00  1.00 1000.000
1:LYS_6:HD*        1:LYS_6:HA          1.900  5.000  1.00  1.00 1000.000
1:TYR_5:HB2        1:LYS_6:HN          1.900  5.000  1.00  1.00 1000.000
1:HIS_9:HB*        1:HIS_9:HN          1.900  5.000  1.00  1.00 1000.000
1:LYS_6:HB*        1:LYS_6:HE*         1.900  5.000  1.00  1.00 1000.000
1:LYS_6:HE*        1:TYR_5:HD*         1.900  5.000  1.00  1.00 1000.000
1:LYS_6:HG*        1:TYR_5:HD*         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:HN         1:LEU_7:HN          1.900  5.000  1.00  1.00 1000.000
1:LYS_6:HD*        1:TYR_5:HD*         1.900  5.000  1.00  1.00 1000.000
1:LEU_7:HD*        1:HIS_9:HD2         1.900  5.000  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:LEU_7:HG         1:HIS_9:HD2         1.900  5.000  1.00  1.00 1000.000
1:LYS_6:HB*        1:TYR_5:HD*         1.900  5.000  1.00  1.00 1000.000
1:LEU_7:HD*        1:HIS_9:HE1         1.900  5.000  1.00  1.00 1000.000
1:HIS_9:HD2        1:HIS_9:HE1         1.900  5.000  1.00  1.00 1000.000
1:TYR_5:HN         1:TYR_5:HD*         1.900  5.000  1.00  1.00 1000.000
1:HIS_9:HD2        1:HIS_9:HN          1.900  5.000  1.00  1.00 1000.000
1:LEU_7:HG         1:LEU_7:HN          1.900  5.000  1.00  1.00 1000.000
1:GLY_4:HA1        1:HIS_9:HE1         1.900  5.000  1.00  1.00 1000.000
1:GLY_4:HA2        1:HIS_9:HE1         1.900  5.000  1.00  1.00 1000.000
1:HIS_9:HB1        1:HIS_9:HE1         1.900  5.000  1.00  1.00 1000.000
1:LYS_6:HD*        1:LEU_7: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:HB1        1:CYS_8:HB2         1.900  3.100  1.00  1.00 1000.000
1:CYS_3:HB1        1:CYS_3:HB2         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_8:HN         1:LEU_7: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: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_8:HB2        1:CYS_8:HA          1.900  3.100  1.00  1.00 1000.000
1:CYS_8:HA         1:CYS_8:HN          1.900  3.100  1.00  1.00 1000.000
1:CYS_3:HB1        1:CYS_3:HA          1.900  3.100  1.00  1.00 1000.000
1:CYS_2:HA         1:CYS_3: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:HA          1.900  3.800  1.00  1.00 1000.000
1:CYS_8:HB1        1:CYS_8:HA          1.900  3.800  1.00  1.00 1000.000
1:CYS_3:HB2        1:CYS_3: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_2:HB1        1:CYS_2:HA          1.900  3.800  1.00  1.00 1000.000
1:CYS_3:HB2        1:CYS_3:HA          1.900  3.800  1.00  1.00 1000.000
1:CYS_8:HB2        1:CYS_8:HN          1.900  3.800  1.00  1.00 1000.000
1:CYS_3:HB1        1:GLY_4: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:VALn_1:HB        1:CYS_2:HN          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:HB1        1:CYS_2:HN          1.900  5.000  1.00  1.00 1000.000
1:CYS_2:HB2        1:CYS_3:HN          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:CYS_2:HA         1:CYS_2:HN          1.900  5.000  1.00  1.00 1000.000
1:CYS_3:HB2        1:CYS_11:HN         1.900  5.000  1.00  1.00 1000.000
1:CYS_2:HN         1:CYS_3:HN          1.900  5.000  1.00  1.00 1000.000
1:CYS_3:HB1        1:HIS_9:HE1         1.900  5.000  1.00  1.00 1000.000
1:CYS_8:HA         1:CYS_3:HN          1.900  5.000  1.00  1.00 1000.000
1:CYS_8:HA         1:HIS_9:HE1         1.900  5.000  1.00  1.00 1000.000
1:CYS_3:HB2        1:HIS_9:HE1         1.900  5.000  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   7.433   6.655   3.463
    2   2H    VAL   1          2H        VAL   1   6.947   8.197   3.709
    3    HA   VAL   1           HA       VAL   1   9.658   7.402   2.901
    4    HB   VAL   1           HB       VAL   1   9.154   8.222   0.629
    5   1HG1  VAL   1          1HG1      VAL   1   8.996   5.751   1.168
    6   2HG1  VAL   1          2HG1      VAL   1   7.241   5.931   1.392
    7   3HG1  VAL   1          3HG1      VAL   1   7.975   6.240  -0.198
    8   1HG2  VAL   1          1HG2      VAL   1   6.844   8.511  -0.236
    9   2HG2  VAL   1          2HG2      VAL   1   6.175   8.343   1.403
   10   3HG2  VAL   1          3HG2      VAL   1   7.197   9.736   0.991
   11    H    CYS   2           H        CYS   2  10.983   9.103   2.100
   12    HA   CYS   2           HA       CYS   2  10.421  11.904   3.243
   13   1HB   CYS   2          1HB       CYS   2  12.193  10.695   4.525
   14   2HB   CYS   2          2HB       CYS   2  13.137  10.463   3.050
   15    H    CYS   3           H        CYS   3  13.117  11.354   1.083
   16    HA   CYS   3           HA       CYS   3  11.462  12.286  -1.328
   17   1HB   CYS   3          1HB       CYS   3  13.296  13.836  -0.855
   18   2HB   CYS   3          2HB       CYS   3  14.490  12.517  -0.822
   19    H    GLY   4           H        GLY   4  11.048  10.774  -2.775
   20   1HA   GLY   4          1HA       GLY   4  11.341   8.809  -4.225
   21   2HA   GLY   4          2HA       GLY   4  12.943   8.577  -3.574
   22    H    TYR   5           H        TYR   5  13.080   7.479  -1.557
   23    HA   TYR   5           HA       TYR   5  10.651   5.894  -0.628
   24   1HB   TYR   5          1HB       TYR   5  12.273   4.364  -1.918
   25   2HB   TYR   5          2HB       TYR   5  13.482   4.667  -0.712
   26    HD1  TYR   5           HD1      TYR   5  13.496   3.173   1.243
   27    HD2  TYR   5           HD2      TYR   5   9.882   3.535  -1.081
   28    HE1  TYR   5           HE1      TYR   5  12.378   1.563   2.708
   29    HE2  TYR   5           HE2      TYR   5   8.792   1.916   0.397
   30    HH   TYR   5           HH       TYR   5  10.415   0.581   3.263
   31    H    LYS   6           H        LYS   6  12.503   5.018   1.708
   32    HA   LYS   6           HA       LYS   6  11.818   7.372   3.472
   33   1HB   LYS   6          1HB       LYS   6  13.098   4.639   4.056
   34   2HB   LYS   6          2HB       LYS   6  12.612   5.792   5.282
   35   1HG   LYS   6          1HG       LYS   6  10.219   5.638   4.665
   36   2HG   LYS   6          2HG       LYS   6  10.584   4.618   3.274
   37   1HD   LYS   6          1HD       LYS   6  11.595   2.875   4.821
   38   2HD   LYS   6          2HD       LYS   6  11.120   3.870   6.207
   39   1HE   LYS   6          1HE       LYS   6   8.672   3.704   5.478
   40   2HE   LYS   6          2HE       LYS   6   9.165   2.755   4.071
   41   1HZ   LYS   6          1HZ       LYS   6  10.092   1.071   5.562
   42   2HZ   LYS   6          2HZ       LYS   6   9.759   1.959   6.874
   43    H    LEU   7           H        LEU   7  13.856   7.922   1.613
   44    HA   LEU   7           HA       LEU   7  16.425   8.315   3.240
   45   1HB   LEU   7          1HB       LEU   7  15.854   8.117   0.204
   46   2HB   LEU   7          2HB       LEU   7  17.380   8.629   0.858
   47    HG   LEU   7           HG       LEU   7  17.657   6.409   2.057
   48   1HD1  LEU   7          1HD1      LEU   7  16.326   4.436   1.028
   49   2HD1  LEU   7          2HD1      LEU   7  15.379   5.443   2.116
   50   3HD1  LEU   7          3HD1      LEU   7  15.192   5.626   0.351
   51   1HD2  LEU   7          1HD2      LEU   7  18.365   5.239  -0.023
   52   2HD2  LEU   7          2HD2      LEU   7  17.346   6.305  -1.020
   53   3HD2  LEU   7          3HD2      LEU   7  18.746   6.968  -0.150
   54    H    CYS   8           H        CYS   8  16.593  10.369   4.047
   55    HA   CYS   8           HA       CYS   8  15.553  12.776   2.509
   56   1HB   CYS   8          1HB       CYS   8  16.945  12.464   5.236
   57   2HB   CYS   8          2HB       CYS   8  16.419  14.000   4.553
   58    H    HIS   9           H        HIS   9  17.114  11.831   0.797
   59    HA   HIS   9           HA       HIS   9  19.666  13.446   0.650
   60   1HB   HIS   9          1HB       HIS   9  19.814  12.561  -1.720
   61   2HB   HIS   9          2HB       HIS   9  20.077  11.474  -0.390
   62    HD2  HIS   9           HD2      HIS   9  19.750   9.351  -1.889
   63    HE1  HIS   9           HE1      HIS   9  15.622   9.645  -2.382
   64    HE2  HIS   9           HE2      HIS   9  17.586   8.022  -2.731
   65    HA   HYP  10           HA       HYP  10  16.999  16.882  -0.338
   66   1HB   HYP  10          1HB       HYP  10  18.817  18.869  -1.021
   67   2HB   HYP  10          2HB       HYP  10  18.526  18.237   0.605
   68   1HD   HYP  10          1HD       HYP  10  20.797  15.233  -0.417
   69   2HD   HYP  10          2HD       HYP  10  19.962  15.727   1.093
   70    HOD  HYP  10           HG2      HYP  10  20.872  18.954   0.522
   71    HG   HYP  10           HG       HYP  10  20.726  17.418  -1.335
   72    H    CYS  11           H        CYS  11  15.626  17.096  -1.913
   73    HA   CYS  11           HA       CYS  11  16.406  16.368  -4.772
   74   1HB   CYS  11          1HB       CYS  11  13.819  16.182  -3.065
   75   2HB   CYS  11          2HB       CYS  11  13.885  15.774  -4.778
   76    HXT  CYS  11           HO        OH  12  14.353  18.754  -6.412
  Start of MODEL    2
    1   1H    VAL   1          1H        VAL   1   7.622   6.724   3.568
    2   2H    VAL   1          2H        VAL   1   7.102   8.250   3.761
    3    HA   VAL   1           HA       VAL   1   9.696   7.475   2.609
    4    HB   VAL   1           HB       VAL   1   8.825   8.201   0.415
    5   1HG1  VAL   1          1HG1      VAL   1   8.868   5.746   1.058
    6   2HG1  VAL   1          2HG1      VAL   1   7.179   5.866   1.576
    7   3HG1  VAL   1          3HG1      VAL   1   7.602   6.130  -0.130
    8   1HG2  VAL   1          1HG2      VAL   1   6.383   8.348  -0.078
    9   2HG2  VAL   1          2HG2      VAL   1   5.987   8.205   1.650
   10   3HG2  VAL   1          3HG2      VAL   1   6.856   9.634   1.045
   11    H    CYS   2           H        CYS   2  11.127   9.072   2.166
   12    HA   CYS   2           HA       CYS   2  10.565  11.823   3.417
   13   1HB   CYS   2          1HB       CYS   2  12.229  10.313   4.580
   14   2HB   CYS   2          2HB       CYS   2  13.273  10.396   3.160
   15    H    CYS   3           H        CYS   3  13.083  10.820   1.039
   16    HA   CYS   3           HA       CYS   3  11.453  12.205  -1.146
   17   1HB   CYS   3          1HB       CYS   3  13.302  13.734  -0.816
   18   2HB   CYS   3          2HB       CYS   3  14.497  12.421  -0.762
   19    H    GLY   4           H        GLY   4  10.779  10.700  -2.436
   20   1HA   GLY   4          1HA       GLY   4  10.882   8.850  -4.064
   21   2HA   GLY   4          2HA       GLY   4  12.533   8.524  -3.622
   22    H    TYR   5           H        TYR   5  12.889   7.257  -1.786
   23    HA   TYR   5           HA       TYR   5  10.507   5.792  -0.532
   24   1HB   TYR   5          1HB       TYR   5  12.001   4.239  -1.903
   25   2HB   TYR   5          2HB       TYR   5  13.330   4.613  -0.849
   26    HD1  TYR   5           HD1      TYR   5  13.657   3.093   1.019
   27    HD2  TYR   5           HD2      TYR   5   9.704   3.466  -0.650
   28    HE1  TYR   5           HE1      TYR   5  12.826   1.365   2.555
   29    HE2  TYR   5           HE2      TYR   5   8.907   1.723   0.878
   30    HH   TYR   5           HH       TYR   5  11.002   0.219   3.289
   31    H    LYS   6           H        LYS   6  12.430   4.936   1.652
   32    HA   LYS   6           HA       LYS   6  11.980   7.358   3.418
   33   1HB   LYS   6          1HB       LYS   6  13.084   4.556   4.026
   34   2HB   LYS   6          2HB       LYS   6  12.649   5.763   5.223
   35   1HG   LYS   6          1HG       LYS   6  10.224   5.649   4.535
   36   2HG   LYS   6          2HG       LYS   6  10.622   4.493   3.261
   37   1HD   LYS   6          1HD       LYS   6  11.621   2.941   5.048
   38   2HD   LYS   6          2HD       LYS   6  11.025   4.064   6.278
   39   1HE   LYS   6          1HE       LYS   6   8.627   3.723   5.284
   40   2HE   LYS   6          2HE       LYS   6   9.319   2.511   4.191
   41   1HZ   LYS   6          1HZ       LYS   6  10.287   1.522   6.375
   42   2HZ   LYS   6          2HZ       LYS   6   9.247   2.476   7.161
   43    H    LEU   7           H        LEU   7  13.828   7.963   1.561
   44    HA   LEU   7           HA       LEU   7  16.569   8.102   2.954
   45   1HB   LEU   7          1HB       LEU   7  15.755   8.162  -0.022
   46   2HB   LEU   7          2HB       LEU   7  17.321   8.652   0.569
   47    HG   LEU   7           HG       LEU   7  17.763   6.378   1.528
   48   1HD1  LEU   7          1HD1      LEU   7  16.432   4.428   0.572
   49   2HD1  LEU   7          2HD1      LEU   7  15.487   5.376   1.714
   50   3HD1  LEU   7          3HD1      LEU   7  15.214   5.577  -0.034
   51   1HD2  LEU   7          1HD2      LEU   7  18.305   5.388  -0.713
   52   2HD2  LEU   7          2HD2      LEU   7  17.190   6.521  -1.514
   53   3HD2  LEU   7          3HD2      LEU   7  18.658   7.121  -0.701
   54    H    CYS   8           H        CYS   8  16.749  10.023   3.999
   55    HA   CYS   8           HA       CYS   8  15.466  12.567   2.935
   56   1HB   CYS   8          1HB       CYS   8  17.048  11.974   5.511
   57   2HB   CYS   8          2HB       CYS   8  16.420  13.556   5.059
   58    H    HIS   9           H        HIS   9  16.671  12.495   0.980
   59    HA   HIS   9           HA       HIS   9  19.332  14.015   1.153
   60   1HB   HIS   9          1HB       HIS   9  19.808  13.125  -1.161
   61   2HB   HIS   9          2HB       HIS   9  19.844  11.983   0.151
   62    HD2  HIS   9           HD2      HIS   9  19.304   9.732  -0.977
   63    HE1  HIS   9           HE1      HIS   9  15.596  10.632  -2.591
   64    HE2  HIS   9           HE2      HIS   9  17.195   8.696  -2.230
   65    HA   HYP  10           HA       HYP  10  17.184  17.553  -0.518
   66   1HB   HYP  10          1HB       HYP  10  19.171  19.116  -1.520
   67   2HB   HYP  10          2HB       HYP  10  18.995  18.713   0.193
   68   1HD   HYP  10          1HD       HYP  10  20.715  15.320  -0.628
   69   2HD   HYP  10          2HD       HYP  10  20.240  16.144   0.889
   70    HOD  HYP  10           HG2      HYP  10  21.225  19.096  -0.010
   71    HG   HYP  10           HG       HYP  10  20.805  17.336  -1.863
   72    H    CYS  11           H        CYS  11  15.875  16.368  -1.964
   73    HA   CYS  11           HA       CYS  11  16.424  16.249  -4.878
   74   1HB   CYS  11          1HB       CYS  11  13.814  15.902  -3.250
   75   2HB   CYS  11          2HB       CYS  11  14.030  15.474  -4.953
   76    HXT  CYS  11           HO        OH  12  13.965  19.439  -4.222
  Start of MODEL    3
    1   1H    VAL   1          1H        VAL   1   7.352   7.292   3.437
    2   2H    VAL   1          2H        VAL   1   7.115   8.889   3.522
    3    HA   VAL   1           HA       VAL   1   9.703   7.709   2.791
    4    HB   VAL   1           HB       VAL   1   9.173   8.073   0.418
    5   1HG1  VAL   1          1HG1      VAL   1   8.937   5.765   1.439
    6   2HG1  VAL   1          2HG1      VAL   1   7.203   6.063   1.689
    7   3HG1  VAL   1          3HG1      VAL   1   7.868   6.016   0.044
    8   1HG2  VAL   1          1HG2      VAL   1   6.829   8.242  -0.427
    9   2HG2  VAL   1          2HG2      VAL   1   6.224   8.493   1.225
   10   3HG2  VAL   1          3HG2      VAL   1   7.287   9.702   0.469
   11    H    CYS   2           H        CYS   2  11.264   9.172   2.293
   12    HA   CYS   2           HA       CYS   2  10.715  12.055   3.192
   13   1HB   CYS   2          1HB       CYS   2  12.264  10.579   4.548
   14   2HB   CYS   2          2HB       CYS   2  13.383  10.537   3.185
   15    H    CYS   3           H        CYS   3  13.218  10.702   0.950
   16    HA   CYS   3           HA       CYS   3  11.847  12.240  -1.325
   17   1HB   CYS   3          1HB       CYS   3  13.812  13.540  -0.925
   18   2HB   CYS   3          2HB       CYS   3  14.858  12.117  -0.750
   19    H    GLY   4           H        GLY   4  10.831  10.651  -2.297
   20   1HA   GLY   4          1HA       GLY   4  10.674   8.834  -3.952
   21   2HA   GLY   4          2HA       GLY   4  12.337   8.407  -3.698
   22    H    TYR   5           H        TYR   5  12.816   7.017  -1.991
   23    HA   TYR   5           HA       TYR   5  10.496   5.703  -0.458
   24   1HB   TYR   5          1HB       TYR   5  11.934   4.152  -1.875
   25   2HB   TYR   5          2HB       TYR   5  13.324   4.573  -0.917
   26    HD1  TYR   5           HD1      TYR   5  13.811   3.097   0.938
   27    HD2  TYR   5           HD2      TYR   5   9.740   3.336  -0.445
   28    HE1  TYR   5           HE1      TYR   5  13.122   1.484   2.654
   29    HE2  TYR   5           HE2      TYR   5   9.074   1.720   1.284
   30    HH   TYR   5           HH       TYR   5  11.378   0.533   3.704
   31    H    LYS   6           H        LYS   6  12.302   4.880   1.698
   32    HA   LYS   6           HA       LYS   6  11.963   7.335   3.394
   33   1HB   LYS   6          1HB       LYS   6  12.937   4.511   4.094
   34   2HB   LYS   6          2HB       LYS   6  12.483   5.753   5.246
   35   1HG   LYS   6          1HG       LYS   6  10.090   5.715   4.446
   36   2HG   LYS   6          2HG       LYS   6  10.501   4.503   3.227
   37   1HD   LYS   6          1HD       LYS   6  11.414   3.014   5.109
   38   2HD   LYS   6          2HD       LYS   6  10.762   4.186   6.268
   39   1HE   LYS   6          1HE       LYS   6   8.420   3.774   5.186
   40   2HE   LYS   6          2HE       LYS   6   9.170   2.528   4.181
   41   1HZ   LYS   6          1HZ       LYS   6  10.080   1.737   6.518
   42   2HZ   LYS   6          2HZ       LYS   6   8.831   2.592   7.117
   43    H    LEU   7           H        LEU   7  13.936   7.866   1.633
   44    HA   LEU   7           HA       LEU   7  16.547   8.020   3.269
   45   1HB   LEU   7          1HB       LEU   7  16.138   8.133   0.217
   46   2HB   LEU   7          2HB       LEU   7  17.633   8.397   1.076
   47    HG   LEU   7           HG       LEU   7  17.311   5.943   2.054
   48   1HD1  LEU   7          1HD1      LEU   7  16.207   4.409   0.325
   49   2HD1  LEU   7          2HD1      LEU   7  15.025   5.458   1.115
   50   3HD1  LEU   7          3HD1      LEU   7  15.583   5.835  -0.530
   51   1HD2  LEU   7          1HD2      LEU   7  18.585   5.059   0.073
   52   2HD2  LEU   7          2HD2      LEU   7  18.103   6.476  -0.885
   53   3HD2  LEU   7          3HD2      LEU   7  19.164   6.673   0.529
   54    H    CYS   8           H        CYS   8  16.823  10.002   4.180
   55    HA   CYS   8           HA       CYS   8  15.539  12.479   2.990
   56   1HB   CYS   8          1HB       CYS   8  17.060  11.990   5.613
   57   2HB   CYS   8          2HB       CYS   8  16.584  13.591   5.053
   58    H    HIS   9           H        HIS   9  16.608  12.640   1.073
   59    HA   HIS   9           HA       HIS   9  19.205  14.220   1.272
   60   1HB   HIS   9          1HB       HIS   9  19.908  13.285  -0.985
   61   2HB   HIS   9          2HB       HIS   9  20.037  12.253   0.404
   62    HD2  HIS   9           HD2      HIS   9  19.549   9.808  -0.221
   63    HE1  HIS   9           HE1      HIS   9  16.106  10.318  -2.462
   64    HE2  HIS   9           HE2      HIS   9  17.641   8.503  -1.559
   65    HA   HYP  10           HA       HYP  10  16.800  17.459  -0.515
   66   1HB   HYP  10          1HB       HYP  10  18.709  19.187  -1.539
   67   2HB   HYP  10          2HB       HYP  10  18.443  18.861   0.183
   68   1HD   HYP  10          1HD       HYP  10  20.529  15.629  -0.247
   69   2HD   HYP  10          2HD       HYP  10  19.762  16.495   1.119
   70    HOD  HYP  10           HG2      HYP  10  21.094  19.364  -0.360
   71    HG   HYP  10           HG       HYP  10  20.514  17.548  -1.655
   72    H    CYS  11           H        CYS  11  15.462  16.772  -2.095
   73    HA   CYS  11           HA       CYS  11  16.427  16.248  -4.935
   74   1HB   CYS  11          1HB       CYS  11  13.828  15.589  -3.381
   75   2HB   CYS  11          2HB       CYS  11  14.164  15.095  -5.046
   76    HXT  CYS  11           HO        OH  12  13.735  18.206  -6.448
  Start of MODEL    4
    1   1H    VAL   1          1H        VAL   1   6.983   7.791   2.991
    2   2H    VAL   1          2H        VAL   1   6.722   9.391   2.868
    3    HA   VAL   1           HA       VAL   1   9.314   8.011   2.624
    4    HB   VAL   1           HB       VAL   1   9.307   8.758   0.259
    5   1HG1  VAL   1          1HG1      VAL   1   8.503   6.435   0.864
    6   2HG1  VAL   1          2HG1      VAL   1   6.825   7.025   0.821
    7   3HG1  VAL   1          3HG1      VAL   1   7.822   7.056  -0.650
    8   1HG2  VAL   1          1HG2      VAL   1   7.259   9.514  -0.919
    9   2HG2  VAL   1          2HG2      VAL   1   6.366   9.615   0.615
   10   3HG2  VAL   1          3HG2      VAL   1   7.730  10.708   0.301
   11    H    CYS   2           H        CYS   2  11.139   9.230   2.313
   12    HA   CYS   2           HA       CYS   2  11.016  12.128   3.319
   13   1HB   CYS   2          1HB       CYS   2  12.358  10.362   4.624
   14   2HB   CYS   2          2HB       CYS   2  13.519  10.379   3.290
   15    H    CYS   3           H        CYS   3  13.193  10.409   0.972
   16    HA   CYS   3           HA       CYS   3  11.999  12.155  -1.201
   17   1HB   CYS   3          1HB       CYS   3  13.950  13.465  -0.838
   18   2HB   CYS   3          2HB       CYS   3  15.009  12.061  -0.622
   19    H    GLY   4           H        GLY   4  11.192  10.810  -2.583
   20   1HA   GLY   4          1HA       GLY   4  11.070   8.968  -4.200
   21   2HA   GLY   4          2HA       GLY   4  12.678   8.442  -3.766
   22    H    TYR   5           H        TYR   5  12.879   7.334  -1.733
   23    HA   TYR   5           HA       TYR   5  10.357   5.972  -0.629
   24   1HB   TYR   5          1HB       TYR   5  11.675   4.439  -2.157
   25   2HB   TYR   5          2HB       TYR   5  13.083   4.630  -1.152
   26    HD1  TYR   5           HD1      TYR   5  13.419   3.022   0.579
   27    HD2  TYR   5           HD2      TYR   5   9.436   3.528  -0.967
   28    HE1  TYR   5           HE1      TYR   5  12.654   1.121   1.920
   29    HE2  TYR   5           HE2      TYR   5   8.690   1.597   0.378
   30    HH   TYR   5           HH       TYR   5  10.943  -0.126   2.531
   31    H    LYS   6           H        LYS   6  12.668   4.896   1.332
   32    HA   LYS   6           HA       LYS   6  11.944   6.918   3.424
   33   1HB   LYS   6          1HB       LYS   6  13.486   4.252   3.515
   34   2HB   LYS   6          2HB       LYS   6  13.042   5.177   4.935
   35   1HG   LYS   6          1HG       LYS   6  10.637   4.923   4.527
   36   2HG   LYS   6          2HG       LYS   6  10.912   4.131   2.975
   37   1HD   LYS   6          1HD       LYS   6  12.148   2.264   4.115
   38   2HD   LYS   6          2HD       LYS   6  11.892   3.029   5.683
   39   1HE   LYS   6          1HE       LYS   6   9.388   2.817   5.431
   40   2HE   LYS   6          2HE       LYS   6   9.578   2.155   3.799
   41   1HZ   LYS   6          1HZ       LYS   6  10.919   0.340   4.789
   42   2HZ   LYS   6          2HZ       LYS   6  10.708   0.933   6.277
   43    H    LEU   7           H        LEU   7  14.579   7.088   1.462
   44    HA   LEU   7           HA       LEU   7  16.692   7.817   3.503
   45   1HB   LEU   7          1HB       LEU   7  16.703   7.925   0.424
   46   2HB   LEU   7          2HB       LEU   7  18.050   8.363   1.446
   47    HG   LEU   7           HG       LEU   7  17.955   5.906   2.391
   48   1HD1  LEU   7          1HD1      LEU   7  17.171   4.229   0.653
   49   2HD1  LEU   7          2HD1      LEU   7  15.794   5.144   1.270
   50   3HD1  LEU   7          3HD1      LEU   7  16.464   5.538  -0.322
   51   1HD2  LEU   7          1HD2      LEU   7  19.487   5.174   0.593
   52   2HD2  LEU   7          2HD2      LEU   7  18.886   6.437  -0.512
   53   3HD2  LEU   7          3HD2      LEU   7  19.786   6.877   0.953
   54    H    CYS   8           H        CYS   8  16.907   9.853   4.335
   55    HA   CYS   8           HA       CYS   8  15.623  12.236   3.065
   56   1HB   CYS   8          1HB       CYS   8  17.302  11.875   5.613
   57   2HB   CYS   8          2HB       CYS   8  16.685  13.434   5.068
   58    H    HIS   9           H        HIS   9  16.546  12.658   1.160
   59    HA   HIS   9           HA       HIS   9  19.094  14.293   1.302
   60   1HB   HIS   9          1HB       HIS   9  19.783  13.421  -1.017
   61   2HB   HIS   9          2HB       HIS   9  20.076  12.443   0.385
   62    HD2  HIS   9           HD2      HIS   9  19.684   9.957   0.031
   63    HE1  HIS   9           HE1      HIS   9  16.259  10.046  -2.298
   64    HE2  HIS   9           HE2      HIS   9  17.873   8.434  -1.187
   65    HA   HYP  10           HA       HYP  10  16.364  17.327  -0.483
   66   1HB   HYP  10          1HB       HYP  10  18.070  19.282  -1.296
   67   2HB   HYP  10          2HB       HYP  10  17.857  18.823   0.393
   68   1HD   HYP  10          1HD       HYP  10  20.265  15.883  -0.121
   69   2HD   HYP  10          2HD       HYP  10  19.409  16.669   1.250
   70    HOD  HYP  10           HG2      HYP  10  20.280  19.714  -0.115
   71    HG   HYP  10           HG       HYP  10  20.047  17.807  -1.520
   72    H    CYS  11           H        CYS  11  15.193  16.769  -2.203
   73    HA   CYS  11           HA       CYS  11  16.435  16.225  -4.941
   74   1HB   CYS  11          1HB       CYS  11  13.788  15.379  -3.554
   75   2HB   CYS  11          2HB       CYS  11  14.300  14.853  -5.164
   76    HXT  CYS  11           HO        OH  12  14.101  17.897  -6.946
  Start of MODEL    5
    1   1H    VAL   1          1H        VAL   1   6.556   8.041   2.642
    2   2H    VAL   1          2H        VAL   1   6.495   9.657   2.488
    3    HA   VAL   1           HA       VAL   1   8.955   8.040   2.520
    4    HB   VAL   1           HB       VAL   1   9.197   8.596   0.107
    5   1HG1  VAL   1          1HG1      VAL   1   8.306   6.356   0.839
    6   2HG1  VAL   1          2HG1      VAL   1   6.648   6.969   0.658
    7   3HG1  VAL   1          3HG1      VAL   1   7.713   6.842  -0.762
    8   1HG2  VAL   1          1HG2      VAL   1   7.227   9.230  -1.306
    9   2HG2  VAL   1          2HG2      VAL   1   6.250   9.535   0.147
   10   3HG2  VAL   1          3HG2      VAL   1   7.672  10.546  -0.211
   11    H    CYS   2           H        CYS   2  10.878   9.102   2.471
   12    HA   CYS   2           HA       CYS   2  10.847  12.009   3.341
   13   1HB   CYS   2          1HB       CYS   2  12.189  10.114   4.517
   14   2HB   CYS   2          2HB       CYS   2  13.351  10.257   3.195
   15    H    CYS   3           H        CYS   3  13.329  10.633   1.149
   16    HA   CYS   3           HA       CYS   3  12.093  12.216  -1.166
   17   1HB   CYS   3          1HB       CYS   3  14.150  13.409  -0.594
   18   2HB   CYS   3          2HB       CYS   3  15.090  11.908  -0.596
   19    H    GLY   4           H        GLY   4  11.191  10.789  -2.393
   20   1HA   GLY   4          1HA       GLY   4  11.035   8.897  -3.949
   21   2HA   GLY   4          2HA       GLY   4  12.634   8.390  -3.511
   22    H    TYR   5           H        TYR   5  12.772   7.501  -1.252
   23    HA   TYR   5           HA       TYR   5  10.340   5.860  -0.398
   24   1HB   TYR   5          1HB       TYR   5  11.622   4.451  -1.979
   25   2HB   TYR   5          2HB       TYR   5  13.098   4.673  -1.079
   26    HD1  TYR   5           HD1      TYR   5  13.706   2.841   0.317
   27    HD2  TYR   5           HD2      TYR   5   9.521   3.487  -0.469
   28    HE1  TYR   5           HE1      TYR   5  13.152   0.773   1.508
   29    HE2  TYR   5           HE2      TYR   5   8.989   1.438   0.771
   30    HH   TYR   5           HH       TYR   5  11.514  -0.532   2.332
   31    H    LYS   6           H        LYS   6  13.103   4.944   1.267
   32    HA   LYS   6           HA       LYS   6  12.214   6.580   3.662
   33   1HB   LYS   6          1HB       LYS   6  13.960   4.063   3.333
   34   2HB   LYS   6          2HB       LYS   6  13.699   4.838   4.877
   35   1HG   LYS   6          1HG       LYS   6  11.231   4.531   4.746
   36   2HG   LYS   6          2HG       LYS   6  11.359   3.850   3.126
   37   1HD   LYS   6          1HD       LYS   6  12.779   1.961   4.024
   38   2HD   LYS   6          2HD       LYS   6  12.606   2.614   5.659
   39   1HE   LYS   6          1HE       LYS   6  10.072   2.355   5.499
   40   2HE   LYS   6          2HE       LYS   6  10.226   1.756   3.847
   41   1HZ   LYS   6          1HZ       LYS   6  11.658  -0.059   4.730
   42   2HZ   LYS   6          2HZ       LYS   6  11.458   0.480   6.246
   43    H    LEU   7           H        LEU   7  15.010   6.662   1.644
   44    HA   LEU   7           HA       LEU   7  16.844   7.928   3.646
   45   1HB   LEU   7          1HB       LEU   7  17.012   7.503   0.598
   46   2HB   LEU   7          2HB       LEU   7  18.237   8.343   1.525
   47    HG   LEU   7           HG       LEU   7  18.628   6.251   2.922
   48   1HD1  LEU   7          1HD1      LEU   7  17.988   4.032   1.823
   49   2HD1  LEU   7          2HD1      LEU   7  16.588   4.884   2.471
   50   3HD1  LEU   7          3HD1      LEU   7  16.900   4.907   0.717
   51   1HD2  LEU   7          1HD2      LEU   7  20.062   5.231   1.156
   52   2HD2  LEU   7          2HD2      LEU   7  19.135   6.050  -0.125
   53   3HD2  LEU   7          3HD2      LEU   7  20.114   6.991   1.022
   54    H    CYS   8           H        CYS   8  17.286  10.062   3.943
   55    HA   CYS   8           HA       CYS   8  15.467  12.151   2.627
   56   1HB   CYS   8          1HB       CYS   8  17.234  12.272   5.163
   57   2HB   CYS   8          2HB       CYS   8  16.196  13.568   4.567
   58    H    HIS   9           H        HIS   9  16.664  12.221   0.619
   59    HA   HIS   9           HA       HIS   9  19.280  13.801   0.743
   60   1HB   HIS   9          1HB       HIS   9  18.778  13.275  -2.015
   61   2HB   HIS   9          2HB       HIS   9  20.052  12.707  -0.999
   62    HD2  HIS   9           HD2      HIS   9  20.088  10.083  -0.395
   63    HE1  HIS   9           HE1      HIS   9  16.344   9.064  -1.901
   64    HE2  HIS   9           HE2      HIS   9  18.473   8.045  -0.893
   65    HA   HYP  10           HA       HYP  10  17.080  17.615  -0.367
   66   1HB   HYP  10          1HB       HYP  10  19.097  19.194  -1.349
   67   2HB   HYP  10          2HB       HYP  10  18.989  18.689   0.345
   68   1HD   HYP  10          1HD       HYP  10  20.548  15.305  -0.728
   69   2HD   HYP  10          2HD       HYP  10  20.146  16.081   0.837
   70    HOD  HYP  10           HG2      HYP  10  21.411  19.019  -0.266
   71    HG   HYP  10           HG       HYP  10  20.632  17.368  -1.887
   72    H    CYS  11           H        CYS  11  15.660  16.804  -1.870
   73    HA   CYS  11           HA       CYS  11  16.443  16.306  -4.698
   74   1HB   CYS  11          1HB       CYS  11  13.908  15.751  -3.017
   75   2HB   CYS  11          2HB       CYS  11  14.132  15.238  -4.692
   76    HXT  CYS  11           HO        OH  12  15.010  18.736  -6.540
  Start of MODEL    6
    1   1H    VAL   1          1H        VAL   1   6.996   7.501   3.853
    2   2H    VAL   1          2H        VAL   1   6.916   9.082   4.208
    3    HA   VAL   1           HA       VAL   1   9.258   7.808   2.951
    4    HB   VAL   1           HB       VAL   1   8.516   8.822   0.790
    5   1HG1  VAL   1          1HG1      VAL   1   8.161   6.392   1.227
    6   2HG1  VAL   1          2HG1      VAL   1   6.522   6.735   1.833
    7   3HG1  VAL   1          3HG1      VAL   1   6.942   7.078   0.138
    8   1HG2  VAL   1          1HG2      VAL   1   6.174   9.475   0.348
    9   2HG2  VAL   1          2HG2      VAL   1   5.735   9.263   2.059
   10   3HG2  VAL   1          3HG2      VAL   1   6.858  10.555   1.575
   11    H    CYS   2           H        CYS   2  10.769   9.192   2.009
   12    HA   CYS   2           HA       CYS   2  10.705  12.142   2.890
   13   1HB   CYS   2          1HB       CYS   2  12.180  10.556   4.328
   14   2HB   CYS   2          2HB       CYS   2  13.282  10.505   2.948
   15    H    CYS   3           H        CYS   3  13.355  10.865   0.921
   16    HA   CYS   3           HA       CYS   3  12.053  12.110  -1.577
   17   1HB   CYS   3          1HB       CYS   3  14.032  13.406  -0.890
   18   2HB   CYS   3          2HB       CYS   3  15.045  11.950  -0.901
   19    H    GLY   4           H        GLY   4  11.555  10.677  -3.063
   20   1HA   GLY   4          1HA       GLY   4  11.393   8.582  -4.284
   21   2HA   GLY   4          2HA       GLY   4  12.966   8.132  -3.675
   22    H    TYR   5           H        TYR   5  12.935   7.421  -1.363
   23    HA   TYR   5           HA       TYR   5  10.471   5.744  -0.614
   24   1HB   TYR   5          1HB       TYR   5  11.934   4.307  -1.960
   25   2HB   TYR   5          2HB       TYR   5  13.355   4.756  -1.056
   26    HD1  TYR   5           HD1      TYR   5  14.183   3.059   0.320
   27    HD2  TYR   5           HD2      TYR   5   9.909   3.308  -0.198
   28    HE1  TYR   5           HE1      TYR   5  13.882   1.102   1.761
   29    HE2  TYR   5           HE2      TYR   5   9.640   1.351   1.256
   30    HH   TYR   5           HH       TYR   5  12.421  -0.520   2.397
   31    H    LYS   6           H        LYS   6  12.774   4.891   1.522
   32    HA   LYS   6           HA       LYS   6  11.831   6.766   3.644
   33   1HB   LYS   6          1HB       LYS   6  13.936   4.504   3.626
   34   2HB   LYS   6          2HB       LYS   6  13.456   5.362   5.072
   35   1HG   LYS   6          1HG       LYS   6  11.154   4.547   4.980
   36   2HG   LYS   6          2HG       LYS   6  11.377   3.850   3.377
   37   1HD   LYS   6          1HD       LYS   6  13.098   2.263   4.241
   38   2HD   LYS   6          2HD       LYS   6  12.966   2.940   5.865
   39   1HE   LYS   6          1HE       LYS   6  10.573   2.220   6.036
   40   2HE   LYS   6          2HE       LYS   6  10.567   1.676   4.349
   41   1HZ   LYS   6          1HZ       LYS   6  12.236   0.037   4.882
   42   2HZ   LYS   6          2HZ       LYS   6  12.475   0.599   6.366
   43    H    LEU   7           H        LEU   7  14.723   6.800   1.703
   44    HA   LEU   7           HA       LEU   7  16.494   8.149   3.650
   45   1HB   LEU   7          1HB       LEU   7  16.750   7.606   0.636
   46   2HB   LEU   7          2HB       LEU   7  17.988   8.370   1.605
   47    HG   LEU   7           HG       LEU   7  18.009   6.242   3.102
   48   1HD1  LEU   7          1HD1      LEU   7  17.395   4.094   1.855
   49   2HD1  LEU   7          2HD1      LEU   7  15.978   5.026   2.326
   50   3HD1  LEU   7          3HD1      LEU   7  16.540   5.070   0.636
   51   1HD2  LEU   7          1HD2      LEU   7  19.591   5.119   1.507
   52   2HD2  LEU   7          2HD2      LEU   7  18.978   6.127   0.174
   53   3HD2  LEU   7          3HD2      LEU   7  19.838   6.869   1.545
   54    H    CYS   8           H        CYS   8  16.749  10.288   4.061
   55    HA   CYS   8           HA       CYS   8  15.279  12.376   2.456
   56   1HB   CYS   8          1HB       CYS   8  16.955  12.480   5.049
   57   2HB   CYS   8          2HB       CYS   8  16.209  13.899   4.306
   58    H    HIS   9           H        HIS   9  16.583  11.911   0.518
   59    HA   HIS   9           HA       HIS   9  19.256  13.170   0.245
   60   1HB   HIS   9          1HB       HIS   9  17.445  12.977  -2.169
   61   2HB   HIS   9          2HB       HIS   9  19.158  12.761  -2.075
   62    HD2  HIS   9           HD2      HIS   9  19.611  10.184  -0.330
   63    HE1  HIS   9           HE1      HIS   9  16.315   8.451  -2.135
   64    HE2  HIS   9           HE2      HIS   9  18.476   7.842  -0.896
   65    HA   HYP  10           HA       HYP  10  17.868  17.533  -0.252
   66   1HB   HYP  10          1HB       HYP  10  20.007  18.702  -1.462
   67   2HB   HYP  10          2HB       HYP  10  20.123  17.964   0.148
   68   1HD   HYP  10          1HD       HYP  10  20.492  14.541  -1.588
   69   2HD   HYP  10          2HD       HYP  10  20.717  15.121   0.090
   70    HOD  HYP  10           HG2      HYP  10  22.371  17.851  -1.077
   71    HG   HYP  10           HG       HYP  10  20.856  16.658  -2.536
   72    H    CYS  11           H        CYS  11  16.174  16.516  -1.661
   73    HA   CYS  11           HA       CYS  11  16.515  16.484  -4.577
   74   1HB   CYS  11          1HB       CYS  11  14.176  15.794  -2.699
   75   2HB   CYS  11          2HB       CYS  11  14.119  15.570  -4.456
   76    HXT  CYS  11           HO        OH  12  15.338  19.404  -5.764
  Start of MODEL    7
    1   1H    VAL   1          1H        VAL   1   7.363   7.071   4.400
    2   2H    VAL   1          2H        VAL   1   7.112   8.643   4.688
    3    HA   VAL   1           HA       VAL   1   9.362   7.521   3.162
    4    HB   VAL   1           HB       VAL   1   8.267   8.483   1.131
    5   1HG1  VAL   1          1HG1      VAL   1   8.032   6.052   1.617
    6   2HG1  VAL   1          2HG1      VAL   1   6.515   6.355   2.498
    7   3HG1  VAL   1          3HG1      VAL   1   6.620   6.688   0.754
    8   1HG2  VAL   1          1HG2      VAL   1   5.849   9.071   1.070
    9   2HG2  VAL   1          2HG2      VAL   1   5.726   8.908   2.836
   10   3HG2  VAL   1          3HG2      VAL   1   6.724  10.195   2.125
   11    H    CYS   2           H        CYS   2  10.628   9.011   1.925
   12    HA   CYS   2           HA       CYS   2  10.448  11.962   2.680
   13   1HB   CYS   2          1HB       CYS   2  12.113  10.624   4.244
   14   2HB   CYS   2          2HB       CYS   2  13.189  10.602   2.858
   15    H    CYS   3           H        CYS   3  13.317  11.090   0.915
   16    HA   CYS   3           HA       CYS   3  12.043  12.217  -1.637
   17   1HB   CYS   3          1HB       CYS   3  14.073  13.398  -0.856
   18   2HB   CYS   3          2HB       CYS   3  15.018  11.903  -0.963
   19    H    GLY   4           H        GLY   4  11.277  10.715  -2.907
   20   1HA   GLY   4          1HA       GLY   4  11.132   8.666  -4.241
   21   2HA   GLY   4          2HA       GLY   4  12.725   8.196  -3.720
   22    H    TYR   5           H        TYR   5  12.872   7.213  -1.606
   23    HA   TYR   5           HA       TYR   5  10.347   5.698  -0.698
   24   1HB   TYR   5          1HB       TYR   5  11.832   4.227  -2.034
   25   2HB   TYR   5          2HB       TYR   5  13.182   4.563  -0.995
   26    HD1  TYR   5           HD1      TYR   5  13.560   3.145   0.897
   27    HD2  TYR   5           HD2      TYR   5   9.679   3.083  -0.929
   28    HE1  TYR   5           HE1      TYR   5  12.992   1.154   2.194
   29    HE2  TYR   5           HE2      TYR   5   9.098   1.088   0.416
   30    HH   TYR   5           HH       TYR   5  11.521  -0.467   2.514
   31    H    LYS   6           H        LYS   6  13.320   5.377   1.088
   32    HA   LYS   6           HA       LYS   6  11.921   6.775   3.430
   33   1HB   LYS   6          1HB       LYS   6  14.083   4.584   3.270
   34   2HB   LYS   6          2HB       LYS   6  13.728   5.431   4.758
   35   1HG   LYS   6          1HG       LYS   6  11.332   4.734   4.692
   36   2HG   LYS   6          2HG       LYS   6  11.601   3.828   3.209
   37   1HD   LYS   6          1HD       LYS   6  13.277   2.365   4.340
   38   2HD   LYS   6          2HD       LYS   6  13.246   3.371   5.780
   39   1HE   LYS   6          1HE       LYS   6  10.696   2.774   6.020
   40   2HE   LYS   6          2HE       LYS   6  10.940   1.630   4.689
   41   1HZ   LYS   6          1HZ       LYS   6  11.588   0.238   6.338
   42   2HZ   LYS   6          2HZ       LYS   6  13.017   1.008   6.288
   43    H    LEU   7           H        LEU   7  15.143   6.876   1.875
   44    HA   LEU   7           HA       LEU   7  16.302   8.544   4.045
   45   1HB   LEU   7          1HB       LEU   7  17.294   7.510   1.342
   46   2HB   LEU   7          2HB       LEU   7  18.157   8.815   2.103
   47    HG   LEU   7           HG       LEU   7  18.527   7.475   4.173
   48   1HD1  LEU   7          1HD1      LEU   7  18.231   4.962   4.076
   49   2HD1  LEU   7          2HD1      LEU   7  16.666   5.789   4.051
   50   3HD1  LEU   7          3HD1      LEU   7  17.340   5.123   2.546
   51   1HD2  LEU   7          1HD2      LEU   7  20.317   6.076   3.171
   52   2HD2  LEU   7          2HD2      LEU   7  19.532   6.133   1.586
   53   3HD2  LEU   7          3HD2      LEU   7  20.223   7.614   2.295
   54    H    CYS   8           H        CYS   8  16.431  10.672   4.272
   55    HA   CYS   8           HA       CYS   8  15.148  12.560   2.331
   56   1HB   CYS   8          1HB       CYS   8  16.643  12.982   4.995
   57   2HB   CYS   8          2HB       CYS   8  15.882  14.274   4.067
   58    H    HIS   9           H        HIS   9  16.548  11.939   0.538
   59    HA   HIS   9           HA       HIS   9  19.236  13.116   0.242
   60   1HB   HIS   9          1HB       HIS   9  17.370  12.861  -2.143
   61   2HB   HIS   9          2HB       HIS   9  19.095  12.705  -2.108
   62    HD2  HIS   9           HD2      HIS   9  19.587  10.216  -0.161
   63    HE1  HIS   9           HE1      HIS   9  16.253   8.363  -1.754
   64    HE2  HIS   9           HE2      HIS   9  18.379   7.860  -0.437
   65    HA   HYP  10           HA       HYP  10  17.860  17.505  -0.257
   66   1HB   HYP  10          1HB       HYP  10  20.119  18.690  -1.258
   67   2HB   HYP  10          2HB       HYP  10  19.996  18.047   0.385
   68   1HD   HYP  10          1HD       HYP  10  20.672  14.541  -1.189
   69   2HD   HYP  10          2HD       HYP  10  20.614  15.130   0.500
   70    HOD  HYP  10           HG2      HYP  10  22.431  17.877  -0.394
   71    HG   HYP  10           HG       HYP  10  21.207  16.651  -2.066
   72    H    CYS  11           H        CYS  11  16.313  16.514  -1.775
   73    HA   CYS  11           HA       CYS  11  16.790  16.493  -4.686
   74   1HB   CYS  11          1HB       CYS  11  14.277  15.979  -2.950
   75   2HB   CYS  11          2HB       CYS  11  14.370  15.682  -4.691
   76    HXT  CYS  11           HO        OH  12  15.887  19.639  -5.608
  Start of MODEL    8
    1   1H    VAL   1          1H        VAL   1   7.861   6.891   4.919
    2   2H    VAL   1          2H        VAL   1   7.368   8.433   4.986
    3    HA   VAL   1           HA       VAL   1   9.608   7.425   3.377
    4    HB   VAL   1           HB       VAL   1   8.195   7.881   1.374
    5   1HG1  VAL   1          1HG1      VAL   1   8.468   5.553   2.214
    6   2HG1  VAL   1          2HG1      VAL   1   7.023   5.730   3.238
    7   3HG1  VAL   1          3HG1      VAL   1   6.877   5.786   1.470
    8   1HG2  VAL   1          1HG2      VAL   1   5.703   8.010   1.528
    9   2HG2  VAL   1          2HG2      VAL   1   5.796   8.147   3.297
   10   3HG2  VAL   1          3HG2      VAL   1   6.454   9.438   2.268
   11    H    CYS   2           H        CYS   2  10.694   8.847   2.069
   12    HA   CYS   2           HA       CYS   2  10.349  11.853   2.595
   13   1HB   CYS   2          1HB       CYS   2  12.005  10.658   4.230
   14   2HB   CYS   2          2HB       CYS   2  13.087  10.482   2.845
   15    H    CYS   3           H        CYS   3  13.237  11.206   0.881
   16    HA   CYS   3           HA       CYS   3  11.898  12.246  -1.654
   17   1HB   CYS   3          1HB       CYS   3  13.862  13.479  -0.860
   18   2HB   CYS   3          2HB       CYS   3  14.868  12.017  -0.928
   19    H    GLY   4           H        GLY   4  10.909  10.571  -2.526
   20   1HA   GLY   4          1HA       GLY   4  10.837   8.631  -4.115
   21   2HA   GLY   4          2HA       GLY   4  12.460   8.183  -3.699
   22    H    TYR   5           H        TYR   5  12.742   6.756  -1.979
   23    HA   TYR   5           HA       TYR   5  10.243   5.643  -0.589
   24   1HB   TYR   5          1HB       TYR   5  11.616   4.020  -1.894
   25   2HB   TYR   5          2HB       TYR   5  12.996   4.334  -0.874
   26    HD1  TYR   5           HD1      TYR   5  13.324   2.575   0.751
   27    HD2  TYR   5           HD2      TYR   5   9.280   3.552  -0.360
   28    HE1  TYR   5           HE1      TYR   5  12.481   0.867   2.284
   29    HE2  TYR   5           HE2      TYR   5   8.461   1.841   1.185
   30    HH   TYR   5           HH       TYR   5  10.655  -0.291   2.970
   31    H    LYS   6           H        LYS   6  13.236   5.281   1.155
   32    HA   LYS   6           HA       LYS   6  11.942   6.954   3.369
   33   1HB   LYS   6          1HB       LYS   6  13.899   4.592   3.398
   34   2HB   LYS   6          2HB       LYS   6  13.555   5.532   4.832
   35   1HG   LYS   6          1HG       LYS   6  11.121   5.023   4.713
   36   2HG   LYS   6          2HG       LYS   6  11.355   4.079   3.239
   37   1HD   LYS   6          1HD       LYS   6  12.884   2.501   4.421
   38   2HD   LYS   6          2HD       LYS   6  12.813   3.471   5.896
   39   1HE   LYS   6          1HE       LYS   6  10.298   3.049   6.048
   40   2HE   LYS   6          2HE       LYS   6  10.390   2.056   4.583
   41   1HZ   LYS   6          1HZ       LYS   6  12.119   0.687   5.785
   42   2HZ   LYS   6          2HZ       LYS   6  11.916   1.563   7.105
   43    H    LEU   7           H        LEU   7  15.087   6.958   1.719
   44    HA   LEU   7           HA       LEU   7  16.448   8.510   3.868
   45   1HB   LEU   7          1HB       LEU   7  17.187   7.752   1.006
   46   2HB   LEU   7          2HB       LEU   7  18.143   8.910   1.889
   47    HG   LEU   7           HG       LEU   7  18.644   7.249   3.686
   48   1HD1  LEU   7          1HD1      LEU   7  18.281   4.783   3.190
   49   2HD1  LEU   7          2HD1      LEU   7  16.749   5.617   3.479
   50   3HD1  LEU   7          3HD1      LEU   7  17.242   5.214   1.817
   51   1HD2  LEU   7          1HD2      LEU   7  20.269   5.975   2.254
   52   2HD2  LEU   7          2HD2      LEU   7  19.352   6.383   0.793
   53   3HD2  LEU   7          3HD2      LEU   7  20.177   7.659   1.723
   54    H    CYS   8           H        CYS   8  16.534  10.639   4.194
   55    HA   CYS   8           HA       CYS   8  15.134  12.592   2.355
   56   1HB   CYS   8          1HB       CYS   8  16.484  12.892   5.099
   57   2HB   CYS   8          2HB       CYS   8  15.846  14.241   4.183
   58    H    HIS   9           H        HIS   9  16.513  12.207   0.564
   59    HA   HIS   9           HA       HIS   9  19.267  13.250   0.427
   60   1HB   HIS   9          1HB       HIS   9  17.387  13.064  -1.966
   61   2HB   HIS   9          2HB       HIS   9  19.116  12.937  -1.977
   62    HD2  HIS   9           HD2      HIS   9  19.922  10.431  -0.333
   63    HE1  HIS   9           HE1      HIS   9  16.488   8.489  -1.587
   64    HE2  HIS   9           HE2      HIS   9  18.837   8.035  -0.641
   65    HA   HYP  10           HA       HYP  10  18.297  17.730  -0.451
   66   1HB   HYP  10          1HB       HYP  10  20.539  18.547  -1.777
   67   2HB   HYP  10          2HB       HYP  10  20.581  18.058  -0.074
   68   1HD   HYP  10          1HD       HYP  10  20.708  14.389  -1.269
   69   2HD   HYP  10          2HD       HYP  10  20.928  15.199   0.314
   70    HOD  HYP  10           HG2      HYP  10  23.153  16.509  -1.723
   71    HG   HYP  10           HG       HYP  10  21.210  16.309  -2.518
   72    H    CYS  11           H        CYS  11  16.557  16.574  -1.747
   73    HA   CYS  11           HA       CYS  11  16.777  16.493  -4.710
   74   1HB   CYS  11          1HB       CYS  11  14.405  16.062  -2.765
   75   2HB   CYS  11          2HB       CYS  11  14.343  15.759  -4.509
   76    HXT  CYS  11           HO        OH  12  16.033  19.761  -5.397
  Start of MODEL    9
    1   1H    VAL   1          1H        VAL   1   8.086   6.882   5.191
    2   2H    VAL   1          2H        VAL   1   7.756   8.437   5.519
    3    HA   VAL   1           HA       VAL   1   9.481   7.452   3.352
    4    HB   VAL   1           HB       VAL   1   7.762   8.292   1.773
    5   1HG1  VAL   1          1HG1      VAL   1   7.837   5.863   2.337
    6   2HG1  VAL   1          2HG1      VAL   1   6.659   6.114   3.647
    7   3HG1  VAL   1          3HG1      VAL   1   6.189   6.391   1.955
    8   1HG2  VAL   1          1HG2      VAL   1   5.401   8.720   2.453
    9   2HG2  VAL   1          2HG2      VAL   1   5.839   8.600   4.171
   10   3HG2  VAL   1          3HG2      VAL   1   6.473   9.933   3.180
   11    H    CYS   2           H        CYS   2  10.544   8.936   2.077
   12    HA   CYS   2           HA       CYS   2  10.366  11.913   2.766
   13   1HB   CYS   2          1HB       CYS   2  12.060  10.656   4.316
   14   2HB   CYS   2          2HB       CYS   2  13.097  10.537   2.897
   15    H    CYS   3           H        CYS   3  13.169  10.983   0.920
   16    HA   CYS   3           HA       CYS   3  11.790  12.013  -1.618
   17   1HB   CYS   3          1HB       CYS   3  13.699  13.335  -0.844
   18   2HB   CYS   3          2HB       CYS   3  14.756  11.909  -0.822
   19    H    GLY   4           H        GLY   4  11.193  10.545  -3.008
   20   1HA   GLY   4          1HA       GLY   4  11.190   8.530  -4.407
   21   2HA   GLY   4          2HA       GLY   4  12.737   8.064  -3.764
   22    H    TYR   5           H        TYR   5  12.721   7.030  -1.705
   23    HA   TYR   5           HA       TYR   5  10.102   5.688  -0.794
   24   1HB   TYR   5          1HB       TYR   5  11.435   4.059  -2.047
   25   2HB   TYR   5          2HB       TYR   5  12.878   4.407  -1.139
   26    HD1  TYR   5           HD1      TYR   5  13.398   2.975   0.685
   27    HD2  TYR   5           HD2      TYR   5   9.307   3.180  -0.603
   28    HE1  TYR   5           HE1      TYR   5  12.858   1.025   2.088
   29    HE2  TYR   5           HE2      TYR   5   8.769   1.274   0.849
   30    HH   TYR   5           HH       TYR   5  11.259  -0.342   2.829
   31    H    LYS   6           H        LYS   6  13.204   5.477   0.870
   32    HA   LYS   6           HA       LYS   6  11.867   6.863   3.266
   33   1HB   LYS   6          1HB       LYS   6  14.001   4.666   3.029
   34   2HB   LYS   6          2HB       LYS   6  13.713   5.513   4.533
   35   1HG   LYS   6          1HG       LYS   6  11.326   4.800   4.600
   36   2HG   LYS   6          2HG       LYS   6  11.499   3.942   3.074
   37   1HD   LYS   6          1HD       LYS   6  13.287   2.475   4.043
   38   2HD   LYS   6          2HD       LYS   6  13.279   3.396   5.540
   39   1HE   LYS   6          1HE       LYS   6  10.810   2.704   5.893
   40   2HE   LYS   6          2HE       LYS   6  10.928   1.691   4.447
   41   1HZ   LYS   6          1HZ       LYS   6  11.481   0.407   6.452
   42   2HZ   LYS   6          2HZ       LYS   6  12.815   0.523   5.505
   43    H    LEU   7           H        LEU   7  15.018   6.973   1.568
   44    HA   LEU   7           HA       LEU   7  16.293   8.546   3.666
   45   1HB   LEU   7          1HB       LEU   7  17.044   7.785   0.808
   46   2HB   LEU   7          2HB       LEU   7  17.932   9.076   1.572
   47    HG   LEU   7           HG       LEU   7  18.513   7.574   3.530
   48   1HD1  LEU   7          1HD1      LEU   7  18.364   5.105   3.210
   49   2HD1  LEU   7          2HD1      LEU   7  16.732   5.781   3.182
   50   3HD1  LEU   7          3HD1      LEU   7  17.521   5.303   1.662
   51   1HD2  LEU   7          1HD2      LEU   7  20.338   6.463   2.196
   52   2HD2  LEU   7          2HD2      LEU   7  19.436   6.758   0.691
   53   3HD2  LEU   7          3HD2      LEU   7  20.066   8.119   1.638
   54    H    CYS   8           H        CYS   8  16.668  10.622   4.007
   55    HA   CYS   8           HA       CYS   8  15.208  12.756   2.377
   56   1HB   CYS   8          1HB       CYS   8  16.625  12.729   5.121
   57   2HB   CYS   8          2HB       CYS   8  15.974  14.183   4.393
   58    H    HIS   9           H        HIS   9  16.819  12.142   0.602
   59    HA   HIS   9           HA       HIS   9  19.479  13.407   0.568
   60   1HB   HIS   9          1HB       HIS   9  17.936  13.336  -2.040
   61   2HB   HIS   9          2HB       HIS   9  19.594  12.960  -1.736
   62    HD2  HIS   9           HD2      HIS   9  19.956  10.320  -0.456
   63    HE1  HIS   9           HE1      HIS   9  16.331   8.929  -1.952
   64    HE2  HIS   9           HE2      HIS   9  18.492   8.119  -0.827
   65    HA   HYP  10           HA       HYP  10  18.168  17.822  -0.386
   66   1HB   HYP  10          1HB       HYP  10  20.324  18.793  -1.722
   67   2HB   HYP  10          2HB       HYP  10  20.457  18.285  -0.032
   68   1HD   HYP  10          1HD       HYP  10  20.850  14.644  -1.128
   69   2HD   HYP  10          2HD       HYP  10  21.042  15.572   0.388
   70    HOD  HYP  10           HG2      HYP  10  23.021  16.452  -1.738
   71    HG   HYP  10           HG       HYP  10  21.026  16.567  -2.518
   72    H    CYS  11           H        CYS  11  16.472  16.559  -1.650
   73    HA   CYS  11           HA       CYS  11  16.789  16.147  -4.540
   74   1HB   CYS  11          1HB       CYS  11  14.378  15.884  -2.632
   75   2HB   CYS  11          2HB       CYS  11  14.289  15.501  -4.356
   76    HXT  CYS  11           HO        OH  12  15.285  18.593  -6.306
  Start of MODEL   10
    1   1H    VAL   1          1H        VAL   1   8.104   6.619   5.057
    2   2H    VAL   1          2H        VAL   1   7.541   8.124   5.298
    3    HA   VAL   1           HA       VAL   1   9.676   7.302   3.451
    4    HB   VAL   1           HB       VAL   1   8.177   8.047   1.619
    5   1HG1  VAL   1          1HG1      VAL   1   8.274   5.627   2.201
    6   2HG1  VAL   1          2HG1      VAL   1   6.898   5.817   3.314
    7   3HG1  VAL   1          3HG1      VAL   1   6.683   6.086   1.569
    8   1HG2  VAL   1          1HG2      VAL   1   5.732   8.378   1.915
    9   2HG2  VAL   1          2HG2      VAL   1   5.900   8.290   3.683
   10   3HG2  VAL   1          3HG2      VAL   1   6.627   9.637   2.777
   11    H    CYS   2           H        CYS   2  10.642   8.893   2.126
   12    HA   CYS   2           HA       CYS   2  10.355  11.813   2.991
   13   1HB   CYS   2          1HB       CYS   2  12.169  10.575   4.412
   14   2HB   CYS   2          2HB       CYS   2  13.149  10.551   2.948
   15    H    CYS   3           H        CYS   3  13.149  11.379   1.048
   16    HA   CYS   3           HA       CYS   3  11.615  12.323  -1.416
   17   1HB   CYS   3          1HB       CYS   3  13.568  13.650  -0.963
   18   2HB   CYS   3          2HB       CYS   3  14.616  12.224  -0.776
   19    H    GLY   4           H        GLY   4  11.024  10.942  -2.900
   20   1HA   GLY   4          1HA       GLY   4  11.003   9.061  -4.419
   21   2HA   GLY   4          2HA       GLY   4  12.618   8.661  -3.912
   22    H    TYR   5           H        TYR   5  12.578   7.716  -1.607
   23    HA   TYR   5           HA       TYR   5  10.198   5.971  -0.986
   24   1HB   TYR   5          1HB       TYR   5  11.744   4.542  -2.406
   25   2HB   TYR   5          2HB       TYR   5  13.014   4.736  -1.242
   26    HD1  TYR   5           HD1      TYR   5  13.301   2.747   0.042
   27    HD2  TYR   5           HD2      TYR   5   9.302   3.813  -1.126
   28    HE1  TYR   5           HE1      TYR   5  12.439   0.709   1.102
   29    HE2  TYR   5           HE2      TYR   5   8.458   1.769  -0.066
   30    HH   TYR   5           HH       TYR   5  10.602  -0.474   1.670
   31    H    LYS   6           H        LYS   6  13.415   5.886   0.569
   32    HA   LYS   6           HA       LYS   6  12.041   7.003   3.099
   33   1HB   LYS   6          1HB       LYS   6  14.036   4.680   2.811
   34   2HB   LYS   6          2HB       LYS   6  13.604   5.402   4.350
   35   1HG   LYS   6          1HG       LYS   6  11.139   4.886   3.914
   36   2HG   LYS   6          2HG       LYS   6  11.589   4.090   2.418
   37   1HD   LYS   6          1HD       LYS   6  13.019   2.444   3.628
   38   2HD   LYS   6          2HD       LYS   6  12.685   3.221   5.177
   39   1HE   LYS   6          1HE       LYS   6  10.170   2.738   4.850
   40   2HE   LYS   6          2HE       LYS   6  10.553   1.978   3.297
   41   1HZ   LYS   6          1HZ       LYS   6  12.016   0.417   4.512
   42   2HZ   LYS   6          2HZ       LYS   6  11.628   1.083   5.936
   43    H    LEU   7           H        LEU   7  15.207   7.068   1.462
   44    HA   LEU   7           HA       LEU   7  16.594   8.568   3.535
   45   1HB   LEU   7          1HB       LEU   7  17.032   8.148   0.522
   46   2HB   LEU   7          2HB       LEU   7  17.990   9.334   1.344
   47    HG   LEU   7           HG       LEU   7  18.917   7.696   2.940
   48   1HD1  LEU   7          1HD1      LEU   7  18.675   5.242   2.557
   49   2HD1  LEU   7          2HD1      LEU   7  17.102   5.931   2.979
   50   3HD1  LEU   7          3HD1      LEU   7  17.465   5.514   1.289
   51   1HD2  LEU   7          1HD2      LEU   7  20.336   6.518   1.173
   52   2HD2  LEU   7          2HD2      LEU   7  19.161   7.002  -0.066
   53   3HD2  LEU   7          3HD2      LEU   7  20.097   8.235   0.805
   54    H    CYS   8           H        CYS   8  16.316  10.593   4.269
   55    HA   CYS   8           HA       CYS   8  15.308  12.872   2.555
   56   1HB   CYS   8          1HB       CYS   8  16.550  12.828   5.385
   57   2HB   CYS   8          2HB       CYS   8  15.877  14.246   4.589
   58    H    HIS   9           H        HIS   9  17.069  12.095   0.966
   59    HA   HIS   9           HA       HIS   9  19.555  13.843   1.171
   60   1HB   HIS   9          1HB       HIS   9  20.082  12.984  -1.144
   61   2HB   HIS   9          2HB       HIS   9  20.174  11.862   0.177
   62    HD2  HIS   9           HD2      HIS   9  20.039   9.719  -1.331
   63    HE1  HIS   9           HE1      HIS   9  16.012  10.068  -2.356
   64    HE2  HIS   9           HE2      HIS   9  17.985   8.407  -2.412
   65    HA   HYP  10           HA       HYP  10  17.196  17.297  -0.392
   66   1HB   HYP  10          1HB       HYP  10  19.145  19.038  -1.260
   67   2HB   HYP  10          2HB       HYP  10  18.923  18.563   0.416
   68   1HD   HYP  10          1HD       HYP  10  20.882  15.313  -0.395
   69   2HD   HYP  10          2HD       HYP  10  20.262  16.077   1.101
   70    HOD  HYP  10           HG2      HYP  10  21.711  18.929  -0.270
   71    HG   HYP  10           HG       HYP  10  20.882  17.342  -1.603
   72    H    CYS  11           H        CYS  11  16.014  16.207  -2.011
   73    HA   CYS  11           HA       CYS  11  16.906  15.833  -4.769
   74   1HB   CYS  11          1HB       CYS  11  14.146  15.707  -3.386
   75   2HB   CYS  11          2HB       CYS  11  14.436  15.200  -5.056
   76    HXT  CYS  11           HO        OH  12  15.408  18.174  -6.826
  Start of MODEL   11
    1   1H    VAL   1          1H        VAL   1   7.501   7.905   4.873
    2   2H    VAL   1          2H        VAL   1   8.991   7.972   5.524
    3    HA   VAL   1           HA       VAL   1   9.964   7.220   3.433
    4    HB   VAL   1           HB       VAL   1   8.604   7.492   1.346
    5   1HG1  VAL   1          1HG1      VAL   1   9.270   5.235   2.152
    6   2HG1  VAL   1          2HG1      VAL   1   7.782   5.119   3.128
    7   3HG1  VAL   1          3HG1      VAL   1   7.690   5.187   1.352
    8   1HG2  VAL   1          1HG2      VAL   1   6.151   7.176   1.350
    9   2HG2  VAL   1          2HG2      VAL   1   6.109   7.180   3.129
   10   3HG2  VAL   1          3HG2      VAL   1   6.550   8.653   2.249
   11    H    CYS   2           H        CYS   2  11.018   8.850   2.332
   12    HA   CYS   2           HA       CYS   2  10.372  11.678   3.387
   13   1HB   CYS   2          1HB       CYS   2  12.182  10.383   4.645
   14   2HB   CYS   2          2HB       CYS   2  13.168  10.422   3.180
   15    H    CYS   3           H        CYS   3  13.121  11.334   1.244
   16    HA   CYS   3           HA       CYS   3  11.457  12.384  -1.108
   17   1HB   CYS   3          1HB       CYS   3  13.273  13.924  -0.695
   18   2HB   CYS   3          2HB       CYS   3  14.472  12.613  -0.589
   19    H    GLY   4           H        GLY   4  11.126  11.106  -2.738
   20   1HA   GLY   4          1HA       GLY   4  11.152   9.174  -4.203
   21   2HA   GLY   4          2HA       GLY   4  12.748   8.780  -3.608
   22    H    TYR   5           H        TYR   5  12.898   7.170  -2.078
   23    HA   TYR   5           HA       TYR   5  10.336   5.932  -0.913
   24   1HB   TYR   5          1HB       TYR   5  11.697   4.371  -2.349
   25   2HB   TYR   5          2HB       TYR   5  13.080   4.600  -1.318
   26    HD1  TYR   5           HD1      TYR   5  13.414   2.723   0.138
   27    HD2  TYR   5           HD2      TYR   5   9.363   3.817  -0.828
   28    HE1  TYR   5           HE1      TYR   5  12.577   0.870   1.510
   29    HE2  TYR   5           HE2      TYR   5   8.548   1.955   0.544
   30    HH   TYR   5           HH       TYR   5  10.767  -0.239   2.251
   31    H    LYS   6           H        LYS   6  13.015   5.073   0.921
   32    HA   LYS   6           HA       LYS   6  12.068   6.874   3.144
   33   1HB   LYS   6          1HB       LYS   6  13.902   4.413   3.050
   34   2HB   LYS   6          2HB       LYS   6  13.537   5.278   4.524
   35   1HG   LYS   6          1HG       LYS   6  11.083   4.852   4.293
   36   2HG   LYS   6          2HG       LYS   6  11.347   4.000   2.771
   37   1HD   LYS   6          1HD       LYS   6  12.788   2.320   3.878
   38   2HD   LYS   6          2HD       LYS   6  12.676   3.171   5.423
   39   1HE   LYS   6          1HE       LYS   6  10.186   2.737   5.525
   40   2HE   LYS   6          2HE       LYS   6  10.244   1.948   3.941
   41   1HZ   LYS   6          1HZ       LYS   6  11.871   0.366   4.864
   42   2HZ   LYS   6          2HZ       LYS   6  11.825   1.060   6.320
   43    H    LEU   7           H        LEU   7  14.599   7.407   1.092
   44    HA   LEU   7           HA       LEU   7  16.594   8.414   3.070
   45   1HB   LEU   7          1HB       LEU   7  16.480   8.597  -0.004
   46   2HB   LEU   7          2HB       LEU   7  17.786   9.232   0.950
   47    HG   LEU   7           HG       LEU   7  18.394   6.973   1.813
   48   1HD1  LEU   7          1HD1      LEU   7  17.519   4.941   0.510
   49   2HD1  LEU   7          2HD1      LEU   7  16.327   5.628   1.611
   50   3HD1  LEU   7          3HD1      LEU   7  16.211   5.942  -0.140
   51   1HD2  LEU   7          1HD2      LEU   7  19.385   6.218  -0.374
   52   2HD2  LEU   7          2HD2      LEU   7  18.268   7.249  -1.274
   53   3HD2  LEU   7          3HD2      LEU   7  19.502   7.975  -0.215
   54    H    CYS   8           H        CYS   8  16.301  10.400   4.121
   55    HA   CYS   8           HA       CYS   8  15.178  12.803   2.730
   56   1HB   CYS   8          1HB       CYS   8  16.755  12.458   5.370
   57   2HB   CYS   8          2HB       CYS   8  16.039  13.972   4.830
   58    H    HIS   9           H        HIS   9  17.041  11.976   0.965
   59    HA   HIS   9           HA       HIS   9  19.489  13.731   1.078
   60   1HB   HIS   9          1HB       HIS   9  19.913  12.963  -1.261
   61   2HB   HIS   9          2HB       HIS   9  19.972  11.749  -0.026
   62    HD2  HIS   9           HD2      HIS   9  19.838   9.933  -2.017
   63    HE1  HIS   9           HE1      HIS   9  15.739  10.337  -2.719
   64    HE2  HIS   9           HE2      HIS   9  17.753   8.825  -3.284
   65    HA   HYP  10           HA       HYP  10  17.068  17.297  -0.449
   66   1HB   HYP  10          1HB       HYP  10  19.098  19.011  -1.222
   67   2HB   HYP  10          2HB       HYP  10  18.687  18.632   0.458
   68   1HD   HYP  10          1HD       HYP  10  20.722  15.361   0.015
   69   2HD   HYP  10          2HD       HYP  10  19.910  16.158   1.398
   70    HOD  HYP  10           HG2      HYP  10  21.547  18.957   0.157
   71    HG   HYP  10           HG       HYP  10  20.870  17.327  -1.259
   72    H    CYS  11           H        CYS  11  15.849  16.940  -2.171
   73    HA   CYS  11           HA       CYS  11  16.970  15.750  -4.689
   74   1HB   CYS  11          1HB       CYS  11  14.140  16.078  -3.490
   75   2HB   CYS  11          2HB       CYS  11  14.452  15.344  -5.070
   76    HXT  CYS  11           HO        OH  12  16.471  18.116  -7.058
  Start of MODEL   12
    1   1H    VAL   1          1H        VAL   1  10.667   7.887   5.044
    2   2H    VAL   1          2H        VAL   1   9.452   6.792   5.143
    3    HA   VAL   1           HA       VAL   1   9.630   7.687   2.932
    4    HB   VAL   1           HB       VAL   1   7.331   8.259   2.486
    5   1HG1  VAL   1          1HG1      VAL   1   8.046   5.852   2.746
    6   2HG1  VAL   1          2HG1      VAL   1   7.540   5.890   4.455
    7   3HG1  VAL   1          3HG1      VAL   1   6.349   6.091   3.158
    8   1HG2  VAL   1          1HG2      VAL   1   5.552   8.283   4.223
    9   2HG2  VAL   1          2HG2      VAL   1   6.769   8.228   5.520
   10   3HG2  VAL   1          3HG2      VAL   1   6.646   9.640   4.449
   11    H    CYS   2           H        CYS   2  10.710   9.256   2.029
   12    HA   CYS   2           HA       CYS   2  10.352  12.176   2.878
   13   1HB   CYS   2          1HB       CYS   2  11.993  10.892   4.415
   14   2HB   CYS   2          2HB       CYS   2  13.062  10.704   3.036
   15    H    CYS   3           H        CYS   3  13.086  10.918   0.959
   16    HA   CYS   3           HA       CYS   3  11.865  12.247  -1.553
   17   1HB   CYS   3          1HB       CYS   3  13.722  13.586  -0.836
   18   2HB   CYS   3          2HB       CYS   3  14.752  12.181  -0.483
   19    H    GLY   4           H        GLY   4  11.062  10.595  -2.729
   20   1HA   GLY   4          1HA       GLY   4  11.469   8.908  -4.534
   21   2HA   GLY   4          2HA       GLY   4  12.999   8.461  -3.824
   22    H    TYR   5           H        TYR   5  12.883   7.307  -1.766
   23    HA   TYR   5           HA       TYR   5  10.180   6.185  -0.954
   24   1HB   TYR   5          1HB       TYR   5  11.263   4.382  -2.256
   25   2HB   TYR   5          2HB       TYR   5  12.676   4.437  -1.236
   26    HD1  TYR   5           HD1      TYR   5  12.757   2.554   0.221
   27    HD2  TYR   5           HD2      TYR   5   8.883   4.232  -0.641
   28    HE1  TYR   5           HE1      TYR   5  11.700   0.869   1.636
   29    HE2  TYR   5           HE2      TYR   5   7.854   2.552   0.823
   30    HH   TYR   5           HH       TYR   5   9.840   0.350   2.754
   31    H    LYS   6           H        LYS   6  12.880   5.189   0.977
   32    HA   LYS   6           HA       LYS   6  11.680   7.000   3.112
   33   1HB   LYS   6          1HB       LYS   6  13.139   4.329   3.322
   34   2HB   LYS   6          2HB       LYS   6  12.773   5.326   4.713
   35   1HG   LYS   6          1HG       LYS   6  10.280   5.308   4.024
   36   2HG   LYS   6          2HG       LYS   6  10.686   4.126   2.793
   37   1HD   LYS   6          1HD       LYS   6  11.596   2.575   4.529
   38   2HD   LYS   6          2HD       LYS   6  11.339   3.762   5.795
   39   1HE   LYS   6          1HE       LYS   6   8.778   3.704   5.233
   40   2HE   LYS   6          2HE       LYS   6   9.116   2.423   4.084
   41   1HZ   LYS   6          1HZ       LYS   6   9.805   2.280   7.007
   42   2HZ   LYS   6          2HZ       LYS   6   8.482   1.625   6.344
   43    H    LEU   7           H        LEU   7  14.982   6.577   1.897
   44    HA   LEU   7           HA       LEU   7  16.272   8.159   3.994
   45   1HB   LEU   7          1HB       LEU   7  17.059   7.913   1.014
   46   2HB   LEU   7          2HB       LEU   7  17.969   8.807   2.189
   47    HG   LEU   7           HG       LEU   7  18.244   6.641   3.573
   48   1HD1  LEU   7          1HD1      LEU   7  18.142   4.502   2.206
   49   2HD1  LEU   7          2HD1      LEU   7  16.526   5.180   2.415
   50   3HD1  LEU   7          3HD1      LEU   7  17.375   5.377   0.868
   51   1HD2  LEU   7          1HD2      LEU   7  20.193   6.006   2.131
   52   2HD2  LEU   7          2HD2      LEU   7  19.478   6.860   0.739
   53   3HD2  LEU   7          3HD2      LEU   7  20.020   7.764   2.161
   54    H    CYS   8           H        CYS   8  16.607  10.281   4.320
   55    HA   CYS   8           HA       CYS   8  15.223  12.409   2.626
   56   1HB   CYS   8          1HB       CYS   8  16.630  12.538   5.380
   57   2HB   CYS   8          2HB       CYS   8  16.131  13.961   4.467
   58    H    HIS   9           H        HIS   9  16.319  13.365   1.102
   59    HA   HIS   9           HA       HIS   9  19.113  14.270   1.404
   60   1HB   HIS   9          1HB       HIS   9  19.846  13.214  -0.914
   61   2HB   HIS   9          2HB       HIS   9  20.061  12.405   0.601
   62    HD2  HIS   9           HD2      HIS   9  20.007   9.910   0.026
   63    HE1  HIS   9           HE1      HIS   9  16.443   9.718  -2.132
   64    HE2  HIS   9           HE2      HIS   9  18.370   8.246  -1.262
   65    HA   HYP  10           HA       HYP  10  17.373  17.718  -0.500
   66   1HB   HYP  10          1HB       HYP  10  19.492  19.165  -1.551
   67   2HB   HYP  10          2HB       HYP  10  19.218  18.842   0.165
   68   1HD   HYP  10          1HD       HYP  10  20.785  15.336  -0.373
   69   2HD   HYP  10          2HD       HYP  10  20.190  16.281   1.029
   70    HOD  HYP  10           HG2      HYP  10  21.809  18.993  -0.307
   71    HG   HYP  10           HG       HYP  10  21.033  17.264  -1.740
   72    H    CYS  11           H        CYS  11  16.125  16.485  -1.980
   73    HA   CYS  11           HA       CYS  11  16.807  16.040  -4.743
   74   1HB   CYS  11          1HB       CYS  11  14.185  15.773  -3.132
   75   2HB   CYS  11          2HB       CYS  11  14.455  15.102  -4.748
   76    HXT  CYS  11           HO        OH  12  15.924  18.756  -6.554
  Start of MODEL   13
    1   1H    VAL   1          1H        VAL   1   9.136   8.666   5.745
    2   2H    VAL   1          2H        VAL   1   8.110   7.457   5.382
    3    HA   VAL   1           HA       VAL   1   9.622   7.771   3.633
    4    HB   VAL   1           HB       VAL   1   8.095   8.098   1.688
    5   1HG1  VAL   1          1HG1      VAL   1   8.404   5.855   2.695
    6   2HG1  VAL   1          2HG1      VAL   1   7.044   6.138   3.805
    7   3HG1  VAL   1          3HG1      VAL   1   6.766   6.043   2.050
    8   1HG2  VAL   1          1HG2      VAL   1   5.651   8.316   1.952
    9   2HG2  VAL   1          2HG2      VAL   1   5.804   8.518   3.711
   10   3HG2  VAL   1          3HG2      VAL   1   6.438   9.760   2.605
   11    H    CYS   2           H        CYS   2  10.700   8.992   2.168
   12    HA   CYS   2           HA       CYS   2  10.673  12.039   2.630
   13   1HB   CYS   2          1HB       CYS   2  12.285  10.446   4.118
   14   2HB   CYS   2          2HB       CYS   2  13.290  10.441   2.675
   15    H    CYS   3           H        CYS   3  13.377  11.529   0.831
   16    HA   CYS   3           HA       CYS   3  11.912  12.256  -1.739
   17   1HB   CYS   3          1HB       CYS   3  13.728  13.706  -1.152
   18   2HB   CYS   3          2HB       CYS   3  14.867  12.361  -0.897
   19    H    GLY   4           H        GLY   4  11.043  10.404  -2.580
   20   1HA   GLY   4          1HA       GLY   4  11.498   8.629  -4.368
   21   2HA   GLY   4          2HA       GLY   4  12.982   8.180  -3.578
   22    H    TYR   5           H        TYR   5  12.761   7.198  -1.422
   23    HA   TYR   5           HA       TYR   5  10.028   6.134  -0.711
   24   1HB   TYR   5          1HB       TYR   5  11.070   4.250  -1.906
   25   2HB   TYR   5          2HB       TYR   5  12.456   4.288  -0.851
   26    HD1  TYR   5           HD1      TYR   5  12.253   2.020  -0.087
   27    HD2  TYR   5           HD2      TYR   5   8.844   4.611   0.390
   28    HE1  TYR   5           HE1      TYR   5  11.110   0.307   1.249
   29    HE2  TYR   5           HE2      TYR   5   7.743   2.904   1.744
   30    HH   TYR   5           HH       TYR   5   8.896  -0.341   1.830
   31    H    LYS   6           H        LYS   6  12.959   5.327   1.142
   32    HA   LYS   6           HA       LYS   6  11.810   7.142   3.346
   33   1HB   LYS   6          1HB       LYS   6  13.276   4.462   3.576
   34   2HB   LYS   6          2HB       LYS   6  12.862   5.498   4.930
   35   1HG   LYS   6          1HG       LYS   6  10.380   5.388   4.212
   36   2HG   LYS   6          2HG       LYS   6  10.839   4.150   3.041
   37   1HD   LYS   6          1HD       LYS   6  11.800   2.748   4.931
   38   2HD   LYS   6          2HD       LYS   6  11.370   4.026   6.074
   39   1HE   LYS   6          1HE       LYS   6   8.882   3.735   5.347
   40   2HE   LYS   6          2HE       LYS   6   9.389   2.338   4.384
   41   1HZ   LYS   6          1HZ       LYS   6  10.554   1.673   6.632
   42   2HZ   LYS   6          2HZ       LYS   6   9.591   2.739   7.318
   43    H    LEU   7           H        LEU   7  14.999   6.463   1.936
   44    HA   LEU   7           HA       LEU   7  16.595   7.965   3.887
   45   1HB   LEU   7          1HB       LEU   7  17.021   7.472   0.871
   46   2HB   LEU   7          2HB       LEU   7  18.133   8.406   1.829
   47    HG   LEU   7           HG       LEU   7  18.579   6.424   3.332
   48   1HD1  LEU   7          1HD1      LEU   7  18.052   4.133   2.328
   49   2HD1  LEU   7          2HD1      LEU   7  16.582   4.988   2.833
   50   3HD1  LEU   7          3HD1      LEU   7  17.024   4.911   1.112
   51   1HD2  LEU   7          1HD2      LEU   7  20.106   5.379   1.618
   52   2HD2  LEU   7          2HD2      LEU   7  19.170   6.116   0.298
   53   3HD2  LEU   7          3HD2      LEU   7  20.087   7.140   1.420
   54    H    CYS   8           H        CYS   8  16.617  10.098   4.382
   55    HA   CYS   8           HA       CYS   8  15.389  12.189   2.620
   56   1HB   CYS   8          1HB       CYS   8  16.790  12.321   5.369
   57   2HB   CYS   8          2HB       CYS   8  16.198  13.744   4.514
   58    H    HIS   9           H        HIS   9  16.325  13.347   1.162
   59    HA   HIS   9           HA       HIS   9  19.113  14.317   1.304
   60   1HB   HIS   9          1HB       HIS   9  19.674  13.338  -1.126
   61   2HB   HIS   9          2HB       HIS   9  20.078  12.539   0.354
   62    HD2  HIS   9           HD2      HIS   9  19.659  10.032   0.360
   63    HE1  HIS   9           HE1      HIS   9  16.521   9.752  -2.359
   64    HE2  HIS   9           HE2      HIS   9  18.157   8.317  -1.019
   65    HA   HYP  10           HA       HYP  10  17.334  17.806  -0.536
   66   1HB   HYP  10          1HB       HYP  10  19.457  19.246  -1.513
   67   2HB   HYP  10          2HB       HYP  10  19.237  18.823   0.192
   68   1HD   HYP  10          1HD       HYP  10  20.705  15.349  -0.628
   69   2HD   HYP  10          2HD       HYP  10  20.236  16.209   0.873
   70    HOD  HYP  10           HG2      HYP  10  21.721  19.017  -0.351
   71    HG   HYP  10           HG       HYP  10  20.948  17.338  -1.868
   72    H    CYS  11           H        CYS  11  16.201  16.366  -2.094
   73    HA   CYS  11           HA       CYS  11  16.753  16.459  -4.935
   74   1HB   CYS  11          1HB       CYS  11  14.147  15.839  -3.374
   75   2HB   CYS  11          2HB       CYS  11  14.453  15.400  -5.057
   76    HXT  CYS  11           HO        OH  12  14.887  18.848  -6.541
  Start of MODEL   14
    1   1H    VAL   1          1H        VAL   1   7.567   6.907   3.859
    2   2H    VAL   1          2H        VAL   1   7.198   8.416   4.329
    3    HA   VAL   1           HA       VAL   1   9.574   7.665   2.775
    4    HB   VAL   1           HB       VAL   1   8.495   8.768   0.811
    5   1HG1  VAL   1          1HG1      VAL   1   8.557   6.265   1.042
    6   2HG1  VAL   1          2HG1      VAL   1   6.937   6.296   1.780
    7   3HG1  VAL   1          3HG1      VAL   1   7.172   6.842   0.100
    8   1HG2  VAL   1          1HG2      VAL   1   6.045   9.067   0.635
    9   2HG2  VAL   1          2HG2      VAL   1   5.819   8.622   2.346
   10   3HG2  VAL   1          3HG2      VAL   1   6.680  10.118   1.913
   11    H    CYS   2           H        CYS   2  10.858   9.294   1.957
   12    HA   CYS   2           HA       CYS   2  10.575  12.104   3.169
   13   1HB   CYS   2          1HB       CYS   2  12.182  10.651   4.532
   14   2HB   CYS   2          2HB       CYS   2  13.236  10.548   3.121
   15    H    CYS   3           H        CYS   3  13.199  10.898   1.062
   16    HA   CYS   3           HA       CYS   3  11.770  12.134  -1.350
   17   1HB   CYS   3          1HB       CYS   3  13.667  13.583  -0.971
   18   2HB   CYS   3          2HB       CYS   3  14.776  12.228  -0.684
   19    H    GLY   4           H        GLY   4  11.620  10.872  -3.083
   20   1HA   GLY   4          1HA       GLY   4  11.516   8.850  -4.396
   21   2HA   GLY   4          2HA       GLY   4  13.052   8.411  -3.690
   22    H    TYR   5           H        TYR   5  12.989   7.231  -1.751
   23    HA   TYR   5           HA       TYR   5  10.364   5.941  -0.857
   24   1HB   TYR   5          1HB       TYR   5  11.761   4.209  -1.991
   25   2HB   TYR   5          2HB       TYR   5  13.104   4.544  -0.942
   26    HD1  TYR   5           HD1      TYR   5  13.341   3.094   0.955
   27    HD2  TYR   5           HD2      TYR   5   9.408   3.607  -0.709
   28    HE1  TYR   5           HE1      TYR   5  12.486   1.338   2.426
   29    HE2  TYR   5           HE2      TYR   5   8.565   1.831   0.764
   30    HH   TYR   5           HH       TYR   5  10.717   0.126   3.054
   31    H    LYS   6           H        LYS   6  12.855   5.270   1.260
   32    HA   LYS   6           HA       LYS   6  11.837   7.423   3.165
   33   1HB   LYS   6          1HB       LYS   6  13.334   4.770   3.621
   34   2HB   LYS   6          2HB       LYS   6  12.857   5.875   4.896
   35   1HG   LYS   6          1HG       LYS   6  10.429   5.658   4.264
   36   2HG   LYS   6          2HG       LYS   6  10.847   4.497   3.006
   37   1HD   LYS   6          1HD       LYS   6  11.872   2.964   4.718
   38   2HD   LYS   6          2HD       LYS   6  11.537   4.150   5.991
   39   1HE   LYS   6          1HE       LYS   6   9.043   3.983   5.493
   40   2HE   LYS   6          2HE       LYS   6   9.377   2.764   4.254
   41   1HZ   LYS   6          1HZ       LYS   6  10.306   1.306   5.946
   42   2HZ   LYS   6          2HZ       LYS   6  10.277   2.468   7.087
   43    H    LEU   7           H        LEU   7  14.707   7.183   1.417
   44    HA   LEU   7           HA       LEU   7  16.609   8.258   3.443
   45   1HB   LEU   7          1HB       LEU   7  16.718   8.207   0.354
   46   2HB   LEU   7          2HB       LEU   7  17.984   8.846   1.362
   47    HG   LEU   7           HG       LEU   7  18.192   6.528   2.491
   48   1HD1  LEU   7          1HD1      LEU   7  17.514   4.568   0.985
   49   2HD1  LEU   7          2HD1      LEU   7  16.107   5.379   1.673
   50   3HD1  LEU   7          3HD1      LEU   7  16.562   5.679  -0.023
   51   1HD2  LEU   7          1HD2      LEU   7  19.655   5.724   0.612
   52   2HD2  LEU   7          2HD2      LEU   7  18.867   6.854  -0.505
   53   3HD2  LEU   7          3HD2      LEU   7  19.838   7.470   0.852
   54    H    CYS   8           H        CYS   8  16.829  10.338   4.127
   55    HA   CYS   8           HA       CYS   8  15.490  12.656   2.656
   56   1HB   CYS   8          1HB       CYS   8  17.023  12.488   5.334
   57   2HB   CYS   8          2HB       CYS   8  16.365  13.969   4.648
   58    H    HIS   9           H        HIS   9  17.054  11.827   0.852
   59    HA   HIS   9           HA       HIS   9  19.586  13.489   0.762
   60   1HB   HIS   9          1HB       HIS   9  19.747  12.694  -1.664
   61   2HB   HIS   9          2HB       HIS   9  20.155  11.630  -0.357
   62    HD2  HIS   9           HD2      HIS   9  19.872   9.356  -1.572
   63    HE1  HIS   9           HE1      HIS   9  15.763   9.563  -2.264
   64    HE2  HIS   9           HE2      HIS   9  17.750   7.923  -2.331
   65    HA   HYP  10           HA       HYP  10  16.911  16.914  -0.138
   66   1HB   HYP  10          1HB       HYP  10  18.710  18.942  -0.635
   67   2HB   HYP  10          2HB       HYP  10  18.560  18.111   0.921
   68   1HD   HYP  10          1HD       HYP  10  20.724  15.244  -0.455
   69   2HD   HYP  10          2HD       HYP  10  20.014  15.707   1.120
   70    HOD  HYP  10           HG2      HYP  10  21.051  18.874   0.572
   71    HG   HYP  10           HG       HYP  10  20.539  17.452  -1.342
   72    H    CYS  11           H        CYS  11  15.801  16.029  -1.923
   73    HA   CYS  11           HA       CYS  11  16.757  16.138  -4.659
   74   1HB   CYS  11          1HB       CYS  11  13.984  15.474  -3.477
   75   2HB   CYS  11          2HB       CYS  11  14.510  15.090  -5.122
   76    HXT  CYS  11           HO        OH  12  15.814  19.194  -5.821
  Start of MODEL   15
    1   1H    VAL   1          1H        VAL   1   7.726   6.666   3.655
    2   2H    VAL   1          2H        VAL   1   7.001   8.123   3.628
    3    HA   VAL   1           HA       VAL   1   9.771   7.510   2.869
    4    HB   VAL   1           HB       VAL   1   9.145   8.188   0.564
    5   1HG1  VAL   1          1HG1      VAL   1   9.198   5.735   1.307
    6   2HG1  VAL   1          2HG1      VAL   1   7.436   5.802   1.473
    7   3HG1  VAL   1          3HG1      VAL   1   8.185   6.075  -0.114
    8   1HG2  VAL   1          1HG2      VAL   1   6.788   8.194  -0.233
    9   2HG2  VAL   1          2HG2      VAL   1   6.185   8.065   1.438
   10   3HG2  VAL   1          3HG2      VAL   1   7.057   9.519   0.907
   11    H    CYS   2           H        CYS   2  11.119   9.143   2.260
   12    HA   CYS   2           HA       CYS   2  10.450  11.961   3.327
   13   1HB   CYS   2          1HB       CYS   2  12.161  10.678   4.656
   14   2HB   CYS   2          2HB       CYS   2  13.187  10.553   3.229
   15    H    CYS   3           H        CYS   3  12.872  10.675   0.965
   16    HA   CYS   3           HA       CYS   3  11.307  12.075  -1.236
   17   1HB   CYS   3          1HB       CYS   3  13.139  13.625  -0.701
   18   2HB   CYS   3          2HB       CYS   3  14.353  12.340  -0.908
   19    H    GLY   4           H        GLY   4  10.632  10.553  -2.476
   20   1HA   GLY   4          1HA       GLY   4  10.747   8.717  -4.120
   21   2HA   GLY   4          2HA       GLY   4  12.434   8.464  -3.749
   22    H    TYR   5           H        TYR   5  12.832   7.459  -1.686
   23    HA   TYR   5           HA       TYR   5  10.640   5.652  -0.574
   24   1HB   TYR   5          1HB       TYR   5  12.061   4.234  -2.018
   25   2HB   TYR   5          2HB       TYR   5  13.516   4.774  -1.221
   26    HD1  TYR   5           HD1      TYR   5  14.419   3.319   0.397
   27    HD2  TYR   5           HD2      TYR   5  10.158   3.183  -0.239
   28    HE1  TYR   5           HE1      TYR   5  14.215   1.589   2.099
   29    HE2  TYR   5           HE2      TYR   5   9.979   1.426   1.474
   30    HH   TYR   5           HH       TYR   5  12.828   0.405   3.355
   31    H    LYS   6           H        LYS   6  12.711   4.891   1.556
   32    HA   LYS   6           HA       LYS   6  11.964   7.091   3.453
   33   1HB   LYS   6          1HB       LYS   6  13.565   4.478   3.779
   34   2HB   LYS   6          2HB       LYS   6  13.076   5.526   5.090
   35   1HG   LYS   6          1HG       LYS   6  10.639   5.168   4.581
   36   2HG   LYS   6          2HG       LYS   6  11.057   4.100   3.237
   37   1HD   LYS   6          1HD       LYS   6  12.315   2.576   4.806
   38   2HD   LYS   6          2HD       LYS   6  11.942   3.665   6.148
   39   1HE   LYS   6          1HE       LYS   6   9.417   3.282   5.633
   40   2HE   LYS   6          2HE       LYS   6   9.910   2.009   4.496
   41   1HZ   LYS   6          1HZ       LYS   6  11.060   0.882   6.293
   42   2HZ   LYS   6          2HZ       LYS   6  10.855   2.118   7.328
   43    H    LEU   7           H        LEU   7  13.667   8.101   1.625
   44    HA   LEU   7           HA       LEU   7  16.460   8.391   2.833
   45   1HB   LEU   7          1HB       LEU   7  15.347   8.558  -0.031
   46   2HB   LEU   7          2HB       LEU   7  17.018   8.811   0.356
   47    HG   LEU   7           HG       LEU   7  15.691   6.148   1.140
   48   1HD1  LEU   7          1HD1      LEU   7  16.380   5.215  -1.039
   49   2HD1  LEU   7          2HD1      LEU   7  15.254   6.557  -1.313
   50   3HD1  LEU   7          3HD1      LEU   7  16.996   6.800  -1.568
   51   1HD2  LEU   7          1HD2      LEU   7  18.060   5.311   0.930
   52   2HD2  LEU   7          2HD2      LEU   7  18.609   6.934   0.463
   53   3HD2  LEU   7          3HD2      LEU   7  17.980   6.644   2.096
   54    H    CYS   8           H        CYS   8  16.563  10.306   3.970
   55    HA   CYS   8           HA       CYS   8  15.569  12.906   2.715
   56   1HB   CYS   8          1HB       CYS   8  16.979  12.332   5.394
   57   2HB   CYS   8          2HB       CYS   8  16.456  13.920   4.839
   58    H    HIS   9           H        HIS   9  17.106  12.041   0.923
   59    HA   HIS   9           HA       HIS   9  19.692  13.663   0.935
   60   1HB   HIS   9          1HB       HIS   9  19.912  12.939  -1.464
   61   2HB   HIS   9          2HB       HIS   9  20.070  11.691  -0.268
   62    HD2  HIS   9           HD2      HIS   9  19.362   9.532  -1.518
   63    HE1  HIS   9           HE1      HIS   9  15.563  10.675  -2.774
   64    HE2  HIS   9           HE2      HIS   9  17.205   8.688  -2.828
   65    HA   HYP  10           HA       HYP  10  17.217  17.213  -0.275
   66   1HB   HYP  10          1HB       HYP  10  19.057  18.951  -1.345
   67   2HB   HYP  10          2HB       HYP  10  18.963  18.448   0.350
   68   1HD   HYP  10          1HD       HYP  10  20.868  15.225  -0.652
   69   2HD   HYP  10          2HD       HYP  10  20.378  15.974   0.900
   70    HOD  HYP  10           HG2      HYP  10  20.950  18.806   0.427
   71    HG   HYP  10           HG       HYP  10  20.765  17.268  -1.836
   72    H    CYS  11           H        CYS  11  15.684  16.750  -1.690
   73    HA   CYS  11           HA       CYS  11  16.157  16.310  -4.643
   74   1HB   CYS  11          1HB       CYS  11  13.700  16.178  -2.784
   75   2HB   CYS  11          2HB       CYS  11  13.611  15.922  -4.525
   76    HXT  CYS  11           HO        OH  12  14.416  19.875  -3.917