*HEADER    TOXIN                                   26-SEP-06   2IH6              
*TITLE     PRO6 VARIANT OF CMRVIA 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 SOLID               
*SOURCE   4 PHASE PEPTIDE SYNTHESIS.                                             
*KEYWDS    CONOTOXIN, DISULFIDE LINKAGE, NMR                                     
*EXPDTA    NMR, 16 STRUCTURES                                                    
*AUTHOR    R.M.KINI, T.S.KANG                                                    
*REVDAT   1   14-AUG-07 2IH6    0                                                

!BIOSYM restraint 1
!
#distance
1:TYR_5:HB1        1:TYR_5:HB2         1.900  3.100  1.00  1.00 1000.000
1:PRO_10:HB*       1:PRO_10:HD*        1.900  3.100  1.00  1.00 1000.000
1:PRO_6:HD2        1:PRO_6:HB1         1.900  3.100  1.00  1.00 1000.000
1:GLY_4:HA1        1:GLY_4:HA2         1.900  3.100  1.00  1.00 1000.000
1:PRO_6:HG1        1:PRO_6:HB*         1.900  3.100  1.00  1.00 1000.000
1:VALn_1:HG2*      1:VALn_1:HB         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:VALn_1:HG1*      1:VALn_1:HB         1.900  3.100  1.00  1.00 1000.000
1:LEU_7:HD12,HD11  1:LEU_7:HG          1.900  3.100  1.00  1.00 1000.000
1:TYR_5:HB2        1:TYR_5:HD*         1.900  3.100  1.00  1.00 1000.000
1:PRO_6:HB2        1:PRO_6:HD1         1.900  3.100  1.00  1.00 1000.000
1:PRO_6:HG2        1:PRO_6:HD2         1.900  3.100  1.00  1.00 1000.000
1:LEU_7:HD2*       1:LEU_7:HG          1.900  3.100  1.00  1.00 1000.000
1:PRO_6:HB2        1:TYR_5:HD*         1.900  3.100  1.00  1.00 1000.000
1:PRO_10:HD*       1:PRO_10:HA         1.900  3.100  1.00  1.00 1000.000
1:PRO_6:HB1        1:TYR_5:HE*         1.900  3.100  1.00  1.00 1000.000
1:PRO_6:HG2        1:PRO_6:HB2         1.900  3.100  1.00  1.00 1000.000
1:LEU_7:HD2*       1:LEU_7:HA          1.900  3.100  1.00  1.00 1000.000
1:VALn_1:HA        1:VALn_1:HB         1.900  3.100  1.00  1.00 1000.000
1:GLY_4:HA2        1:GLY_4:HN          1.900  3.100  1.00  1.00 1000.000
1:LEU_7:HB2        1:LEU_7:HA          1.900  3.100  1.00  1.00 1000.000
1:PRO_10:HA        1:PRO_10:HG         1.900  3.100  1.00  1.00 1000.000
1:TYR_5:HB1        1:TYR_5:HN          1.900  3.100  1.00  1.00 1000.000
1:PRO_6:HD1        1:PRO_6:HG1         1.900  3.100  1.00  1.00 1000.000
1:PRO_6:HG2        1:PRO_6:HG1         1.900  3.100  1.00  1.00 1000.000
1:LEU_7:HB1        1:LEU_7:HA          1.900  3.800  1.00  1.00 1000.000
1:HIS_9:HD2        1:HIS_9:HB*         1.900  3.800  1.00  1.00 1000.000
1:LEU_7:HD12,HD11  1:LEU_7:HB*         1.900  3.800  1.00  1.00 1000.000
1:PRO_6:HA         1:TYR_5:HN          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:PRO_6:HD1        1:PRO_6:HB1         1.900  3.800  1.00  1.00 1000.000
1:VALn_1:HG2*      1:VALn_1:HA         1.900  3.800  1.00  1.00 1000.000
1:PRO_6:HB2        1:PRO_6:HD2         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:PRO_10:HG        1:HIS_9:HB2         1.900  3.800  1.00  1.00 1000.000
1:PRO_6:HA         1:LEU_7:HN          1.900  3.800  1.00  1.00 1000.000
1:PRO_6:HD2        1:PRO_6:HG1         1.900  3.800  1.00  1.00 1000.000
1:LEU_7:HB1        1:LEU_7:HN          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:HIS_9:HA         1:HIS_9:HN          1.900  3.800  1.00  1.00 1000.000
1:HIS_9:HB*        1:PRO_10:HG         1.900  3.800  1.00  1.00 1000.000
1:VALn_1:HB        1:TYR_5:HD*         1.900  3.800  1.00  1.00 1000.000
1:TYR_5:HB2        1:TYR_5:HN          1.900  3.800  1.00  1.00 1000.000
1:PRO_6:HG1        1:VALn_1:HB         1.900  3.800  1.00  1.00 1000.000
1:GLY_4:HA2        1:TYR_5:HN          1.900  3.800  1.00  1.00 1000.000
1:LEU_7:HD12,HD11  1:LEU_7:HA          1.900  3.800  1.00  1.00 1000.000
1:LEU_7:HD2*       1:LEU_7:HB*         1.900  3.800  1.00  1.00 1000.000
1:PRO_6:HG1        1:LEU_7:HN          1.900  3.800  1.00  1.00 1000.000
1:LEU_7:HB2        1:LEU_7:HN          1.900  5.000  1.00  1.00 1000.000
1:GLY_4:HN         1:TYR_5:HD*         1.900  5.000  1.00  1.00 1000.000
1:PRO_10:HG        1:HIS_9:HA          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:LEU_7:HN          1.900  5.000  1.00  1.00 1000.000
1:PRO_6:HB2        1:PRO_6:HG1         1.900  5.000  1.00  1.00 1000.000
1:PRO_6:HD2        1:TYR_5:HE*         1.900  5.000  1.00  1.00 1000.000
1:VALn_1:HG1*      1:PRO_6:HG1         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:PRO_6:HG2        1:LEU_7:HN          1.900  5.000  1.00  1.00 1000.000
1:LEU_7:HD2*       1:TYR_5:HD*         1.900  5.000  1.00  1.00 1000.000
1:LEU_7:HD12,HD11  1:TYR_5:HD*         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:VALn_1:HG2*      1:PRO_6:HG1         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:LEU_7:HD2*       1:TYR_5:HE*         1.900  5.000  1.00  1.00 1000.000
1:PRO_6:HD2        1:TYR_5:HD*         1.900  5.000  1.00  1.00 1000.000
1:LEU_7:HG         1:TYR_5:HE*         1.900  5.000  1.00  1.00 1000.000
1:GLY_4:HA2        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:VALn_1:HB        1:TYR_5:HE*         1.900  5.000  1.00  1.00 1000.000
1:PRO_6:HB1        1:PRO_6:HG1         1.900  5.000  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_11:HB1       1:CYS_11:HB2        1.900  3.100  1.00  1.00 1000.000
1:CYS_2:HB2        1:CYS_2: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_8:HA         1:HIS_9:HN          1.900  3.100  1.00  1.00 1000.000
1:LEU_7:HA         1:CYS_8:HN          1.900  3.100  1.00  1.00 1000.000
1:PRO_10:HA        1:CYS_11:HN         1.900  3.100  1.00  1.00 1000.000
1:CYS_8:HB1        1:CYS_8:HA          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_3:HA         1:GLY_4: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: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  3.100  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:HB1        1:CYS_2:HA          1.900  3.100  1.00  1.00 1000.000
1:CYS_2:HB2        1:CYS_2:HA          1.900  3.100  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_8:HA         1:CYS_8:HN          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_11:HB2       1:CYS_11:HN         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_3:HB2        1:CYS_11:HA         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_2:HB1        1:CYS_8:HA          1.900  3.800  1.00  1.00 1000.000
1:CYS_11:HB2       1:CYS_11:HA         1.900  3.800  1.00  1.00 1000.000
1:CYS_2:HB1        1:CYS_2:HN          1.900  3.800  1.00  1.00 1000.000
1:CYS_3:HB1        1:CYS_11: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_3:HN         1:CYS_3:HA          1.900  3.800  1.00  1.00 1000.000
1:CYS_2:HA         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_8:HB2        1:CYS_8:HA          1.900  3.800  1.00  1.00 1000.000
1:VALn_1:HG1*      1:CYS_8:HB2         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_3:HB1        1:GLY_4:HN          1.900  3.800  1.00  1.00 1000.000
1:HIS_9:HE1        1:CYS_11:HA         1.900  3.800  1.00  1.00 1000.000
1:CYS_8:HN         1:LEU_7:HN          1.900  3.800  1.00  1.00 1000.000
1:VALn_1:HG1*      1:CYS_2:HN          1.900  3.800  1.00  1.00 1000.000
1:VALn_1:HG2*      1:CYS_2:HN          1.900  3.800  1.00  1.00 1000.000
1:LEU_7:HB2        1:CYS_8:HN          1.900  3.800  1.00  1.00 1000.000



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   VAL   1           1H       VAL   1  13.100  10.116  -6.846
    2    H2   VAL   1           2H       VAL   1  14.270   9.077  -6.391
    3    HA   VAL   1           HA       VAL   1  12.117   8.292  -5.699
    4    HB   VAL   1           HB       VAL   1  14.264   8.891  -3.587
    5   HG11  VAL   1          1HG1      VAL   1  12.325   8.567  -2.152
    6   HG12  VAL   1          2HG1      VAL   1  11.715   7.209  -3.131
    7   HG13  VAL   1          3HG1      VAL   1  13.200   7.055  -2.162
    8   HG21  VAL   1          3HG2      VAL   1  13.406   6.289  -5.033
    9   HG22  VAL   1          1HG2      VAL   1  14.840   7.265  -5.429
   10   HG23  VAL   1          2HG2      VAL   1  14.729   6.443  -3.868
   11    H    CYS   2           H        CYS   2  12.689  10.787  -3.334
   12    HA   CYS   2           HA       CYS   2   9.711  11.561  -3.418
   13    HB2  CYS   2           1HB      CYS   2   9.787  11.057  -1.011
   14    HB3  CYS   2           2HB      CYS   2  10.485   9.680  -1.830
   15    H    CYS   3           H        CYS   3   9.828  13.060  -0.982
   16    HA   CYS   3           HA       CYS   3  12.090  15.079  -1.297
   17    HB2  CYS   3           1HB      CYS   3   9.900  16.243  -1.851
   18    HB3  CYS   3           2HB      CYS   3   9.291  15.858  -0.247
   19    H    GLY   4           H        GLY   4  13.254  13.559   0.056
   20    HA2  GLY   4           1HA      GLY   4  13.868  14.272   2.652
   21    HA3  GLY   4           2HA      GLY   4  12.405  13.370   3.007
   22    H    TYR   5           H        TYR   5  15.226  12.558   0.939
   23    HA   TYR   5           HA       TYR   5  16.081  10.344   2.595
   24    HB2  TYR   5           1HB      TYR   5  14.105   9.156   2.152
   25    HB3  TYR   5           2HB      TYR   5  13.908   9.694   0.551
   26    HD1  TYR   5           HD2      TYR   5  15.506   8.745  -1.343
   27    HD2  TYR   5           HD1      TYR   5  15.096   6.998   2.562
   28    HE1  TYR   5           HE2      TYR   5  16.268   6.554  -2.208
   29    HE2  TYR   5           HE1      TYR   5  15.921   4.856   1.673
   30    HH   TYR   5           HH       TYR   5  16.792   3.788  -0.136
   31    HA   PRO   6           HA       PRO   6  19.964  10.750   0.315
   32    HB2  PRO   6           1HB      PRO   6  20.292   7.998  -0.592
   33    HB3  PRO   6           2HB      PRO   6  20.828   8.721   0.934
   34    HG2  PRO   6           1HG      PRO   6  18.166   7.331   0.339
   35    HG3  PRO   6           2HG      PRO   6  19.324   6.963   1.664
   36    HD2  PRO   6           1HD      PRO   6  17.315   8.507   2.345
   37    HD3  PRO   6           2HD      PRO   6  18.904   9.195   2.706
   38    H    LEU   7           H        LEU   7  18.011   8.602  -1.757
   39    HA   LEU   7           HA       LEU   7  19.060   9.770  -4.283
   40    HB2  LEU   7           1HB      LEU   7  16.698   7.909  -3.734
   41    HB3  LEU   7           2HB      LEU   7  17.229   8.337  -5.321
   42    HG   LEU   7           HG       LEU   7  19.336   7.209  -5.169
   43   HD11  LEU   7          1HD1      LEU   7  20.057   7.378  -2.820
   44   HD12  LEU   7          2HD1      LEU   7  18.675   6.398  -2.254
   45   HD13  LEU   7          3HD1      LEU   7  19.952   5.682  -3.259
   46   HD21  LEU   7          3HD2      LEU   7  18.445   4.889  -5.047
   47   HD22  LEU   7          1HD2      LEU   7  17.051   5.422  -4.084
   48   HD23  LEU   7          2HD2      LEU   7  17.218   5.948  -5.775
   49    H    CYS   8           H        CYS   8  16.659  11.147  -2.313
   50    HA   CYS   8           HA       CYS   8  14.447  11.443  -4.143
   51    HB2  CYS   8           1HB      CYS   8  15.146  12.807  -1.492
   52    HB3  CYS   8           2HB      CYS   8  13.609  13.019  -2.311
   53    H    HIS   9           H        HIS   9  13.450  13.125  -5.165
   54    HA   HIS   9           HA       HIS   9  15.335  14.854  -6.691
   55    HB2  HIS   9           1HB      HIS   9  13.460  15.263  -8.209
   56    HB3  HIS   9           2HB      HIS   9  13.697  13.583  -7.934
   57    HD2  HIS   9           HD2      HIS   9  11.645  12.239  -6.615
   58    HE1  HIS   9           HE1      HIS   9   8.902  15.380  -6.713
   59    HE2  HIS   9           HE2      HIS   9   9.090  12.900  -6.138
   60    HA   HYP  10           HA       HYP  10  14.652  18.997  -4.924
   61    HB2  HYP  10           1HB      HYP  10  14.073  20.532  -7.259
   62    HB3  HYP  10           2HB      HYP  10  15.657  20.114  -6.601
   63    HG   HYP  10           HG       HYP  10  14.062  18.586  -8.733
   64   HD22  HYP  10          1HD       HYP  10  15.210  16.592  -8.181
   65   HD23  HYP  10          2HD       HYP  10  16.403  17.423  -7.146
   66    HD1  HYP  10           HG2      HYP  10  15.599  19.632  -9.730
   67    H    CYS  11           H        CYS  11  13.044  19.746  -3.772
   68    HA   CYS  11           HA       CYS  11  10.261  18.798  -4.155
   69    HB2  CYS  11           1HB      CYS  11  11.426  20.654  -1.968
   70    HB3  CYS  11           2HB      CYS  11   9.983  19.637  -1.867
   71    HXT  CYS  11           HO        OH  12   8.308  21.581  -4.722
  Start of MODEL    2
    1    H1   VAL   1           1H       VAL   1  13.386  10.377  -6.846
    2    H2   VAL   1           2H       VAL   1  14.562   9.340  -6.413
    3    HA   VAL   1           HA       VAL   1  12.407   8.452  -5.898
    4    HB   VAL   1           HB       VAL   1  14.479   8.945  -3.686
    5   HG11  VAL   1          1HG1      VAL   1  12.523   8.584  -2.290
    6   HG12  VAL   1          2HG1      VAL   1  11.934   7.249  -3.305
    7   HG13  VAL   1          3HG1      VAL   1  13.411   7.076  -2.336
    8   HG21  VAL   1          3HG2      VAL   1  13.638   6.422  -5.277
    9   HG22  VAL   1          1HG2      VAL   1  15.086   7.410  -5.581
   10   HG23  VAL   1          2HG2      VAL   1  14.933   6.499  -4.072
   11    H    CYS   2           H        CYS   2  12.850  10.939  -3.439
   12    HA   CYS   2           HA       CYS   2   9.849  11.574  -3.560
   13    HB2  CYS   2           1HB      CYS   2   9.813  10.969  -1.173
   14    HB3  CYS   2           2HB      CYS   2  10.584   9.638  -2.012
   15    H    CYS   3           H        CYS   3   9.709  13.000  -1.116
   16    HA   CYS   3           HA       CYS   3  11.992  15.027  -1.141
   17    HB2  CYS   3           1HB      CYS   3   9.835  16.197  -1.790
   18    HB3  CYS   3           2HB      CYS   3   9.123  15.723  -0.245
   19    H    GLY   4           H        GLY   4  13.033  13.387   0.130
   20    HA2  GLY   4           1HA      GLY   4  13.415  13.847   2.897
   21    HA3  GLY   4           2HA      GLY   4  11.990  12.827   2.934
   22    H    TYR   5           H        TYR   5  14.967  12.328   0.983
   23    HA   TYR   5           HA       TYR   5  15.868  10.053   2.564
   24    HB2  TYR   5           1HB      TYR   5  14.037   8.798   1.906
   25    HB3  TYR   5           2HB      TYR   5  13.860   9.454   0.359
   26    HD1  TYR   5           HD2      TYR   5  15.685   8.801  -1.505
   27    HD2  TYR   5           HD1      TYR   5  15.022   6.635   2.143
   28    HE1  TYR   5           HE2      TYR   5  16.604   6.745  -2.526
   29    HE2  TYR   5           HE1      TYR   5  15.968   4.602   1.089
   30    HH   TYR   5           HH       TYR   5  16.960   3.717  -0.746
   31    HA   PRO   6           HA       PRO   6  19.854  10.778   0.517
   32    HB2  PRO   6           1HB      PRO   6  20.333   8.129  -0.612
   33    HB3  PRO   6           2HB      PRO   6  20.800   8.756   0.981
   34    HG2  PRO   6           1HG      PRO   6  18.236   7.284   0.214
   35    HG3  PRO   6           2HG      PRO   6  19.362   6.895   1.555
   36    HD2  PRO   6           1HD      PRO   6  17.222   8.279   2.228
   37    HD3  PRO   6           2HD      PRO   6  18.754   9.016   2.727
   38    H    LEU   7           H        LEU   7  18.224   8.681  -1.883
   39    HA   LEU   7           HA       LEU   7  19.249  10.178  -4.203
   40    HB2  LEU   7           1HB      LEU   7  16.916   8.210  -3.975
   41    HB3  LEU   7           2HB      LEU   7  17.512   8.814  -5.475
   42    HG   LEU   7           HG       LEU   7  19.634   7.720  -5.350
   43   HD11  LEU   7          1HD1      LEU   7  20.248   7.650  -2.967
   44   HD12  LEU   7          2HD1      LEU   7  18.867   6.599  -2.571
   45   HD13  LEU   7          3HD1      LEU   7  20.195   6.003  -3.583
   46   HD21  LEU   7          3HD2      LEU   7  18.752   5.368  -5.457
   47   HD22  LEU   7          1HD2      LEU   7  17.275   5.862  -4.607
   48   HD23  LEU   7          2HD2      LEU   7  17.630   6.503  -6.230
   49    H    CYS   8           H        CYS   8  16.698  11.221  -2.233
   50    HA   CYS   8           HA       CYS   8  14.537  11.562  -4.029
   51    HB2  CYS   8           1HB      CYS   8  15.176  12.876  -1.347
   52    HB3  CYS   8           2HB      CYS   8  13.651  13.109  -2.180
   53    H    HIS   9           H        HIS   9  13.563  13.088  -5.182
   54    HA   HIS   9           HA       HIS   9  15.365  14.906  -6.686
   55    HB2  HIS   9           1HB      HIS   9  13.495  15.157  -8.228
   56    HB3  HIS   9           2HB      HIS   9  13.718  13.500  -7.849
   57    HD2  HIS   9           HD2      HIS   9  11.573  12.215  -6.716
   58    HE1  HIS   9           HE1      HIS   9   8.974  15.474  -6.708
   59    HE2  HIS   9           HE2      HIS   9   9.017  12.974  -6.277
   60    HA   HYP  10           HA       HYP  10  14.658  18.997  -4.873
   61    HB2  HYP  10           1HB      HYP  10  13.808  20.561  -7.085
   62    HB3  HYP  10           2HB      HYP  10  15.472  20.138  -6.661
   63    HG   HYP  10           HG       HYP  10  13.563  18.596  -8.536
   64   HD22  HYP  10          1HD       HYP  10  14.957  16.669  -8.245
   65   HD23  HYP  10          2HD       HYP  10  16.211  17.557  -7.351
   66    HD1  HYP  10           HG2      HYP  10  14.901  19.423  -9.917
   67    H    CYS  11           H        CYS  11  13.083  19.355  -3.478
   68    HA   CYS  11           HA       CYS  11  10.303  18.657  -3.764
   69    HB2  CYS  11           1HB      CYS  11  11.566  20.609  -1.726
   70    HB3  CYS  11           2HB      CYS  11  10.077  19.669  -1.536
   71    HXT  CYS  11           HO        OH  12   8.274  21.381  -4.367
  Start of MODEL    3
    1    H1   VAL   1           1H       VAL   1  13.502   9.683  -7.139
    2    H2   VAL   1           2H       VAL   1  14.852   8.911  -6.667
    3    HA   VAL   1           HA       VAL   1  12.920   7.678  -6.075
    4    HB   VAL   1           HB       VAL   1  14.765   8.714  -3.843
    5   HG11  VAL   1          1HG1      VAL   1  12.790   7.979  -2.547
    6   HG12  VAL   1          2HG1      VAL   1  12.670   6.475  -3.480
    7   HG13  VAL   1          3HG1      VAL   1  14.055   6.770  -2.399
    8   HG21  VAL   1          3HG2      VAL   1  14.551   5.993  -5.302
    9   HG22  VAL   1          1HG2      VAL   1  15.760   7.257  -5.629
   10   HG23  VAL   1          2HG2      VAL   1  15.747   6.430  -4.063
   11    H    CYS   2           H        CYS   2  12.879  10.632  -4.160
   12    HA   CYS   2           HA       CYS   2   9.833  10.716  -4.056
   13    HB2  CYS   2           1HB      CYS   2   9.808  10.167  -1.641
   14    HB3  CYS   2           2HB      CYS   2  10.627   8.857  -2.476
   15    H    CYS   3           H        CYS   3   9.581  12.147  -1.674
   16    HA   CYS   3           HA       CYS   3  11.524  14.518  -1.799
   17    HB2  CYS   3           1HB      CYS   3   9.215  15.292  -2.294
   18    HB3  CYS   3           2HB      CYS   3   8.591  14.541  -0.824
   19    H    GLY   4           H        GLY   4  13.046  14.049  -0.305
   20    HA2  GLY   4           1HA      GLY   4  13.563  14.490   2.132
   21    HA3  GLY   4           2HA      GLY   4  12.146  13.594   2.606
   22    H    TYR   5           H        TYR   5  15.249  13.018   0.980
   23    HA   TYR   5           HA       TYR   5  16.126  10.739   2.593
   24    HB2  TYR   5           1HB      TYR   5  14.150   9.589   1.650
   25    HB3  TYR   5           2HB      TYR   5  14.464  10.179   0.090
   26    HD1  TYR   5           HD1      TYR   5  15.674   7.768   2.631
   27    HD2  TYR   5           HD2      TYR   5  15.854   8.884  -1.506
   28    HE1  TYR   5           HE1      TYR   5  16.820   5.650   2.102
   29    HE2  TYR   5           HE2      TYR   5  16.895   6.693  -2.026
   30    HH   TYR   5           HH       TYR   5  18.177   4.721   0.447
   31    HA   PRO   6           HA       PRO   6  20.100  11.657   0.325
   32    HB2  PRO   6           1HB      PRO   6  20.766   8.958  -0.464
   33    HB3  PRO   6           2HB      PRO   6  21.140   9.753   1.076
   34    HG2  PRO   6           1HG      PRO   6  18.656   8.094   0.380
   35    HG3  PRO   6           2HG      PRO   6  19.812   7.807   1.727
   36    HD2  PRO   6           1HD      PRO   6  17.683   9.191   2.428
   37    HD3  PRO   6           2HD      PRO   6  19.205   9.997   2.772
   38    H    LEU   7           H        LEU   7  18.284   9.247  -1.574
   39    HA   LEU   7           HA       LEU   7  19.168  10.432  -4.207
   40    HB2  LEU   7           1HB      LEU   7  17.235   8.178  -3.496
   41    HB3  LEU   7           2HB      LEU   7  17.643   8.629  -5.113
   42    HG   LEU   7           HG       LEU   7  19.921   7.913  -4.972
   43   HD11  LEU   7          1HD1      LEU   7  20.640   8.288  -2.641
   44   HD12  LEU   7          2HD1      LEU   7  19.463   7.094  -2.024
   45   HD13  LEU   7          3HD1      LEU   7  20.841   6.584  -3.028
   46   HD21  LEU   7          3HD2      LEU   7  19.455   5.476  -4.761
   47   HD22  LEU   7          1HD2      LEU   7  18.013   5.788  -3.783
   48   HD23  LEU   7          2HD2      LEU   7  18.059   6.280  -5.492
   49    H    CYS   8           H        CYS   8  16.796  11.621  -2.221
   50    HA   CYS   8           HA       CYS   8  14.544  11.793  -4.229
   51    HB2  CYS   8           1HB      CYS   8  14.796  12.466  -1.252
   52    HB3  CYS   8           2HB      CYS   8  13.345  12.727  -2.203
   53    H    HIS   9           H        HIS   9  14.052  13.413  -5.407
   54    HA   HIS   9           HA       HIS   9  15.800  15.728  -5.732
   55    HB2  HIS   9           1HB      HIS   9  14.455  16.156  -7.750
   56    HB3  HIS   9           2HB      HIS   9  14.881  14.494  -7.637
   57    HD2  HIS   9           HD2      HIS   9  12.733  12.707  -7.009
   58    HE1  HIS   9           HE1      HIS   9   9.749  15.453  -7.959
   59    HE2  HIS   9           HE2      HIS   9  10.134  12.937  -7.598
   60    HA   HYP  10           HA       HYP  10  13.670  19.491  -4.069
   61    HB2  HYP  10           1HB      HYP  10  13.125  20.736  -6.666
   62    HB3  HYP  10           2HB      HYP  10  14.373  21.090  -5.481
   63    HG   HYP  10           HG       HYP  10  14.449  19.198  -7.878
   64   HD22  HYP  10          1HD       HYP  10  15.895  17.654  -6.849
   65   HD23  HYP  10          2HD       HYP  10  16.268  18.727  -5.476
   66    HD1  HYP  10           HG2      HYP  10  16.126  21.087  -6.588
   67    H    CYS  11           H        CYS  11  11.714  19.659  -3.285
   68    HA   CYS  11           HA       CYS  11   9.564  17.878  -4.237
   69    HB2  CYS  11           1HB      CYS  11   9.629  19.837  -1.849
   70    HB3  CYS  11           2HB      CYS  11   8.562  18.438  -2.052
   71    HXT  CYS  11           HO        OH  12   7.371  19.861  -5.907
  Start of MODEL    4
    1    H1   VAL   1           1H       VAL   1  14.280   8.618  -6.478
    2    H2   VAL   1           2H       VAL   1  14.267   9.957  -5.561
    3    HA   VAL   1           HA       VAL   1  12.704   7.477  -5.241
    4    HB   VAL   1           HB       VAL   1  14.818   8.866  -3.473
    5   HG11  VAL   1          1HG1      VAL   1  13.066   8.107  -1.870
    6   HG12  VAL   1          2HG1      VAL   1  13.028   6.498  -2.619
    7   HG13  VAL   1          3HG1      VAL   1  14.481   7.077  -1.773
    8   HG21  VAL   1          3HG2      VAL   1  14.623   6.016  -4.670
    9   HG22  VAL   1          1HG2      VAL   1  15.698   7.315  -5.239
   10   HG23  VAL   1          2HG2      VAL   1  15.927   6.610  -3.630
   11    H    CYS   2           H        CYS   2  12.865  10.470  -3.345
   12    HA   CYS   2           HA       CYS   2   9.800  10.499  -3.113
   13    HB2  CYS   2           1HB      CYS   2  10.038  10.243  -0.694
   14    HB3  CYS   2           2HB      CYS   2  10.925   8.915  -1.422
   15    H    CYS   3           H        CYS   3   9.610  12.269  -0.923
   16    HA   CYS   3           HA       CYS   3  11.387  14.687  -1.572
   17    HB2  CYS   3           1HB      CYS   3   9.007  15.173  -2.119
   18    HB3  CYS   3           2HB      CYS   3   8.491  14.717  -0.495
   19    H    GLY   4           H        GLY   4  12.929  13.468  -0.184
   20    HA2  GLY   4           1HA      GLY   4  13.587  14.717   2.203
   21    HA3  GLY   4           2HA      GLY   4  12.401  13.609   2.838
   22    H    TYR   5           H        TYR   5  15.350  13.347   0.828
   23    HA   TYR   5           HA       TYR   5  16.792  11.555   2.537
   24    HB2  TYR   5           1HB      TYR   5  15.162   9.896   2.425
   25    HB3  TYR   5           2HB      TYR   5  14.711  10.163   0.804
   26    HD1  TYR   5           HD2      TYR   5  16.166   9.199  -1.117
   27    HD2  TYR   5           HD1      TYR   5  16.815   8.222   3.021
   28    HE1  TYR   5           HE2      TYR   5  17.300   7.102  -1.758
   29    HE2  TYR   5           HE1      TYR   5  18.059   6.203   2.332
   30    HH   TYR   5           HH       TYR   5  19.142   5.266   0.442
   31    HA   PRO   6           HA       PRO   6  20.251  12.509  -0.298
   32    HB2  PRO   6           1HB      PRO   6  21.261   9.845  -0.809
   33    HB3  PRO   6           2HB      PRO   6  21.633  10.877   0.585
   34    HG2  PRO   6           1HG      PRO   6  19.354   8.823   0.326
   35    HG3  PRO   6           2HG      PRO   6  20.660   8.854   1.565
   36    HD2  PRO   6           1HD      PRO   6  18.445  10.035   2.335
   37    HD3  PRO   6           2HD      PRO   6  19.855  11.091   2.400
   38    H    LEU   7           H        LEU   7  18.757   9.576  -1.708
   39    HA   LEU   7           HA       LEU   7  19.199  10.483  -4.540
   40    HB2  LEU   7           1HB      LEU   7  17.505   8.204  -3.460
   41    HB3  LEU   7           2HB      LEU   7  17.844   8.494  -5.128
   42    HG   LEU   7           HG       LEU   7  20.216   7.965  -4.912
   43   HD11  LEU   7          1HD1      LEU   7  20.834   8.485  -2.570
   44   HD12  LEU   7          2HD1      LEU   7  19.710   7.258  -1.938
   45   HD13  LEU   7          3HD1      LEU   7  21.133   6.783  -2.881
   46   HD21  LEU   7          3HD2      LEU   7  19.862   5.510  -4.544
   47   HD22  LEU   7          1HD2      LEU   7  18.352   5.830  -3.662
   48   HD23  LEU   7          2HD2      LEU   7  18.464   6.201  -5.398
   49    H    CYS   8           H        CYS   8  16.799  11.474  -2.376
   50    HA   CYS   8           HA       CYS   8  14.384  11.355  -4.115
   51    HB2  CYS   8           1HB      CYS   8  14.954  12.807  -1.461
   52    HB3  CYS   8           2HB      CYS   8  13.397  12.709  -2.244
   53    H    HIS   9           H        HIS   9  13.499  12.848  -5.363
   54    HA   HIS   9           HA       HIS   9  15.220  15.033  -6.447
   55    HB2  HIS   9           1HB      HIS   9  13.551  15.127  -8.266
   56    HB3  HIS   9           2HB      HIS   9  14.119  13.534  -7.983
   57    HD2  HIS   9           HD2      HIS   9  12.251  11.666  -7.493
   58    HE1  HIS   9           HE1      HIS   9   8.945  14.187  -7.126
   59    HE2  HIS   9           HE2      HIS   9   9.587  11.690  -7.220
   60    HA   HYP  10           HA       HYP  10  13.358  18.678  -4.534
   61    HB2  HYP  10           1HB      HYP  10  13.048  20.491  -6.643
   62    HB3  HYP  10           2HB      HYP  10  14.581  20.040  -5.875
   63    HG   HYP  10           HG       HYP  10  13.360  18.769  -8.402
   64   HD22  HYP  10          1HD       HYP  10  14.712  16.866  -8.003
   65   HD23  HYP  10          2HD       HYP  10  15.710  17.684  -6.779
   66    HD1  HYP  10           HG2      HYP  10  15.147  20.601  -8.084
   67    H    CYS  11           H        CYS  11  11.450  19.496  -3.898
   68    HA   CYS  11           HA       CYS  11   9.090  17.820  -4.657
   69    HB2  CYS  11           1HB      CYS  11   9.349  19.867  -2.362
   70    HB3  CYS  11           2HB      CYS  11   8.270  18.473  -2.470
   71    HXT  CYS  11           HO        OH  12   7.233  20.130  -6.424
  Start of MODEL    5
    1    H1   VAL   1           1H       VAL   1  14.033  10.474  -6.066
    2    H2   VAL   1           2H       VAL   1  13.048   9.829  -7.213
    3    HA   VAL   1           HA       VAL   1  12.602   7.872  -5.944
    4    HB   VAL   1           HB       VAL   1  14.718   9.008  -4.005
    5   HG11  VAL   1          1HG1      VAL   1  12.911   8.247  -2.491
    6   HG12  VAL   1          2HG1      VAL   1  12.730   6.728  -3.387
    7   HG13  VAL   1          3HG1      VAL   1  14.213   7.073  -2.467
    8   HG21  VAL   1          3HG2      VAL   1  14.432   6.285  -5.427
    9   HG22  VAL   1          1HG2      VAL   1  15.590   7.568  -5.836
   10   HG23  VAL   1          2HG2      VAL   1  15.716   6.720  -4.284
   11    H    CYS   2           H        CYS   2  12.888  10.763  -3.929
   12    HA   CYS   2           HA       CYS   2   9.842  10.940  -3.631
   13    HB2  CYS   2           1HB      CYS   2  10.108  10.478  -1.231
   14    HB3  CYS   2           2HB      CYS   2  10.878   9.156  -2.084
   15    H    CYS   3           H        CYS   3   9.450  12.526  -1.533
   16    HA   CYS   3           HA       CYS   3  11.439  14.868  -1.533
   17    HB2  CYS   3           1HB      CYS   3   9.054  15.523  -1.691
   18    HB3  CYS   3           2HB      CYS   3   8.618  14.532  -0.298
   19    H    GLY   4           H        GLY   4  13.180  14.138  -0.350
   20    HA2  GLY   4           1HA      GLY   4  13.966  14.616   2.024
   21    HA3  GLY   4           2HA      GLY   4  12.653  13.669   2.655
   22    H    TYR   5           H        TYR   5  15.512  13.133   0.549
   23    HA   TYR   5           HA       TYR   5  16.692  11.068   2.213
   24    HB2  TYR   5           1HB      TYR   5  14.827   9.658   1.775
   25    HB3  TYR   5           2HB      TYR   5  14.647  10.122   0.162
   26    HD1  TYR   5           HD2      TYR   5  16.190   9.113  -1.670
   27    HD2  TYR   5           HD1      TYR   5  16.156   7.736   2.399
   28    HE1  TYR   5           HE2      TYR   5  17.106   6.920  -2.376
   29    HE2  TYR   5           HE1      TYR   5  17.158   5.597   1.672
   30    HH   TYR   5           HH       TYR   5  17.476   4.244  -0.171
   31    HA   PRO   6           HA       PRO   6  20.452  11.779  -0.251
   32    HB2  PRO   6           1HB      PRO   6  21.099   9.030  -0.964
   33    HB3  PRO   6           2HB      PRO   6  21.534   9.903   0.516
   34    HG2  PRO   6           1HG      PRO   6  19.030   8.208  -0.001
   35    HG3  PRO   6           2HG      PRO   6  20.242   7.990   1.307
   36    HD2  PRO   6           1HD      PRO   6  18.129   9.391   2.013
   37    HD3  PRO   6           2HD      PRO   6  19.646  10.252   2.265
   38    H    LEU   7           H        LEU   7  18.631   9.291  -2.046
   39    HA   LEU   7           HA       LEU   7  19.468  10.365  -4.733
   40    HB2  LEU   7           1HB      LEU   7  17.416   8.241  -3.955
   41    HB3  LEU   7           2HB      LEU   7  17.841   8.635  -5.582
   42    HG   LEU   7           HG       LEU   7  20.103   7.794  -5.404
   43   HD11  LEU   7          1HD1      LEU   7  20.813   8.101  -3.078
   44   HD12  LEU   7          2HD1      LEU   7  19.520   7.039  -2.461
   45   HD13  LEU   7          3HD1      LEU   7  20.854   6.379  -3.434
   46   HD21  LEU   7          3HD2      LEU   7  19.484   5.385  -5.197
   47   HD22  LEU   7          1HD2      LEU   7  18.017   5.801  -4.283
   48   HD23  LEU   7          2HD2      LEU   7  18.168   6.273  -5.993
   49    H    CYS   8           H        CYS   8  16.958  11.396  -2.659
   50    HA   CYS   8           HA       CYS   8  14.684  11.502  -4.522
   51    HB2  CYS   8           1HB      CYS   8  15.202  12.709  -1.738
   52    HB3  CYS   8           2HB      CYS   8  13.675  12.840  -2.578
   53    H    HIS   9           H        HIS   9  13.531  13.244  -5.249
   54    HA   HIS   9           HA       HIS   9  15.160  15.473  -6.477
   55    HB2  HIS   9           1HB      HIS   9  13.204  15.783  -7.953
   56    HB3  HIS   9           2HB      HIS   9  13.827  14.180  -8.022
   57    HD2  HIS   9           HD2      HIS   9  12.160  12.153  -7.006
   58    HE1  HIS   9           HE1      HIS   9   8.780  14.580  -6.656
   59    HE2  HIS   9           HE2      HIS   9   9.519  12.113  -6.567
   60    HA   HYP  10           HA       HYP  10  13.565  18.846  -3.835
   61    HB2  HYP  10           1HB      HYP  10  12.596  20.729  -5.708
   62    HB3  HYP  10           2HB      HYP  10  14.282  20.499  -5.225
   63    HG   HYP  10           HG       HYP  10  12.821  19.164  -7.595
   64   HD22  HYP  10          1HD       HYP  10  14.498  17.474  -7.607
   65   HD23  HYP  10          2HD       HYP  10  15.540  18.334  -6.442
   66    HD1  HYP  10           HG2      HYP  10  15.348  20.503  -7.262
   67    H    CYS  11           H        CYS  11  11.736  19.629  -2.820
   68    HA   CYS  11           HA       CYS  11   9.357  17.856  -3.095
   69    HB2  CYS  11           1HB      CYS  11  10.039  20.086  -1.083
   70    HB3  CYS  11           2HB      CYS  11   8.722  18.915  -0.926
   71    HXT  CYS  11           HO        OH  12   7.132  19.717  -4.826
  Start of MODEL    6
    1    H1   VAL   1           1H       VAL   1  12.899   9.986  -7.192
    2    H2   VAL   1           2H       VAL   1  14.265   9.143  -6.895
    3    HA   VAL   1           HA       VAL   1  12.321   7.950  -6.158
    4    HB   VAL   1           HB       VAL   1  14.485   8.779  -4.137
    5   HG11  VAL   1          1HG1      VAL   1  12.638   8.134  -2.616
    6   HG12  VAL   1          2HG1      VAL   1  12.335   6.644  -3.538
    7   HG13  VAL   1          3HG1      VAL   1  13.849   6.866  -2.639
    8   HG21  VAL   1          3HG2      VAL   1  13.910   6.115  -5.598
    9   HG22  VAL   1          1HG2      VAL   1  15.145   7.310  -6.062
   10   HG23  VAL   1          2HG2      VAL   1  15.282   6.446  -4.522
   11    H    CYS   2           H        CYS   2  12.608  10.921  -4.299
   12    HA   CYS   2           HA       CYS   2   9.636  11.044  -3.679
   13    HB2  CYS   2           1HB      CYS   2   9.975  10.552  -1.276
   14    HB3  CYS   2           2HB      CYS   2  10.623   9.200  -2.177
   15    H    CYS   3           H        CYS   3   9.464  12.569  -1.516
   16    HA   CYS   3           HA       CYS   3  11.697  14.687  -1.441
   17    HB2  CYS   3           1HB      CYS   3   9.407  15.700  -1.441
   18    HB3  CYS   3           2HB      CYS   3   8.913  14.712  -0.070
   19    H    GLY   4           H        GLY   4  13.360  13.838  -0.183
   20    HA2  GLY   4           1HA      GLY   4  13.933  14.035   2.317
   21    HA3  GLY   4           2HA      GLY   4  12.615  12.967   2.690
   22    H    TYR   5           H        TYR   5  15.486  12.628   0.542
   23    HA   TYR   5           HA       TYR   5  16.613  10.325   1.987
   24    HB2  TYR   5           1HB      TYR   5  14.551   9.207   1.378
   25    HB3  TYR   5           2HB      TYR   5  14.558   9.806  -0.216
   26    HD1  TYR   5           HD2      TYR   5  15.994   8.708  -2.039
   27    HD2  TYR   5           HD1      TYR   5  15.845   7.249   1.990
   28    HE1  TYR   5           HE2      TYR   5  16.891   6.519  -2.781
   29    HE2  TYR   5           HE1      TYR   5  16.752   5.096   1.249
   30    HH   TYR   5           HH       TYR   5  17.575   3.951  -0.409
   31    HA   PRO   6           HA       PRO   6  20.338  11.165  -0.580
   32    HB2  PRO   6           1HB      PRO   6  20.801   8.473  -1.598
   33    HB3  PRO   6           2HB      PRO   6  21.391   9.182  -0.090
   34    HG2  PRO   6           1HG      PRO   6  18.805   7.624  -0.540
   35    HG3  PRO   6           2HG      PRO   6  20.084   7.297   0.673
   36    HD2  PRO   6           1HD      PRO   6  18.031   8.671   1.568
   37    HD3  PRO   6           2HD      PRO   6  19.592   9.454   1.837
   38    H    LEU   7           H        LEU   7  18.371   8.912  -2.504
   39    HA   LEU   7           HA       LEU   7  19.085  10.183  -5.110
   40    HB2  LEU   7           1HB      LEU   7  17.013   8.069  -4.316
   41    HB3  LEU   7           2HB      LEU   7  17.259   8.586  -5.951
   42    HG   LEU   7           HG       LEU   7  19.524   7.724  -6.077
   43   HD11  LEU   7          1HD1      LEU   7  20.449   7.845  -3.794
   44   HD12  LEU   7          2HD1      LEU   7  19.231   6.703  -3.170
   45   HD13  LEU   7          3HD1      LEU   7  20.472   6.168  -4.325
   46   HD21  LEU   7          3HD2      LEU   7  18.895   5.313  -6.015
   47   HD22  LEU   7          1HD2      LEU   7  17.540   5.655  -4.918
   48   HD23  LEU   7          2HD2      LEU   7  17.515   6.273  -6.586
   49    H    CYS   8           H        CYS   8  16.752  11.255  -2.880
   50    HA   CYS   8           HA       CYS   8  14.446  11.734  -4.684
   51    HB2  CYS   8           1HB      CYS   8  15.122  12.556  -1.789
   52    HB3  CYS   8           2HB      CYS   8  13.578  12.853  -2.555
   53    H    HIS   9           H        HIS   9  13.412  13.736  -5.051
   54    HA   HIS   9           HA       HIS   9  15.329  15.873  -6.069
   55    HB2  HIS   9           1HB      HIS   9  13.463  16.531  -7.579
   56    HB3  HIS   9           2HB      HIS   9  13.984  14.903  -7.800
   57    HD2  HIS   9           HD2      HIS   9  12.128  12.911  -7.184
   58    HE1  HIS   9           HE1      HIS   9   8.911  15.480  -6.505
   59    HE2  HIS   9           HE2      HIS   9   9.479  12.982  -6.920
   60    HA   HYP  10           HA       HYP  10  13.889  19.222  -3.305
   61    HB2  HYP  10           1HB      HYP  10  13.096  21.250  -5.163
   62    HB3  HYP  10           2HB      HYP  10  14.705  20.944  -4.496
   63    HG   HYP  10           HG       HYP  10  13.508  19.850  -7.114
   64   HD22  HYP  10          1HD       HYP  10  14.994  17.993  -7.040
   65   HD23  HYP  10          2HD       HYP  10  15.974  18.677  -5.717
   66    HD1  HYP  10           HG2      HYP  10  15.999  20.999  -6.244
   67    H    CYS  11           H        CYS  11  12.114  20.035  -2.286
   68    HA   CYS  11           HA       CYS  11   9.604  18.443  -2.835
   69    HB2  CYS  11           1HB      CYS  11  10.471  20.047  -0.344
   70    HB3  CYS  11           2HB      CYS  11   9.194  18.831  -0.452
   71    HXT  CYS  11           HO        OH  12   8.061  21.270  -4.215
  Start of MODEL    7
    1    H1   VAL   1           1H       VAL   1  12.827   9.906  -6.923
    2    H2   VAL   1           2H       VAL   1  14.136   8.994  -6.570
    3    HA   VAL   1           HA       VAL   1  12.150   8.117  -5.559
    4    HB   VAL   1           HB       VAL   1  14.487   8.965  -3.757
    5   HG11  VAL   1          1HG1      VAL   1  12.717   8.602  -2.102
    6   HG12  VAL   1          2HG1      VAL   1  12.136   7.141  -2.929
    7   HG13  VAL   1          3HG1      VAL   1  13.716   7.161  -2.121
    8   HG21  VAL   1          3HG2      VAL   1  13.651   6.244  -4.975
    9   HG22  VAL   1          1HG2      VAL   1  14.967   7.287  -5.569
   10   HG23  VAL   1          2HG2      VAL   1  15.080   6.538  -3.968
   11    H    CYS   2           H        CYS   2  12.840  10.916  -3.522
   12    HA   CYS   2           HA       CYS   2   9.815  11.439  -3.232
   13    HB2  CYS   2           1HB      CYS   2  10.166  11.054  -0.826
   14    HB3  CYS   2           2HB      CYS   2  10.805   9.657  -1.663
   15    H    CYS   3           H        CYS   3   9.823  13.104  -1.075
   16    HA   CYS   3           HA       CYS   3  12.218  15.018  -1.276
   17    HB2  CYS   3           1HB      CYS   3  10.135  16.343  -1.635
   18    HB3  CYS   3           2HB      CYS   3   9.404  15.682  -0.168
   19    H    GLY   4           H        GLY   4  13.605  13.890   0.092
   20    HA2  GLY   4           1HA      GLY   4  13.943  13.960   2.751
   21    HA3  GLY   4           2HA      GLY   4  12.551  12.903   2.828
   22    H    TYR   5           H        TYR   5  15.311  12.509   0.606
   23    HA   TYR   5           HA       TYR   5  16.595  10.401   2.161
   24    HB2  TYR   5           1HB      TYR   5  14.708   9.051   1.758
   25    HB3  TYR   5           2HB      TYR   5  14.446   9.537   0.142
   26    HD1  TYR   5           HD2      TYR   5  15.980   8.637  -1.753
   27    HD2  TYR   5           HD1      TYR   5  16.076   7.140   2.259
   28    HE1  TYR   5           HE2      TYR   5  16.960   6.498  -2.550
   29    HE2  TYR   5           HE1      TYR   5  17.099   5.029   1.443
   30    HH   TYR   5           HH       TYR   5  17.353   3.732  -0.470
   31    HA   PRO   6           HA       PRO   6  20.160  11.342  -0.534
   32    HB2  PRO   6           1HB      PRO   6  20.837   8.654  -1.404
   33    HB3  PRO   6           2HB      PRO   6  21.376   9.501   0.059
   34    HG2  PRO   6           1HG      PRO   6  18.912   7.709  -0.258
   35    HG3  PRO   6           2HG      PRO   6  20.241   7.553   0.951
   36    HD2  PRO   6           1HD      PRO   6  18.100   8.812   1.808
   37    HD3  PRO   6           2HD      PRO   6  19.596   9.745   1.973
   38    H    LEU   7           H        LEU   7  18.426   8.805  -2.362
   39    HA   LEU   7           HA       LEU   7  19.028   9.991  -5.015
   40    HB2  LEU   7           1HB      LEU   7  17.021   7.859  -4.134
   41    HB3  LEU   7           2HB      LEU   7  17.325   8.265  -5.782
   42    HG   LEU   7           HG       LEU   7  19.579   7.464  -5.800
   43   HD11  LEU   7          1HD1      LEU   7  20.490   7.801  -3.530
   44   HD12  LEU   7          2HD1      LEU   7  19.314   6.664  -2.822
   45   HD13  LEU   7          3HD1      LEU   7  20.583   6.089  -3.927
   46   HD21  LEU   7          3HD2      LEU   7  19.055   5.051  -5.519
   47   HD22  LEU   7          1HD2      LEU   7  17.656   5.436  -4.486
   48   HD23  LEU   7          2HD2      LEU   7  17.659   5.903  -6.203
   49    H    CYS   8           H        CYS   8  16.812  11.262  -2.888
   50    HA   CYS   8           HA       CYS   8  14.384  11.501  -4.489
   51    HB2  CYS   8           1HB      CYS   8  15.388  12.942  -1.961
   52    HB3  CYS   8           2HB      CYS   8  13.760  13.076  -2.583
   53    H    HIS   9           H        HIS   9  13.306  13.378  -5.195
   54    HA   HIS   9           HA       HIS   9  15.078  15.209  -6.848
   55    HB2  HIS   9           1HB      HIS   9  13.155  15.616  -8.277
   56    HB3  HIS   9           2HB      HIS   9  13.437  13.925  -8.136
   57    HD2  HIS   9           HD2      HIS   9  11.549  12.532  -6.430
   58    HE1  HIS   9           HE1      HIS   9   8.689  15.542  -6.609
   59    HE2  HIS   9           HE2      HIS   9   9.036  13.157  -5.806
   60    HA   HYP  10           HA       HYP  10  14.252  18.997  -4.530
   61    HB2  HYP  10           1HB      HYP  10  13.116  20.664  -6.647
   62    HB3  HYP  10           2HB      HYP  10  14.770  20.579  -6.055
   63    HG   HYP  10           HG       HYP  10  13.467  19.065  -8.366
   64   HD22  HYP  10          1HD       HYP  10  14.710  17.124  -8.070
   65   HD23  HYP  10          2HD       HYP  10  15.910  17.865  -6.986
   66    HD1  HYP  10           HG2      HYP  10  15.016  20.186  -9.270
   67    H    CYS  11           H        CYS  11  12.776  19.945  -3.286
   68    HA   CYS  11           HA       CYS  11  10.169  18.523  -3.058
   69    HB2  CYS  11           1HB      CYS  11  11.479  20.750  -1.338
   70    HB3  CYS  11           2HB      CYS  11  10.109  19.735  -0.856
   71    HXT  CYS  11           HO        OH  12   7.721  20.767  -3.807
  Start of MODEL    8
    1    H1   VAL   1           1H       VAL   1  14.552   9.252  -7.348
    2    H2   VAL   1           2H       VAL   1  14.390  10.465  -6.275
    3    HA   VAL   1           HA       VAL   1  12.609   8.133  -6.676
    4    HB   VAL   1           HB       VAL   1  14.509   8.917  -4.385
    5   HG11  VAL   1          1HG1      VAL   1  12.371   8.072  -3.294
    6   HG12  VAL   1          2HG1      VAL   1  12.474   6.591  -4.261
    7   HG13  VAL   1          3HG1      VAL   1  13.737   6.992  -3.070
    8   HG21  VAL   1          3HG2      VAL   1  14.269   6.337  -6.070
    9   HG22  VAL   1          1HG2      VAL   1  15.516   7.593  -6.266
   10   HG23  VAL   1          2HG2      VAL   1  15.438   6.639  -4.771
   11    H    CYS   2           H        CYS   2  12.756  10.775  -4.331
   12    HA   CYS   2           HA       CYS   2   9.721  11.170  -4.437
   13    HB2  CYS   2           1HB      CYS   2   9.558  10.341  -2.123
   14    HB3  CYS   2           2HB      CYS   2  10.313   9.080  -3.082
   15    H    CYS   3           H        CYS   3   9.656  12.223  -1.718
   16    HA   CYS   3           HA       CYS   3  11.504  14.668  -1.744
   17    HB2  CYS   3           1HB      CYS   3   9.207  15.498  -1.881
   18    HB3  CYS   3           2HB      CYS   3   8.630  14.391  -0.630
   19    H    GLY   4           H        GLY   4  13.138  14.345  -0.314
   20    HA2  GLY   4           1HA      GLY   4  13.818  14.527   2.074
   21    HA3  GLY   4           2HA      GLY   4  12.405  13.641   2.560
   22    H    TYR   5           H        TYR   5  15.437  13.032   0.766
   23    HA   TYR   5           HA       TYR   5  16.244  10.603   2.192
   24    HB2  TYR   5           1HB      TYR   5  14.126   9.668   1.369
   25    HB3  TYR   5           2HB      TYR   5  14.358  10.292  -0.201
   26    HD1  TYR   5           HD1      TYR   5  15.239   7.637   2.139
   27    HD2  TYR   5           HD2      TYR   5  15.855   9.010  -1.880
   28    HE1  TYR   5           HE1      TYR   5  16.154   5.438   1.512
   29    HE2  TYR   5           HE2      TYR   5  16.674   6.756  -2.503
   30    HH   TYR   5           HH       TYR   5  16.993   4.201  -0.052
   31    HA   PRO   6           HA       PRO   6  20.131  11.365  -0.161
   32    HB2  PRO   6           1HB      PRO   6  20.705   8.677  -1.053
   33    HB3  PRO   6           2HB      PRO   6  21.077   9.378   0.526
   34    HG2  PRO   6           1HG      PRO   6  18.539   7.850  -0.265
   35    HG3  PRO   6           2HG      PRO   6  19.685   7.460   1.064
   36    HD2  PRO   6           1HD      PRO   6  17.601   8.878   1.797
   37    HD3  PRO   6           2HD      PRO   6  19.151   9.614   2.220
   38    H    LEU   7           H        LEU   7  18.508   8.950  -2.172
   39    HA   LEU   7           HA       LEU   7  19.183  10.220  -4.762
   40    HB2  LEU   7           1HB      LEU   7  17.109   8.083  -4.057
   41    HB3  LEU   7           2HB      LEU   7  17.555   8.532  -5.665
   42    HG   LEU   7           HG       LEU   7  19.808   7.646  -5.483
   43   HD11  LEU   7          1HD1      LEU   7  20.458   7.817  -3.125
   44   HD12  LEU   7          2HD1      LEU   7  19.127   6.749  -2.599
   45   HD13  LEU   7          3HD1      LEU   7  20.480   6.119  -3.568
   46   HD21  LEU   7          3HD2      LEU   7  19.119   5.241  -5.410
   47   HD22  LEU   7          1HD2      LEU   7  17.651   5.655  -4.497
   48   HD23  LEU   7          2HD2      LEU   7  17.831   6.196  -6.178
   49    H    CYS   8           H        CYS   8  16.638  11.078  -2.625
   50    HA   CYS   8           HA       CYS   8  14.445  11.518  -4.604
   51    HB2  CYS   8           1HB      CYS   8  14.790  12.156  -1.610
   52    HB3  CYS   8           2HB      CYS   8  13.345  12.541  -2.516
   53    H    HIS   9           H        HIS   9  13.621  13.396  -5.358
   54    HA   HIS   9           HA       HIS   9  15.588  15.578  -5.859
   55    HB2  HIS   9           1HB      HIS   9  13.935  16.474  -7.465
   56    HB3  HIS   9           2HB      HIS   9  14.391  14.841  -7.778
   57    HD2  HIS   9           HD2      HIS   9  12.396  12.881  -7.194
   58    HE1  HIS   9           HE1      HIS   9   9.240  15.603  -7.217
   59    HE2  HIS   9           HE2      HIS   9   9.746  13.068  -7.328
   60    HA   HYP  10           HA       HYP  10  14.258  18.835  -2.955
   61    HB2  HYP  10           1HB      HYP  10  13.932  21.032  -4.748
   62    HB3  HYP  10           2HB      HYP  10  15.422  20.469  -3.979
   63    HG   HYP  10           HG       HYP  10  14.335  19.640  -6.740
   64   HD22  HYP  10          1HD       HYP  10  15.653  17.661  -6.606
   65   HD23  HYP  10          2HD       HYP  10  16.516  18.191  -5.138
   66    HD1  HYP  10           HG2      HYP  10  15.879  21.261  -6.693
   67    H    CYS  11           H        CYS  11  12.421  19.364  -1.983
   68    HA   CYS  11           HA       CYS  11   9.860  18.330  -3.036
   69    HB2  CYS  11           1HB      CYS  11  10.412  19.904  -0.445
   70    HB3  CYS  11           2HB      CYS  11   9.058  18.825  -0.778
   71    HXT  CYS  11           HO        OH  12   8.543  21.117  -4.538
  Start of MODEL    9
    1    H1   VAL   1           1H       VAL   1  13.113  10.688  -6.017
    2    H2   VAL   1           2H       VAL   1  11.861  10.425  -7.039
    3    HA   VAL   1           HA       VAL   1  11.119   8.494  -5.843
    4    HB   VAL   1           HB       VAL   1  13.643   8.961  -4.132
    5   HG11  VAL   1          1HG1      VAL   1  11.888   8.553  -2.439
    6   HG12  VAL   1          2HG1      VAL   1  11.245   7.180  -3.364
    7   HG13  VAL   1          3HG1      VAL   1  12.859   7.101  -2.628
    8   HG21  VAL   1          3HG2      VAL   1  12.541   6.468  -5.593
    9   HG22  VAL   1          1HG2      VAL   1  13.894   7.482  -6.141
   10   HG23  VAL   1          2HG2      VAL   1  14.028   6.548  -4.638
   11    H    CYS   2           H        CYS   2  12.299  11.153  -3.826
   12    HA   CYS   2           HA       CYS   2   9.445  12.003  -3.112
   13    HB2  CYS   2           1HB      CYS   2   9.864  11.425  -0.755
   14    HB3  CYS   2           2HB      CYS   2  10.176   9.971  -1.683
   15    H    CYS   3           H        CYS   3  10.139  13.456  -0.756
   16    HA   CYS   3           HA       CYS   3  11.852  15.742  -1.766
   17    HB2  CYS   3           1HB      CYS   3   9.876  16.457  -0.641
   18    HB3  CYS   3           2HB      CYS   3  10.128  15.377   0.740
   19    H    GLY   4           H        GLY   4  12.148  13.453   1.045
   20    HA2  GLY   4           1HA      GLY   4  15.057  14.496   1.401
   21    HA3  GLY   4           2HA      GLY   4  13.967  14.171   2.718
   22    H    TYR   5           H        TYR   5  15.984  12.641   0.306
   23    HA   TYR   5           HA       TYR   5  16.655  10.327   1.932
   24    HB2  TYR   5           1HB      TYR   5  14.381   9.584   1.653
   25    HB3  TYR   5           2HB      TYR   5  14.295  10.025   0.028
   26    HD1  TYR   5           HD2      TYR   5  15.284   8.512  -1.815
   27    HD2  TYR   5           HD1      TYR   5  15.093   7.379   2.323
   28    HE1  TYR   5           HE2      TYR   5  15.354   6.122  -2.453
   29    HE2  TYR   5           HE1      TYR   5  15.198   5.001   1.669
   30    HH   TYR   5           HH       TYR   5  14.830   3.602  -0.009
   31    HA   PRO   6           HA       PRO   6  20.224   9.954  -0.870
   32    HB2  PRO   6           1HB      PRO   6  19.972   7.156  -1.649
   33    HB3  PRO   6           2HB      PRO   6  20.770   7.816  -0.213
   34    HG2  PRO   6           1HG      PRO   6  17.844   6.931  -0.486
   35    HG3  PRO   6           2HG      PRO   6  19.066   6.352   0.701
   36    HD2  PRO   6           1HD      PRO   6  17.519   8.281   1.601
   37    HD3  PRO   6           2HD      PRO   6  19.242   8.642   1.707
   38    H    LEU   7           H        LEU   7  17.519   8.286  -2.423
   39    HA   LEU   7           HA       LEU   7  18.393   9.036  -5.216
   40    HB2  LEU   7           1HB      LEU   7  15.962   7.558  -4.065
   41    HB3  LEU   7           2HB      LEU   7  16.180   7.861  -5.763
   42    HG   LEU   7           HG       LEU   7  18.200   6.518  -5.904
   43   HD11  LEU   7          1HD1      LEU   7  19.242   6.544  -3.694
   44   HD12  LEU   7          2HD1      LEU   7  17.803   5.826  -2.922
   45   HD13  LEU   7          3HD1      LEU   7  18.803   4.880  -4.053
   46   HD21  LEU   7          3HD2      LEU   7  17.046   4.330  -5.666
   47   HD22  LEU   7          1HD2      LEU   7  15.849   5.042  -4.553
   48   HD23  LEU   7          2HD2      LEU   7  15.898   5.543  -6.263
   49    H    CYS   8           H        CYS   8  16.480  10.751  -2.958
   50    HA   CYS   8           HA       CYS   8  14.141  11.376  -4.578
   51    HB2  CYS   8           1HB      CYS   8  15.252  12.388  -1.891
   52    HB3  CYS   8           2HB      CYS   8  13.722  12.914  -2.532
   53    H    HIS   9           H        HIS   9  13.244  13.655  -4.671
   54    HA   HIS   9           HA       HIS   9  14.963  15.112  -6.702
   55    HB2  HIS   9           1HB      HIS   9  12.827  15.992  -7.600
   56    HB3  HIS   9           2HB      HIS   9  12.923  14.269  -7.639
   57    HD2  HIS   9           HD2      HIS   9  10.794  13.003  -6.725
   58    HE1  HIS   9           HE1      HIS   9   8.951  16.159  -4.711
   59    HE2  HIS   9           HE2      HIS   9   8.561  13.725  -5.414
   60    HA   HYP  10           HA       HYP  10  15.224  18.989  -4.244
   61    HB2  HYP  10           1HB      HYP  10  14.484  20.935  -6.132
   62    HB3  HYP  10           2HB      HYP  10  16.053  20.125  -6.056
   63    HG   HYP  10           HG       HYP  10  13.601  19.255  -7.731
   64   HD22  HYP  10          1HD       HYP  10  14.615  17.097  -7.894
   65   HD23  HYP  10          2HD       HYP  10  16.164  17.638  -7.201
   66    HD1  HYP  10           HG2      HYP  10  16.394  19.674  -8.270
   67    H    CYS  11           H        CYS  11  13.831  19.457  -2.654
   68    HA   CYS  11           HA       CYS  11  11.056  18.728  -2.652
   69    HB2  CYS  11           1HB      CYS  11  12.602  20.596  -0.735
   70    HB3  CYS  11           2HB      CYS  11  11.057  19.818  -0.385
   71    HXT  CYS  11           HO        OH  12   9.142  21.303  -3.827
  Start of MODEL   10
    1    H1   VAL   1           1H       VAL   1  11.793  10.522  -6.910
    2    H2   VAL   1           2H       VAL   1  12.818   9.264  -6.998
    3    HA   VAL   1           HA       VAL   1  11.073   8.585  -5.647
    4    HB   VAL   1           HB       VAL   1  13.687   9.081  -4.087
    5   HG11  VAL   1          1HG1      VAL   1  12.048   8.674  -2.307
    6   HG12  VAL   1          2HG1      VAL   1  11.286   7.341  -3.206
    7   HG13  VAL   1          3HG1      VAL   1  12.931   7.179  -2.556
    8   HG21  VAL   1          3HG2      VAL   1  12.578   6.523  -5.411
    9   HG22  VAL   1          1HG2      VAL   1  13.855   7.554  -6.094
   10   HG23  VAL   1          2HG2      VAL   1  14.118   6.699  -4.573
   11    H    CYS   2           H        CYS   2  12.438  11.112  -3.602
   12    HA   CYS   2           HA       CYS   2   9.615  12.089  -2.889
   13    HB2  CYS   2           1HB      CYS   2  10.099  11.416  -0.591
   14    HB3  CYS   2           2HB      CYS   2  10.440  10.016  -1.584
   15    H    CYS   3           H        CYS   3  10.467  13.372  -0.464
   16    HA   CYS   3           HA       CYS   3  12.220  15.697  -1.359
   17    HB2  CYS   3           1HB      CYS   3  10.217  16.435  -0.236
   18    HB3  CYS   3           2HB      CYS   3  10.366  15.244   1.058
   19    H    GLY   4           H        GLY   4  12.227  13.085   1.113
   20    HA2  GLY   4           1HA      GLY   4  15.106  13.919   1.941
   21    HA3  GLY   4           2HA      GLY   4  13.897  13.315   3.028
   22    H    TYR   5           H        TYR   5  15.826  12.227   0.251
   23    HA   TYR   5           HA       TYR   5  16.804   9.847   1.597
   24    HB2  TYR   5           1HB      TYR   5  14.693   8.815   1.429
   25    HB3  TYR   5           2HB      TYR   5  14.288   9.451  -0.089
   26    HD1  TYR   5           HD2      TYR   5  15.450   8.485  -2.255
   27    HD2  TYR   5           HD1      TYR   5  15.652   6.606   1.599
   28    HE1  TYR   5           HE2      TYR   5  15.950   6.296  -3.316
   29    HE2  TYR   5           HE1      TYR   5  16.151   4.446   0.514
   30    HH   TYR   5           HH       TYR   5  16.264   3.318  -1.430
   31    HA   PRO   6           HA       PRO   6  20.200  10.171  -1.423
   32    HB2  PRO   6           1HB      PRO   6  20.119   7.460  -2.515
   33    HB3  PRO   6           2HB      PRO   6  21.043   8.078  -1.135
   34    HG2  PRO   6           1HG      PRO   6  18.248   6.856  -1.143
   35    HG3  PRO   6           2HG      PRO   6  19.644   6.384  -0.119
   36    HD2  PRO   6           1HD      PRO   6  17.899   7.983   1.015
   37    HD3  PRO   6           2HD      PRO   6  19.566   8.585   1.064
   38    H    LEU   7           H        LEU   7  17.663   8.334  -3.135
   39    HA   LEU   7           HA       LEU   7  18.311   9.628  -5.786
   40    HB2  LEU   7           1HB      LEU   7  16.149   7.667  -4.887
   41    HB3  LEU   7           2HB      LEU   7  16.309   8.227  -6.508
   42    HG   LEU   7           HG       LEU   7  18.411   7.159  -6.920
   43   HD11  LEU   7          1HD1      LEU   7  19.610   7.130  -4.759
   44   HD12  LEU   7          2HD1      LEU   7  18.359   6.103  -4.013
   45   HD13  LEU   7          3HD1      LEU   7  19.403   5.463  -5.303
   46   HD21  LEU   7          3HD2      LEU   7  17.541   4.804  -6.785
   47   HD22  LEU   7          1HD2      LEU   7  16.366   5.291  -5.545
   48   HD23  LEU   7          2HD2      LEU   7  16.226   5.924  -7.201
   49    H    CYS   8           H        CYS   8  16.579  11.002  -3.337
   50    HA   CYS   8           HA       CYS   8  14.006  11.604  -4.590
   51    HB2  CYS   8           1HB      CYS   8  15.423  12.626  -2.054
   52    HB3  CYS   8           2HB      CYS   8  13.795  13.065  -2.481
   53    H    HIS   9           H        HIS   9  13.062  13.520  -5.157
   54    HA   HIS   9           HA       HIS   9  14.696  15.455  -6.780
   55    HB2  HIS   9           1HB      HIS   9  12.464  16.255  -7.577
   56    HB3  HIS   9           2HB      HIS   9  12.683  14.567  -7.818
   57    HD2  HIS   9           HD2      HIS   9  10.913  12.908  -6.570
   58    HE1  HIS   9           HE1      HIS   9   8.773  15.802  -4.484
   59    HE2  HIS   9           HE2      HIS   9   8.712  13.314  -5.103
   60    HA   HYP  10           HA       HYP  10  14.754  18.920  -3.787
   61    HB2  HYP  10           1HB      HYP  10  13.623  21.088  -5.191
   62    HB3  HYP  10           2HB      HYP  10  15.259  20.458  -5.441
   63    HG   HYP  10           HG       HYP  10  12.708  19.555  -6.937
   64   HD22  HYP  10          1HD       HYP  10  14.026  17.642  -7.654
   65   HD23  HYP  10          2HD       HYP  10  15.525  18.299  -6.956
   66    HD1  HYP  10           HG2      HYP  10  13.697  20.386  -8.613
   67    H    CYS  11           H        CYS  11  13.544  19.629  -2.115
   68    HA   CYS  11           HA       CYS  11  10.890  18.528  -1.668
   69    HB2  CYS  11           1HB      CYS  11  12.551  20.622  -0.099
   70    HB3  CYS  11           2HB      CYS  11  11.135  19.780   0.539
   71    HXT  CYS  11           HO        OH  12   8.603  20.810  -2.758
  Start of MODEL   11
    1    H1   VAL   1           1H       VAL   1  13.096   9.492  -7.050
    2    H2   VAL   1           2H       VAL   1  13.492  10.618  -5.939
    3    HA   VAL   1           HA       VAL   1  11.277   8.665  -5.875
    4    HB   VAL   1           HB       VAL   1  13.840   9.015  -4.197
    5   HG11  VAL   1          1HG1      VAL   1  12.165   8.592  -2.445
    6   HG12  VAL   1          2HG1      VAL   1  11.421   7.276  -3.386
    7   HG13  VAL   1          3HG1      VAL   1  13.062   7.110  -2.728
    8   HG21  VAL   1          3HG2      VAL   1  12.608   6.586  -5.671
    9   HG22  VAL   1          1HG2      VAL   1  13.961   7.575  -6.268
   10   HG23  VAL   1          2HG2      VAL   1  14.152   6.608  -4.799
   11    H    CYS   2           H        CYS   2  12.482  11.218  -3.760
   12    HA   CYS   2           HA       CYS   2   9.632  11.986  -2.931
   13    HB2  CYS   2           1HB      CYS   2  10.147  11.303  -0.628
   14    HB3  CYS   2           2HB      CYS   2  10.476   9.909  -1.641
   15    H    CYS   3           H        CYS   3  10.651  13.191  -0.459
   16    HA   CYS   3           HA       CYS   3  12.390  15.512  -1.411
   17    HB2  CYS   3           1HB      CYS   3  10.350  16.331  -0.390
   18    HB3  CYS   3           2HB      CYS   3  10.484  15.237   0.990
   19    H    GLY   4           H        GLY   4  12.192  13.170   1.362
   20    HA2  GLY   4           1HA      GLY   4  15.121  13.879   2.067
   21    HA3  GLY   4           2HA      GLY   4  13.932  13.234   3.161
   22    H    TYR   5           H        TYR   5  15.938  12.288   0.429
   23    HA   TYR   5           HA       TYR   5  16.862   9.839   1.667
   24    HB2  TYR   5           1HB      TYR   5  14.698   8.886   1.374
   25    HB3  TYR   5           2HB      TYR   5  14.433   9.529  -0.159
   26    HD1  TYR   5           HD2      TYR   5  15.502   8.480  -2.244
   27    HD2  TYR   5           HD1      TYR   5  15.714   6.684   1.646
   28    HE1  TYR   5           HE2      TYR   5  15.889   6.253  -3.270
   29    HE2  TYR   5           HE1      TYR   5  16.140   4.485   0.604
   30    HH   TYR   5           HH       TYR   5  16.162   3.316  -1.297
   31    HA   PRO   6           HA       PRO   6  20.325  10.192  -1.299
   32    HB2  PRO   6           1HB      PRO   6  20.286   7.483  -2.403
   33    HB3  PRO   6           2HB      PRO   6  21.135   8.067  -0.958
   34    HG2  PRO   6           1HG      PRO   6  18.316   6.889  -1.136
   35    HG3  PRO   6           2HG      PRO   6  19.676   6.372  -0.073
   36    HD2  PRO   6           1HD      PRO   6  17.937   7.982   1.058
   37    HD3  PRO   6           2HD      PRO   6  19.608   8.541   1.155
   38    H    LEU   7           H        LEU   7  17.676   8.490  -2.947
   39    HA   LEU   7           HA       LEU   7  18.406   9.643  -5.658
   40    HB2  LEU   7           1HB      LEU   7  16.132   7.849  -4.681
   41    HB3  LEU   7           2HB      LEU   7  16.263   8.400  -6.316
   42    HG   LEU   7           HG       LEU   7  18.297   7.206  -6.775
   43   HD11  LEU   7          1HD1      LEU   7  19.549   7.127  -4.641
   44   HD12  LEU   7          2HD1      LEU   7  18.276   6.143  -3.871
   45   HD13  LEU   7          3HD1      LEU   7  19.259   5.480  -5.196
   46   HD21  LEU   7          3HD2      LEU   7  17.336   4.919  -6.665
   47   HD22  LEU   7          1HD2      LEU   7  16.241   5.396  -5.355
   48   HD23  LEU   7          2HD2      LEU   7  16.035   6.084  -6.979
   49    H    CYS   8           H        CYS   8  16.653  11.061  -3.152
   50    HA   CYS   8           HA       CYS   8  14.175  11.742  -4.523
   51    HB2  CYS   8           1HB      CYS   8  15.416  12.621  -1.853
   52    HB3  CYS   8           2HB      CYS   8  13.810  13.069  -2.382
   53    H    HIS   9           H        HIS   9  13.197  13.743  -4.838
   54    HA   HIS   9           HA       HIS   9  14.896  15.606  -6.521
   55    HB2  HIS   9           1HB      HIS   9  12.696  16.179  -7.575
   56    HB3  HIS   9           2HB      HIS   9  13.078  14.509  -7.690
   57    HD2  HIS   9           HD2      HIS   9  11.202  12.802  -6.804
   58    HE1  HIS   9           HE1      HIS   9   8.549  15.630  -5.255
   59    HE2  HIS   9           HE2      HIS   9   8.681  13.164  -5.952
   60    HA   HYP  10           HA       HYP  10  14.355  19.326  -3.915
   61    HB2  HYP  10           1HB      HYP  10  12.868  21.122  -5.572
   62    HB3  HYP  10           2HB      HYP  10  14.619  20.877  -5.526
   63    HG   HYP  10           HG       HYP  10  12.584  19.476  -7.356
   64   HD22  HYP  10          1HD       HYP  10  14.150  17.666  -7.634
   65   HD23  HYP  10          2HD       HYP  10  15.459  18.533  -6.816
   66    HD1  HYP  10           HG2      HYP  10  13.783  20.503  -8.821
   67    H    CYS  11           H        CYS  11  13.072  20.089  -2.360
   68    HA   CYS  11           HA       CYS  11  10.706  18.461  -1.761
   69    HB2  CYS  11           1HB      CYS  11  12.193  20.699  -0.240
   70    HB3  CYS  11           2HB      CYS  11  10.916  19.716   0.476
   71    HXT  CYS  11           HO        OH  12   7.875  20.337  -1.693
  Start of MODEL   12
    1    H1   VAL   1           1H       VAL   1  13.171   8.981  -6.802
    2    H2   VAL   1           2H       VAL   1  13.563  10.213  -5.810
    3    HA   VAL   1           HA       VAL   1  11.336   8.290  -5.566
    4    HB   VAL   1           HB       VAL   1  13.936   8.766  -4.000
    5   HG11  VAL   1          1HG1      VAL   1  12.390   8.594  -2.120
    6   HG12  VAL   1          2HG1      VAL   1  11.500   7.244  -2.864
    7   HG13  VAL   1          3HG1      VAL   1  13.175   7.041  -2.298
    8   HG21  VAL   1          3HG2      VAL   1  12.554   6.224  -5.099
    9   HG22  VAL   1          1HG2      VAL   1  13.885   7.088  -5.896
   10   HG23  VAL   1          2HG2      VAL   1  14.153   6.298  -4.334
   11    H    CYS   2           H        CYS   2  12.549  10.884  -3.536
   12    HA   CYS   2           HA       CYS   2   9.668  11.731  -2.853
   13    HB2  CYS   2           1HB      CYS   2  10.237  11.179  -0.536
   14    HB3  CYS   2           2HB      CYS   2  10.621   9.763  -1.488
   15    H    CYS   3           H        CYS   3  10.592  13.112  -0.477
   16    HA   CYS   3           HA       CYS   3  12.132  15.524  -1.521
   17    HB2  CYS   3           1HB      CYS   3  10.178  16.227  -0.338
   18    HB3  CYS   3           2HB      CYS   3  10.363  15.038   0.949
   19    H    GLY   4           H        GLY   4  12.374  13.061   1.102
   20    HA2  GLY   4           1HA      GLY   4  15.232  14.108   1.738
   21    HA3  GLY   4           2HA      GLY   4  14.109  13.462   2.901
   22    H    TYR   5           H        TYR   5  15.952  12.379   0.065
   23    HA   TYR   5           HA       TYR   5  17.229  10.177   1.491
   24    HB2  TYR   5           1HB      TYR   5  15.213   8.992   1.523
   25    HB3  TYR   5           2HB      TYR   5  14.643   9.521   0.006
   26    HD1  TYR   5           HD2      TYR   5  15.639   8.523  -2.173
   27    HD2  TYR   5           HD1      TYR   5  16.339   6.849   1.717
   28    HE1  TYR   5           HE2      TYR   5  16.152   6.326  -3.188
   29    HE2  TYR   5           HE1      TYR   5  16.912   4.675   0.667
   30    HH   TYR   5           HH       TYR   5  17.265   3.563  -1.313
   31    HA   PRO   6           HA       PRO   6  20.411  10.525  -1.754
   32    HB2  PRO   6           1HB      PRO   6  20.447   7.765  -2.710
   33    HB3  PRO   6           2HB      PRO   6  21.406   8.491  -1.402
   34    HG2  PRO   6           1HG      PRO   6  18.682   7.112  -1.232
   35    HG3  PRO   6           2HG      PRO   6  20.157   6.768  -0.261
   36    HD2  PRO   6           1HD      PRO   6  18.390   8.325   0.918
   37    HD3  PRO   6           2HD      PRO   6  20.017   9.013   0.821
   38    H    LEU   7           H        LEU   7  17.875   8.453  -3.203
   39    HA   LEU   7           HA       LEU   7  18.238   9.576  -5.938
   40    HB2  LEU   7           1HB      LEU   7  16.058   7.849  -4.678
   41    HB3  LEU   7           2HB      LEU   7  15.983   8.374  -6.326
   42    HG   LEU   7           HG       LEU   7  18.001   7.206  -6.983
   43   HD11  LEU   7          1HD1      LEU   7  19.388   7.124  -4.913
   44   HD12  LEU   7          2HD1      LEU   7  18.210   6.065  -4.116
   45   HD13  LEU   7          3HD1      LEU   7  19.120   5.501  -5.535
   46   HD21  LEU   7          3HD2      LEU   7  17.074   4.909  -6.801
   47   HD22  LEU   7          1HD2      LEU   7  16.073   5.376  -5.407
   48   HD23  LEU   7          2HD2      LEU   7  15.740   6.059  -7.014
   49    H    CYS   8           H        CYS   8  16.582  11.012  -3.324
   50    HA   CYS   8           HA       CYS   8  14.046  11.700  -4.561
   51    HB2  CYS   8           1HB      CYS   8  15.462  12.706  -2.021
   52    HB3  CYS   8           2HB      CYS   8  13.802  13.046  -2.425
   53    H    HIS   9           H        HIS   9  13.066  13.700  -4.865
   54    HA   HIS   9           HA       HIS   9  14.694  15.656  -6.530
   55    HB2  HIS   9           1HB      HIS   9  12.516  16.224  -7.598
   56    HB3  HIS   9           2HB      HIS   9  12.913  14.560  -7.797
   57    HD2  HIS   9           HD2      HIS   9  11.246  12.735  -6.563
   58    HE1  HIS   9           HE1      HIS   9   8.479  15.467  -5.073
   59    HE2  HIS   9           HE2      HIS   9   8.864  12.942  -5.367
   60    HA   HYP  10           HA       HYP  10  14.048  19.215  -3.768
   61    HB2  HYP  10           1HB      HYP  10  12.358  20.937  -5.382
   62    HB3  HYP  10           2HB      HYP  10  14.114  20.902  -5.246
   63    HG   HYP  10           HG       HYP  10  12.343  19.409  -7.237
   64   HD22  HYP  10          1HD       HYP  10  14.024  17.720  -7.505
   65   HD23  HYP  10          2HD       HYP  10  15.225  18.617  -6.549
   66    HD1  HYP  10           HG2      HYP  10  13.356  21.315  -7.879
   67    H    CYS  11           H        CYS  11  12.791  20.066  -2.218
   68    HA   CYS  11           HA       CYS  11  10.334  18.476  -1.519
   69    HB2  CYS  11           1HB      CYS  11  12.031  20.548   0.033
   70    HB3  CYS  11           2HB      CYS  11  10.764  19.536   0.734
   71    HXT  CYS  11           HO        OH  12   7.908  20.747  -2.287
  Start of MODEL   13
    1    H1   VAL   1           1H       VAL   1  13.033   8.814  -6.477
    2    H2   VAL   1           2H       VAL   1  13.331  10.200  -5.689
    3    HA   VAL   1           HA       VAL   1  11.193   8.230  -5.133
    4    HB   VAL   1           HB       VAL   1  13.807   8.921  -3.629
    5   HG11  VAL   1          1HG1      VAL   1  12.068   8.593  -1.854
    6   HG12  VAL   1          2HG1      VAL   1  11.547   7.077  -2.611
    7   HG13  VAL   1          3HG1      VAL   1  13.182   7.243  -1.919
    8   HG21  VAL   1          3HG2      VAL   1  12.735   6.309  -4.847
    9   HG22  VAL   1          1HG2      VAL   1  14.081   7.271  -5.463
   10   HG23  VAL   1          2HG2      VAL   1  14.221   6.448  -3.895
   11    H    CYS   2           H        CYS   2  12.415  10.699  -3.041
   12    HA   CYS   2           HA       CYS   2   9.575  11.794  -2.602
   13    HB2  CYS   2           1HB      CYS   2  10.099  11.400  -0.234
   14    HB3  CYS   2           2HB      CYS   2  10.412   9.897  -1.081
   15    H    CYS   3           H        CYS   3  10.428  13.336  -0.303
   16    HA   CYS   3           HA       CYS   3  12.522  15.300  -1.351
   17    HB2  CYS   3           1HB      CYS   3  10.356  16.490  -1.029
   18    HB3  CYS   3           2HB      CYS   3  10.208  15.870   0.616
   19    H    GLY   4           H        GLY   4  14.396  14.716  -0.417
   20    HA2  GLY   4           1HA      GLY   4  15.842  15.062   1.627
   21    HA3  GLY   4           2HA      GLY   4  14.530  14.561   2.652
   22    H    TYR   5           H        TYR   5  16.692  13.178   0.173
   23    HA   TYR   5           HA       TYR   5  17.704  10.976   1.730
   24    HB2  TYR   5           1HB      TYR   5  15.522  10.049   1.932
   25    HB3  TYR   5           2HB      TYR   5  15.041  10.433   0.353
   26    HD1  TYR   5           HD1      TYR   5  16.742   8.005   2.469
   27    HD2  TYR   5           HD2      TYR   5  15.671   8.853  -1.602
   28    HE1  TYR   5           HE1      TYR   5  17.153   5.646   1.851
   29    HE2  TYR   5           HE2      TYR   5  15.949   6.456  -2.153
   30    HH   TYR   5           HH       TYR   5  17.378   4.243   0.155
   31    HA   PRO   6           HA       PRO   6  20.692  10.755  -1.754
   32    HB2  PRO   6           1HB      PRO   6  20.663   7.904  -2.242
   33    HB3  PRO   6           2HB      PRO   6  21.604   8.766  -1.017
   34    HG2  PRO   6           1HG      PRO   6  18.777   7.589  -0.697
   35    HG3  PRO   6           2HG      PRO   6  20.247   7.198   0.275
   36    HD2  PRO   6           1HD      PRO   6  18.738   9.056   1.348
   37    HD3  PRO   6           2HD      PRO   6  20.396   9.582   1.071
   38    H    LEU   7           H        LEU   7  18.163   8.412  -2.657
   39    HA   LEU   7           HA       LEU   7  18.221   9.136  -5.546
   40    HB2  LEU   7           1HB      LEU   7  16.191   7.515  -3.950
   41    HB3  LEU   7           2HB      LEU   7  16.264   7.637  -5.686
   42    HG   LEU   7           HG       LEU   7  18.350   6.414  -5.843
   43   HD11  LEU   7          1HD1      LEU   7  19.571   6.738  -3.764
   44   HD12  LEU   7          2HD1      LEU   7  18.258   6.036  -2.777
   45   HD13  LEU   7          3HD1      LEU   7  19.203   5.024  -3.889
   46   HD21  LEU   7          3HD2      LEU   7  17.354   4.201  -5.250
   47   HD22  LEU   7          1HD2      LEU   7  16.208   4.985  -4.131
   48   HD23  LEU   7          2HD2      LEU   7  16.092   5.278  -5.884
   49    H    CYS   8           H        CYS   8  16.627  10.791  -3.027
   50    HA   CYS   8           HA       CYS   8  13.973  11.184  -4.232
   51    HB2  CYS   8           1HB      CYS   8  15.389  12.454  -1.820
   52    HB3  CYS   8           2HB      CYS   8  13.751  12.860  -2.291
   53    H    HIS   9           H        HIS   9  12.897  13.109  -4.774
   54    HA   HIS   9           HA       HIS   9  14.523  14.755  -6.737
   55    HB2  HIS   9           1HB      HIS   9  12.466  15.137  -7.949
   56    HB3  HIS   9           2HB      HIS   9  12.717  13.453  -7.736
   57    HD2  HIS   9           HD2      HIS   9  10.781  12.094  -6.325
   58    HE1  HIS   9           HE1      HIS   9   8.167  15.321  -5.859
   59    HE2  HIS   9           HE2      HIS   9   8.260  12.764  -5.650
   60    HA   HYP  10           HA       HYP  10  14.017  18.703  -4.612
   61    HB2  HYP  10           1HB      HYP  10  12.868  20.333  -6.712
   62    HB3  HYP  10           2HB      HYP  10  14.567  20.103  -6.274
   63    HG   HYP  10           HG       HYP  10  12.914  18.642  -8.387
   64   HD22  HYP  10          1HD       HYP  10  14.029  16.613  -8.096
   65   HD23  HYP  10          2HD       HYP  10  15.372  17.331  -7.178
   66    HD1  HYP  10           HG2      HYP  10  14.701  20.298  -8.628
   67    H    CYS  11           H        CYS  11  12.617  20.161  -3.602
   68    HA   CYS  11           HA       CYS  11  10.085  18.673  -2.857
   69    HB2  CYS  11           1HB      CYS  11  11.620  20.911  -1.380
   70    HB3  CYS  11           2HB      CYS  11  10.405  19.825  -0.699
   71    HXT  CYS  11           HO        OH  12   7.643  21.081  -3.037
  Start of MODEL   14
    1    H1   VAL   1           1H       VAL   1  14.007   8.961  -6.790
    2    H2   VAL   1           2H       VAL   1  14.169  10.213  -5.772
    3    HA   VAL   1           HA       VAL   1  12.070   8.141  -5.806
    4    HB   VAL   1           HB       VAL   1  14.371   8.805  -3.872
    5   HG11  VAL   1          1HG1      VAL   1  12.551   8.500  -2.273
    6   HG12  VAL   1          2HG1      VAL   1  11.923   7.076  -3.133
    7   HG13  VAL   1          3HG1      VAL   1  13.491   7.024  -2.296
    8   HG21  VAL   1          3HG2      VAL   1  13.419   6.162  -5.185
    9   HG22  VAL   1          1HG2      VAL   1  14.802   7.147  -5.721
   10   HG23  VAL   1          2HG2      VAL   1  14.835   6.353  -4.138
   11    H    CYS   2           H        CYS   2  12.778  10.872  -3.671
   12    HA   CYS   2           HA       CYS   2   9.763  11.455  -3.420
   13    HB2  CYS   2           1HB      CYS   2  10.013  11.013  -1.021
   14    HB3  CYS   2           2HB      CYS   2  10.672   9.618  -1.844
   15    H    CYS   3           H        CYS   3   9.748  13.044  -1.243
   16    HA   CYS   3           HA       CYS   3  11.882  15.243  -1.540
   17    HB2  CYS   3           1HB      CYS   3   9.645  16.232  -1.677
   18    HB3  CYS   3           2HB      CYS   3   9.065  15.348  -0.267
   19    H    GLY   4           H        GLY   4  13.547  14.197  -0.445
   20    HA2  GLY   4           1HA      GLY   4  14.626  14.530   1.837
   21    HA3  GLY   4           2HA      GLY   4  13.185  13.953   2.613
   22    H    TYR   5           H        TYR   5  15.795  12.818   0.531
   23    HA   TYR   5           HA       TYR   5  16.655  10.660   2.179
   24    HB2  TYR   5           1HB      TYR   5  14.698   9.406   1.948
   25    HB3  TYR   5           2HB      TYR   5  14.353   9.869   0.351
   26    HD1  TYR   5           HD2      TYR   5  15.690   8.785  -1.632
   27    HD2  TYR   5           HD1      TYR   5  15.847   7.337   2.404
   28    HE1  TYR   5           HE2      TYR   5  16.442   6.565  -2.429
   29    HE2  TYR   5           HE1      TYR   5  16.657   5.144   1.568
   30    HH   TYR   5           HH       TYR   5  17.533   4.103  -0.209
   31    HA   PRO   6           HA       PRO   6  20.342  10.891  -0.515
   32    HB2  PRO   6           1HB      PRO   6  20.616   8.096  -1.271
   33    HB3  PRO   6           2HB      PRO   6  21.273   8.912   0.161
   34    HG2  PRO   6           1HG      PRO   6  18.579   7.498  -0.120
   35    HG3  PRO   6           2HG      PRO   6  19.853   7.185   1.112
   36    HD2  PRO   6           1HD      PRO   6  17.929   8.797   1.920
   37    HD3  PRO   6           2HD      PRO   6  19.551   9.488   2.050
   38    H    LEU   7           H        LEU   7  18.053   8.729  -2.191
   39    HA   LEU   7           HA       LEU   7  18.915   9.722  -4.912
   40    HB2  LEU   7           1HB      LEU   7  16.686   7.826  -4.056
   41    HB3  LEU   7           2HB      LEU   7  17.058   8.192  -5.700
   42    HG   LEU   7           HG       LEU   7  19.167   7.094  -5.721
   43   HD11  LEU   7          1HD1      LEU   7  20.155   7.407  -3.496
   44   HD12  LEU   7          2HD1      LEU   7  18.864   6.459  -2.710
   45   HD13  LEU   7          3HD1      LEU   7  20.028   5.682  -3.823
   46   HD21  LEU   7          3HD2      LEU   7  18.341   4.762  -5.372
   47   HD22  LEU   7          1HD2      LEU   7  17.052   5.337  -4.292
   48   HD23  LEU   7          2HD2      LEU   7  17.029   5.766  -6.016
   49    H    CYS   8           H        CYS   8  16.862  11.256  -2.777
   50    HA   CYS   8           HA       CYS   8  14.424  11.525  -4.411
   51    HB2  CYS   8           1HB      CYS   8  15.318  12.808  -1.770
   52    HB3  CYS   8           2HB      CYS   8  13.732  13.029  -2.477
   53    H    HIS   9           H        HIS   9  13.403  13.315  -5.202
   54    HA   HIS   9           HA       HIS   9  15.162  15.331  -6.621
   55    HB2  HIS   9           1HB      HIS   9  13.115  15.825  -7.991
   56    HB3  HIS   9           2HB      HIS   9  13.714  14.220  -8.143
   57    HD2  HIS   9           HD2      HIS   9  12.084  12.178  -7.028
   58    HE1  HIS   9           HE1      HIS   9   8.812  14.631  -6.202
   59    HE2  HIS   9           HE2      HIS   9   9.528  12.146  -6.289
   60    HA   HYP  10           HA       HYP  10  14.094  18.800  -4.022
   61    HB2  HYP  10           1HB      HYP  10  13.402  20.853  -5.905
   62    HB3  HYP  10           2HB      HYP  10  14.985  20.405  -5.273
   63    HG   HYP  10           HG       HYP  10  13.649  19.490  -7.861
   64   HD22  HYP  10          1HD       HYP  10  14.667  17.386  -7.809
   65   HD23  HYP  10          2HD       HYP  10  15.899  17.859  -6.614
   66    HD1  HYP  10           HG2      HYP  10  15.713  20.013  -8.596
   67    H    CYS  11           H        CYS  11  12.539  19.920  -2.957
   68    HA   CYS  11           HA       CYS  11   9.949  18.469  -2.944
   69    HB2  CYS  11           1HB      CYS  11  11.180  20.697  -1.159
   70    HB3  CYS  11           2HB      CYS  11   9.737  19.773  -0.749
   71    HXT  CYS  11           HO        OH  12   7.476  20.790  -3.505
  Start of MODEL   15
    1    H1   VAL   1           1H       VAL   1  14.368   9.308  -7.159
    2    H2   VAL   1           2H       VAL   1  14.215  10.547  -6.122
    3    HA   VAL   1           HA       VAL   1  12.446   8.183  -6.379
    4    HB   VAL   1           HB       VAL   1  14.530   8.982  -4.246
    5   HG11  VAL   1          1HG1      VAL   1  12.614   8.212  -2.891
    6   HG12  VAL   1          2HG1      VAL   1  12.367   6.798  -3.937
    7   HG13  VAL   1          3HG1      VAL   1  13.825   6.944  -2.930
    8   HG21  VAL   1          3HG2      VAL   1  14.138   6.458  -5.977
    9   HG22  VAL   1          1HG2      VAL   1  15.421   7.672  -6.142
   10   HG23  VAL   1          2HG2      VAL   1  15.362   6.636  -4.707
   11    H    CYS   2           H        CYS   2  12.793  11.014  -4.274
   12    HA   CYS   2           HA       CYS   2   9.776  11.245  -3.912
   13    HB2  CYS   2           1HB      CYS   2   9.941  10.569  -1.542
   14    HB3  CYS   2           2HB      CYS   2  10.628   9.267  -2.491
   15    H    CYS   3           H        CYS   3   9.630  12.584  -1.548
   16    HA   CYS   3           HA       CYS   3  11.784  14.768  -1.456
   17    HB2  CYS   3           1HB      CYS   3   9.456  15.674  -1.415
   18    HB3  CYS   3           2HB      CYS   3   9.025  14.636  -0.052
   19    H    GLY   4           H        GLY   4  13.323  14.511   0.081
   20    HA2  GLY   4           1HA      GLY   4  14.104  14.292   2.363
   21    HA3  GLY   4           2HA      GLY   4  12.667  13.406   2.790
   22    H    TYR   5           H        TYR   5  15.557  12.819   0.757
   23    HA   TYR   5           HA       TYR   5  16.458  10.422   2.191
   24    HB2  TYR   5           1HB      TYR   5  14.384   9.406   1.469
   25    HB3  TYR   5           2HB      TYR   5  14.475  10.067  -0.096
   26    HD1  TYR   5           HD2      TYR   5  15.943   8.953  -1.900
   27    HD2  TYR   5           HD1      TYR   5  15.471   7.296   2.032
   28    HE1  TYR   5           HE2      TYR   5  16.584   6.712  -2.745
   29    HE2  TYR   5           HE1      TYR   5  16.153   5.082   1.173
   30    HH   TYR   5           HH       TYR   5  16.350   3.827  -0.731
   31    HA   PRO   6           HA       PRO   6  20.326  10.951  -0.169
   32    HB2  PRO   6           1HB      PRO   6  20.658   8.244  -1.175
   33    HB3  PRO   6           2HB      PRO   6  21.187   8.910   0.377
   34    HG2  PRO   6           1HG      PRO   6  18.528   7.533  -0.258
   35    HG3  PRO   6           2HG      PRO   6  19.704   7.109   1.034
   36    HD2  PRO   6           1HD      PRO   6  17.713   8.636   1.825
   37    HD3  PRO   6           2HD      PRO   6  19.307   9.304   2.176
   38    H    LEU   7           H        LEU   7  18.338   8.849  -2.278
   39    HA   LEU   7           HA       LEU   7  19.281  10.209  -4.771
   40    HB2  LEU   7           1HB      LEU   7  17.090   8.137  -4.256
   41    HB3  LEU   7           2HB      LEU   7  17.527   8.711  -5.832
   42    HG   LEU   7           HG       LEU   7  19.796   7.782  -5.702
   43   HD11  LEU   7          1HD1      LEU   7  20.364   7.636  -3.320
   44   HD12  LEU   7          2HD1      LEU   7  18.974   6.570  -2.973
   45   HD13  LEU   7          3HD1      LEU   7  20.334   6.003  -3.964
   46   HD21  LEU   7          3HD2      LEU   7  19.038   5.421  -5.964
   47   HD22  LEU   7          1HD2      LEU   7  17.547   5.766  -5.056
   48   HD23  LEU   7          2HD2      LEU   7  17.819   6.517  -6.649
   49    H    CYS   8           H        CYS   8  16.898  11.340  -2.679
   50    HA   CYS   8           HA       CYS   8  14.661  11.737  -4.566
   51    HB2  CYS   8           1HB      CYS   8  15.167  12.538  -1.644
   52    HB3  CYS   8           2HB      CYS   8  13.676  12.896  -2.488
   53    H    HIS   9           H        HIS   9  13.572  13.628  -5.077
   54    HA   HIS   9           HA       HIS   9  15.388  15.787  -6.181
   55    HB2  HIS   9           1HB      HIS   9  13.476  16.311  -7.681
   56    HB3  HIS   9           2HB      HIS   9  14.027  14.689  -7.822
   57    HD2  HIS   9           HD2      HIS   9  12.259  12.703  -7.120
   58    HE1  HIS   9           HE1      HIS   9   8.946  15.201  -6.659
   59    HE2  HIS   9           HE2      HIS   9   9.599  12.708  -6.984
   60    HA   HYP  10           HA       HYP  10  13.921  19.232  -3.510
   61    HB2  HYP  10           1HB      HYP  10  12.934  21.101  -5.405
   62    HB3  HYP  10           2HB      HYP  10  14.616  20.878  -4.912
   63    HG   HYP  10           HG       HYP  10  13.164  19.526  -7.276
   64   HD22  HYP  10          1HD       HYP  10  14.890  17.837  -7.252
   65   HD23  HYP  10          2HD       HYP  10  15.874  18.720  -6.059
   66    HD1  HYP  10           HG2      HYP  10  15.573  21.029  -6.867
   67    H    CYS  11           H        CYS  11  12.139  19.899  -2.422
   68    HA   CYS  11           HA       CYS  11   9.653  18.226  -2.833
   69    HB2  CYS  11           1HB      CYS  11  10.534  20.063  -0.510
   70    HB3  CYS  11           2HB      CYS  11   9.241  18.858  -0.469
   71    HXT  CYS  11           HO        OH  12   7.965  20.813  -4.411
  Start of MODEL   16
    1    H1   VAL   1           1H       VAL   1  13.954   9.025  -6.728
    2    H2   VAL   1           2H       VAL   1  14.134  10.258  -5.686
    3    HA   VAL   1           HA       VAL   1  12.327   7.936  -5.523
    4    HB   VAL   1           HB       VAL   1  14.614   8.964  -3.723
    5   HG11  VAL   1          1HG1      VAL   1  12.878   8.229  -2.110
    6   HG12  VAL   1          2HG1      VAL   1  12.629   6.715  -3.006
    7   HG13  VAL   1          3HG1      VAL   1  14.169   7.044  -2.180
    8   HG21  VAL   1          3HG2      VAL   1  14.125   6.252  -5.131
    9   HG22  VAL   1          1HG2      VAL   1  15.278   7.497  -5.654
   10   HG23  VAL   1          2HG2      VAL   1  15.520   6.656  -4.114
   11    H    CYS   2           H        CYS   2  12.823  10.744  -3.420
   12    HA   CYS   2           HA       CYS   2   9.792  10.990  -2.988
   13    HB2  CYS   2           1HB      CYS   2  10.138  10.504  -0.627
   14    HB3  CYS   2           2HB      CYS   2  10.894   9.186  -1.500
   15    H    CYS   3           H        CYS   3  10.087  12.495  -0.549
   16    HA   CYS   3           HA       CYS   3  11.739  14.972  -1.285
   17    HB2  CYS   3           1HB      CYS   3   9.349  15.499  -1.644
   18    HB3  CYS   3           2HB      CYS   3   8.917  14.883  -0.052
   19    H    GLY   4           H        GLY   4  13.278  13.479  -0.061
   20    HA2  GLY   4           1HA      GLY   4  14.340  14.519   2.265
   21    HA3  GLY   4           2HA      GLY   4  13.041  13.608   3.010
   22    H    TYR   5           H        TYR   5  15.737  13.010   0.759
   23    HA   TYR   5           HA       TYR   5  17.020  10.967   2.303
   24    HB2  TYR   5           1HB      TYR   5  15.220   9.476   2.117
   25    HB3  TYR   5           2HB      TYR   5  14.772   9.918   0.540
   26    HD1  TYR   5           HD2      TYR   5  16.127   8.989  -1.511
   27    HD2  TYR   5           HD1      TYR   5  16.734   7.620   2.518
   28    HE1  TYR   5           HE2      TYR   5  17.065   6.850  -2.344
   29    HE2  TYR   5           HE1      TYR   5  17.725   5.540   1.647
   30    HH   TYR   5           HH       TYR   5  17.756   4.193  -0.221
   31    HA   PRO   6           HA       PRO   6  20.503  11.761  -0.519
   32    HB2  PRO   6           1HB      PRO   6  21.132   9.028  -1.315
   33    HB3  PRO   6           2HB      PRO   6  21.711   9.917   0.108
   34    HG2  PRO   6           1HG      PRO   6  19.216   8.161  -0.118
   35    HG3  PRO   6           2HG      PRO   6  20.565   7.996   1.060
   36    HD2  PRO   6           1HD      PRO   6  18.509   9.348   1.979
   37    HD3  PRO   6           2HD      PRO   6  20.021  10.257   2.037
   38    H    LEU   7           H        LEU   7  18.561   9.257  -2.149
   39    HA   LEU   7           HA       LEU   7  19.139  10.359  -4.902
   40    HB2  LEU   7           1HB      LEU   7  17.238   8.172  -3.942
   41    HB3  LEU   7           2HB      LEU   7  17.468   8.589  -5.604
   42    HG   LEU   7           HG       LEU   7  19.748   7.819  -5.696
   43   HD11  LEU   7          1HD1      LEU   7  20.674   8.194  -3.437
   44   HD12  LEU   7          2HD1      LEU   7  19.546   7.021  -2.713
   45   HD13  LEU   7          3HD1      LEU   7  20.814   6.491  -3.844
   46   HD21  LEU   7          3HD2      LEU   7  19.243   5.383  -5.395
   47   HD22  LEU   7          1HD2      LEU   7  17.874   5.768  -4.330
   48   HD23  LEU   7          2HD2      LEU   7  17.823   6.223  -6.049
   49    H    CYS   8           H        CYS   8  16.856  11.404  -2.613
   50    HA   CYS   8           HA       CYS   8  14.383  11.397  -4.196
   51    HB2  CYS   8           1HB      CYS   8  15.189  12.773  -1.571
   52    HB3  CYS   8           2HB      CYS   8  13.577  12.824  -2.247
   53    H    HIS   9           H        HIS   9  13.277  12.934  -5.241
   54    HA   HIS   9           HA       HIS   9  14.878  15.052  -6.603
   55    HB2  HIS   9           1HB      HIS   9  12.957  15.281  -8.107
   56    HB3  HIS   9           2HB      HIS   9  13.465  13.638  -7.983
   57    HD2  HIS   9           HD2      HIS   9  11.688  11.924  -6.515
   58    HE1  HIS   9           HE1      HIS   9   8.453  14.540  -6.746
   59    HE2  HIS   9           HE2      HIS   9   9.058  12.140  -6.067
   60    HA   HYP  10           HA       HYP  10  13.552  18.750  -4.344
   61    HB2  HYP  10           1HB      HYP  10  12.890  20.544  -6.434
   62    HB3  HYP  10           2HB      HYP  10  14.509  20.165  -5.831
   63    HG   HYP  10           HG       HYP  10  13.021  18.761  -8.143
   64   HD22  HYP  10          1HD       HYP  10  14.469  16.913  -7.894
   65   HD23  HYP  10          2HD       HYP  10  15.565  17.773  -6.773
   66    HD1  HYP  10           HG2      HYP  10  15.242  20.402  -7.777
   67    H    CYS  11           H        CYS  11  11.798  19.346  -3.298
   68    HA   CYS  11           HA       CYS  11   9.204  18.062  -3.778
   69    HB2  CYS  11           1HB      CYS  11   9.844  20.289  -1.746
   70    HB3  CYS  11           2HB      CYS  11   8.640  19.006  -1.606
   71    HXT  CYS  11           HO        OH  12   7.390  20.343  -5.572