*HEADER    HORMONE/GROWTH FACTOR                   09-NOV-04   1XY8              
*TITLE     NMR STRCUTRE OF SST1-SELECTIVE SOMATOSTATIN (SRIF) ANALOG 1           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SST1-SELECTIVE SOMATOSATIN ANALOG;                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: SRIF;                                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: PEPTIDE SYNTHESISED USING SOLID PHASE                 
*SOURCE   4 APPROACH EITHER MANUALLY OR ON A CS-BIOPEPTIDE SYNTHESIZER           
*SOURCE   5 MODEL CS536                                                          
*KEYWDS    GAMMA TURN                                                            
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    C.R.R.GRACE, L.DURRER, S.C.KOERBER, J.ERCHEGYI, J.C.REUBI,            
*AUTHOR   2 J.E.RIVIER, R.RIEK                                                   
*REVDAT   1   15-FEB-05 1XY8    0                                                


 10 HHKB HA     10 HHKB QD      6.38 
 10 HHKB HN     10 HHKB HA      2.83 
 10 HHKB HN     10 HHKB QB      3.80 
 10 HHKB HN     10 HHKB QG      4.89 
 10 HHKB QB     10 HHKB HH      6.38 
 10 HHKB QD     10 HHKB HH      4.49 
 10 HHKB QG     11 SER  QB      7.25 
 11 SER  HN     11 SER  HA      2.83 
 12 CYSS HN     12 CYSS HA      2.80 
  1 TYR  HA      1 TYR  HB2     3.05 
  1 TYR  HA      1 TYR  HB3     3.05 
  1 TYR  HA      2 CYSS HN      2.90 
  1 TYR  HB2     2 CYSS HN      3.52 
  1 TYR  HB3     2 CYSS HN      3.52 
  1 TYR  QB      2 CYSS HN      3.27 
  1 TYR  QE      3 LYS  QB      8.51 
  1 TYR  QE      3 LYS  QG      8.51 
  2 CYSS HA     12 CYSS HN      3.36 
  2 CYSS HA      3 LYS  HN      3.55 
  2 CYSS HB2    11 SER  HA      5.50 
  2 CYSS HB2     3 LYS  HN      3.67 
  2 CYSS HB2     3 LYS  QB      6.38 
  2 CYSS HB3    11 SER  HA      5.50 
  2 CYSS HB3     3 LYS  HN      3.67 
  2 CYSS HB3     3 LYS  QB      6.38 
  2 CYSS HN      2 CYSS HB2     3.52 
  2 CYSS HN      2 CYSS HB3     3.52 
  2 CYSS HN      2 CYSS QB      3.27 
  2 CYSS HN      3 LYS  HN      3.14 
  2 CYSS QB     11 SER  HA      5.12 
  2 CYSS QB      3 LYS  HN      3.44 
  2 CYSS QB      4 PHE  QD      8.25 
  2 CYSS QB      4 PHE  QE      8.50 
  3 LYS  HA      3 LYS  QD      6.04 
  3 LYS  HA      4 PHE  HN      2.83 
  3 LYS  HN      3 LYS  QD      6.38 
  3 LYS  HN      3 LYS  QG      5.23 
  3 LYS  QB     11 SER  QB      7.25 
  3 LYS  QB      3 LYS  QE      6.76 
  3 LYS  QB      4 PHE  HA      5.07 
  3 LYS  QB      4 PHE  HN      4.76 
  3 LYS  QB      4 PHE  QD      8.50 
  3 LYS  QD     11 SER  QB      7.25 
  3 LYS  QG     11 SER  QB      7.25 
  3 LYS  QG      4 PHE  HA      6.38 
  3 LYS  QG      4 PHE  HN      6.38 
  3 LYS  QG      5 EBR  QG      7.25 
  4 PHE  HA     11 SER  HA      5.50 
  4 PHE  HA     11 SER  HN      3.92 
  4 PHE  HA      9 PHE  HA      3.24 
  4 PHE  HB2     5 EBR  HN      3.39 
  4 PHE  HB3     5 EBR  HN      3.39 
  4 PHE  HN      4 PHE  HB2     3.45 
  4 PHE  HN      4 PHE  HB3     3.45 
  4 PHE  HN      5 EBR  HN      3.52 
  5 EBR  HA     10 HHKB HH      5.50 
  5 EBR  HA      5 EBR  HB2     2.83 
  5 EBR  HA      5 EBR  HB3     2.83 
  5 EBR  HA      5 EBR  QB      2.60 
  5 EBR  HA      6 DTRP HN      2.93 
  5 EBR  HA      7 IAMP QK      8.17 
  5 EBR  HA      8 THR  QG2     6.53 
  5 EBR  HA      9 PHE  QB      4.83 
  5 EBR  HB2    10 HHKB HH      4.01 
  5 EBR  HB2     6 DTRP HD1     5.50 
  5 EBR  HB2     6 DTRP HN      4.60 
  5 EBR  HB2     7 IAMP QK      6.87 
  5 EBR  HB2     8 THR  QG2     5.07 
  5 EBR  HB3    10 HHKB HH      4.01 
  5 EBR  HB3     6 DTRP HD1     5.50 
  5 EBR  HB3     6 DTRP HN      4.60 
  5 EBR  HB3     7 IAMP QK      6.87 
  5 EBR  HB3     8 THR  QG2     5.07 
  5 EBR  HN      5 EBR  HB2     4.14 
  5 EBR  HN      5 EBR  HB3     4.14 
  5 EBR  HN      5 EBR  QB      3.54 
  5 EBR  HN      5 EBR  QG      6.38 
  5 EBR  HN      9 PHE  HA      5.07 
  5 EBR  QB     10 HHKB HH      3.39 
  5 EBR  QB      7 IAMP QK      6.49 
  5 EBR  QB      8 THR  QG2     4.93 
  5 EBR  QG     10 HHKB HH      4.30 
  5 EBR  QG      6 DTRP HD1     6.38 
  5 EBR  QG      6 DTRP HN      6.38 
  5 EBR  QG      7 IAMP QK      9.04 
  5 EBR  QG      8 THR  QG2     7.40 
  6 DTRP HA      6 DTRP HD1     4.48 
  6 DTRP HA      6 DTRP HE3     4.29 
  6 DTRP HA      7 IAMP HN      2.83 
  6 DTRP HA      8 THR  HN      4.63 
  6 DTRP HD1     7 IAMP QK      8.17 
  6 DTRP HN      7 IAMP HN      3.11 
  6 DTRP QB      7 IAMP HN      4.42 
  7 IAMP HA      7 IAMP HB2     2.93 
  7 IAMP HA      7 IAMP HB3     2.93 
  7 IAMP HA      7 IAMP QB      2.68 
  7 IAMP HA      8 THR  QG2     5.69 
  7 IAMP HB2     8 THR  HN      4.66 
  7 IAMP HB3     8 THR  HN      4.66 
  7 IAMP HN      7 IAMP HB2     3.58 
  7 IAMP HN      7 IAMP HB3     3.58 
  7 IAMP HN      7 IAMP QB      3.25 
  7 IAMP HN      8 THR  HN      3.05 
  7 IAMP HN      8 THR  QG2     6.53 
  7 IAMP QB      8 THR  HN      4.05 
  7 IAMP QB      8 THR  QG2     7.41 
  7 IAMP QD      7 IAMP QK     10.29 
  7 IAMP QE      7 IAMP QK     10.29 
  8 THR  HA      8 THR  HB      2.80 
  8 THR  HA      9 PHE  HN      3.17 
  8 THR  HB     10 HHKB QD      6.38 
  8 THR  HB     10 HHKB QG      5.97 
  8 THR  HB      9 PHE  HN      3.17 
  8 THR  HN      8 THR  HB      3.36 
  8 THR  HN      8 THR  QG2     4.20 
  8 THR  HN      9 PHE  HN      4.66 
  8 THR  QG2    10 HHKB HA      6.34 
  8 THR  QG2    10 HHKB HH      6.53 
  8 THR  QG2    10 HHKB QB      6.94 
  8 THR  QG2     9 PHE  HN      4.61 
  9 PHE  HA     10 HHKB HN      3.02 
  9 PHE  HA     10 HHKB QB      5.69 
  9 PHE  HA      9 PHE  HB2     2.99 
  9 PHE  HA      9 PHE  HB3     2.99 
  9 PHE  HA      9 PHE  QB      2.76 
  9 PHE  HB2    10 HHKB HN      4.60 
  9 PHE  HB3    10 HHKB HN      4.60 
  9 PHE  HN     10 HHKB HN      3.05 
  9 PHE  HN      9 PHE  HB2     3.70 
  9 PHE  HN      9 PHE  HB3     3.70 
  9 PHE  HN      9 PHE  QB      3.47 
  9 PHE  QB     10 HHKB HN      4.38 



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    TYR   1          1H        TYR   1   5.202  -7.948  -2.878
    2    HA   TYR   1           HA       TYR   1   6.348  -8.346  -0.458
    3   2HB   TYR   1          2HB       TYR   1   7.115  -6.087   0.205
    4    HD1  TYR   1           HD1      TYR   1   9.192  -7.472   0.108
    5    HD2  TYR   1           HD2      TYR   1   7.708  -5.390  -3.321
    6    HE1  TYR   1           HE1      TYR   1  11.451  -7.724  -1.032
    7    HE2  TYR   1           HE2      TYR   1   9.972  -5.649  -4.450
    8    HH   TYR   1           HH       TYR   1  12.573  -6.034  -3.194
    9    H    CYS   2           H        CYS   2   5.232  -6.735   1.318
   10    HA   CYS   2           HA       CYS   2   2.434  -6.825   0.569
   11   2HB   CYS   2          2HB       CYS   2   2.362  -6.140   3.158
   12    H    LYS   3           H        LYS   3   3.771  -4.615   3.030
   13    HA   LYS   3           HA       LYS   3   3.752  -2.418   3.237
   14   2HB   LYS   3          2HB       LYS   3   4.058  -1.068   1.036
   15   2HG   LYS   3          2HG       LYS   3   6.081  -3.215   1.831
   16   2HD   LYS   3          2HD       LYS   3   6.671  -0.423   0.795
   17   2HE   LYS   3          2HE       LYS   3   8.362  -2.853   0.273
   18   1HZ   LYS   3          1HZ       LYS   3   8.837   0.002   0.913
   19   2HZ   LYS   3          2HZ       LYS   3  10.053  -1.081   0.868
   20    H    PHE   4           H        PHE   4   2.292  -0.619   3.302
   21    HA   PHE   4           HA       PHE   4  -0.398  -1.404   2.910
   22   2HB   PHE   4          2HB       PHE   4  -0.638   1.151   3.553
   23    HD1  PHE   4           HD1      PHE   4   1.530   1.496   5.909
   24    HD2  PHE   4           HD2      PHE   4  -1.205  -1.529   4.735
   25    HE1  PHE   4           HE1      PHE   4   1.421   0.673   8.280
   26    HE2  PHE   4           HE2      PHE   4  -1.315  -2.350   7.105
   27    HZ   PHE   4           HZ       PHE   4   0.001  -1.239   8.848
   28    H    GLU   5           H        GLU   5   1.017   1.726   1.793
   29    HA   GLU   5           HA       GLU   5   0.998   1.456  -0.837
   30   1HB   GLU   5          1HB       GLU   5  -1.754   1.222   0.113
   31   2HB   GLU   5          2HB       GLU   5  -1.593   2.604  -0.954
   32   1HG   GLU   5          1HG       GLU   5  -0.105   0.662  -2.289
   33   2HG   GLU   5          2HG       GLU   5  -1.392  -0.291  -1.574
   34    H    DTR   6           H        DTR   6   0.501   3.659  -2.034
   35    HA   DTR   6           HA       DTR   6   0.811   5.906  -2.147
   36   1HB   DTR   6          1HB       DTR   6   2.537   6.787  -0.680
   37   2HB   DTR   6          2HB       DTR   6   2.403   5.391   0.371
   38    HD1  DTR   6           HD1      DTR   6   3.147   2.937  -0.889
   39    HE1  DTR   6           HE1      DTR   6   5.080   2.396  -2.602
   40    HZ2  DTR   6           HZ2      DTR   6   6.632   3.996  -4.383
   41    HH2  DTR   6           HH2      DTR   6   6.936   6.380  -5.146
   42    HZ3  DTR   6           HZ3      DTR   6   5.549   8.151  -4.194
   43    HE3  DTR   6           HE3      DTR   6   3.803   7.727  -2.466
   44    H    IAM   7           H        IAM   7  -1.707   5.341  -1.147
   45    HA   IAM   7           HA       IAM   7  -1.919   7.030   1.247
   46    HB   IAM   7           HB       IAM   7  -4.282   7.437   0.006
   47    HD1  IAM   7           HD1      IAM   7  -4.955   5.441  -1.360
   48    HE1  IAM   7           HE1      IAM   7  -5.197   4.598  -3.712
   49    HE2  IAM   7           HE2      IAM   7  -2.186   7.300  -4.991
   50    HD2  IAM   7           HD2      IAM   7  -1.947   8.145  -2.640
   51   1HT   IAM   7          1HT       IAM   7  -4.400   6.098  -6.500
   52   2HT   IAM   7          2HT       IAM   7  -4.376   4.449  -5.912
   53    HH   IAM   7           HH       IAM   7  -2.149   5.865  -7.201
   54    HI   IAM   7           HI       IAM   7  -0.939   4.342  -5.417
   55   1HB   IAM   7          1HB       IAM   7  -2.872   8.360  -0.469
   56   1HK1  IAM   7          1HK1      IAM   7  -1.756   3.093  -8.048
   57   2HK1  IAM   7          2HK1      IAM   7  -0.402   4.177  -7.829
   58   3HK1  IAM   7          3HK1      IAM   7  -0.394   2.602  -7.070
   59   1HK2  IAM   7          1HK2      IAM   7  -3.238   2.541  -6.157
   60   2HK2  IAM   7          2HK2      IAM   7  -1.934   2.175  -5.055
   61   3HK2  IAM   7          3HK2      IAM   7  -3.113   3.394  -4.637
   62    H    THR   8           H        THR   8  -3.214   4.286  -0.683
   63    HA   THR   8           HA       THR   8  -5.202   3.625   1.266
   64    HB   THR   8           HB       THR   8  -5.070   1.443  -0.292
   65    HG1  THR   8           HG1      THR   8  -3.330   1.791  -1.628
   66   1HG2  THR   8          1HG2      THR   8  -6.283   4.091  -0.644
   67   2HG2  THR   8          2HG2      THR   8  -5.844   3.383  -2.217
   68   3HG2  THR   8          3HG2      THR   8  -6.925   2.500  -1.113
   69    H    PHE   9           H        PHE   9  -5.053   0.940   1.692
   70    HA   PHE   9           HA       PHE   9  -2.441   0.501   2.913
   71   2HB   PHE   9          2HB       PHE   9  -4.608  -0.452   4.618
   72    HD1  PHE   9           HD1      PHE   9  -2.510   2.628   4.259
   73    HD2  PHE   9           HD2      PHE   9  -3.652  -0.655   6.696
   74    HE1  PHE   9           HE1      PHE   9  -0.902   3.383   6.033
   75    HE2  PHE   9           HE2      PHE   9  -2.044   0.101   8.468
   76    HZ   PHE   9           HZ       PHE   9  -0.688   2.109   8.116
   77    H    HHK  10           H        HHK  10  -3.772  -0.588   0.500
   78    HA   HHK  10           HA       HHK  10  -4.888  -3.102   1.134
   79   2HB   HHK  10          2HB       HHK  10  -4.011  -1.654  -1.318
   80   1HB   HHK  10          1HB       HHK  10  -4.106  -3.401  -1.425
   81   2HD   HHK  10          2HD       HHK  10  -7.445  -0.981  -0.372
   82   1HD   HHK  10          1HD       HHK  10  -5.782  -0.446  -0.227
   83   2HZ   HHK  10          2HZ       HHK  10  -5.400   1.412  -2.708
   84   1HZ   HHK  10          1HZ       HHK  10  -4.543   0.212  -1.772
   85   2HT   HHK  10          2HT       HHK  10  -5.144  -1.177  -4.063
   86   1HT   HHK  10          1HT       HHK  10  -4.850   0.429  -4.685
   87   1HH   HHK  10          1HH       HHK  10  -2.974  -0.455  -2.735
   88    H    SER  11           H        SER  11  -3.169  -3.587   2.843
   89    HA   SER  11           HA       SER  11  -0.572  -4.145   2.030
   90   2HB   SER  11          2HB       SER  11  -0.941  -3.838   4.359
   91    HG   SER  11           HG       SER  11  -2.355  -5.485   5.502
   92    H    CYS  12           H        CYS  12  -0.304  -5.529   0.268
   93    HA   CYS  12           HA       CYS  12  -0.541  -7.309  -1.027
   94   2HB   CYS  12          2HB       CYS  12   1.019  -8.446   0.134
  Start of MODEL    2
    1   1H    TYR   1          1H        TYR   1   6.447  -7.430  -2.029
    2    HA   TYR   1           HA       TYR   1   6.035  -8.976   0.433
    3   2HB   TYR   1          2HB       TYR   1   6.854  -6.993   1.661
    4    HD1  TYR   1           HD1      TYR   1   8.583  -8.834   1.899
    5    HD2  TYR   1           HD2      TYR   1   8.735  -5.928  -1.238
    6    HE1  TYR   1           HE1      TYR   1  11.035  -9.379   1.502
    7    HE2  TYR   1           HE2      TYR   1  11.186  -6.483  -1.625
    8    HH   TYR   1           HH       TYR   1  12.613  -8.765  -1.131
    9    H    CYS   2           H        CYS   2   4.730  -7.121   1.969
   10    HA   CYS   2           HA       CYS   2   2.211  -7.043   0.684
   11   2HB   CYS   2          2HB       CYS   2   1.972  -5.481   2.947
   12    H    LYS   3           H        LYS   3   3.653  -4.271   2.488
   13    HA   LYS   3           HA       LYS   3   3.983  -2.152   1.954
   14   2HB   LYS   3          2HB       LYS   3   3.908  -1.831  -0.787
   15   2HG   LYS   3          2HG       LYS   3   6.478  -2.448  -0.479
   16   2HD   LYS   3          2HD       LYS   3   4.853  -0.162   0.550
   17   2HE   LYS   3          2HE       LYS   3   6.935   0.938   1.468
   18   1HZ   LYS   3          1HZ       LYS   3   6.950  -0.914   3.427
   19   2HZ   LYS   3          2HZ       LYS   3   5.815   0.247   3.300
   20    H    PHE   4           H        PHE   4   2.348  -0.862   2.597
   21    HA   PHE   4           HA       PHE   4  -0.308  -1.328   1.820
   22   2HB   PHE   4          2HB       PHE   4  -0.441   1.102   2.897
   23    HD1  PHE   4           HD1      PHE   4  -1.609  -1.405   3.584
   24    HD2  PHE   4           HD2      PHE   4   1.725   0.515   5.371
   25    HE1  PHE   4           HE1      PHE   4  -2.052  -2.632   5.728
   26    HE2  PHE   4           HE2      PHE   4   1.283  -0.711   7.515
   27    HZ   PHE   4           HZ       PHE   4  -0.601  -2.270   7.668
   28    H    GLU   5           H        GLU   5   1.135   1.939   1.505
   29    HA   GLU   5           HA       GLU   5   1.469   2.216  -1.104
   30   1HB   GLU   5          1HB       GLU   5  -1.361   1.705  -0.608
   31   2HB   GLU   5          2HB       GLU   5  -1.149   3.286  -1.336
   32   1HG   GLU   5          1HG       GLU   5   0.597   1.766  -2.853
   33   2HG   GLU   5          2HG       GLU   5  -0.646   0.586  -2.491
   34    H    DTR   6           H        DTR   6   0.284   4.660  -1.805
   35    HA   DTR   6           HA       DTR   6   0.617   6.880  -1.442
   36   1HB   DTR   6          1HB       DTR   6   2.284   7.565   0.068
   37   2HB   DTR   6          2HB       DTR   6   2.089   6.146   1.079
   38    HD1  DTR   6           HD1      DTR   6   3.224   3.818   0.132
   39    HE1  DTR   6           HE1      DTR   6   5.199   3.303  -1.539
   40    HZ2  DTR   6           HZ2      DTR   6   6.548   4.850  -3.523
   41    HH2  DTR   6           HH2      DTR   6   6.573   7.146  -4.565
   42    HZ3  DTR   6           HZ3      DTR   6   4.993   8.847  -3.799
   43    HE3  DTR   6           HE3      DTR   6   3.316   8.432  -2.002
   44    H    IAM   7           H        IAM   7  -1.878   5.967  -0.765
   45    HA   IAM   7           HA       IAM   7  -2.339   7.078   1.914
   46    HB   IAM   7           HB       IAM   7  -4.686   7.496   0.711
   47    HD1  IAM   7           HD1      IAM   7  -2.027   8.250  -1.747
   48    HE1  IAM   7           HE1      IAM   7  -2.233   7.724  -4.192
   49    HE2  IAM   7           HE2      IAM   7  -5.854   5.642  -3.439
   50    HD2  IAM   7           HD2      IAM   7  -5.646   6.167  -0.994
   51   1HT   IAM   7          1HT       IAM   7  -4.535   7.197  -5.970
   52   2HT   IAM   7          2HT       IAM   7  -4.871   5.524  -5.582
   53    HH   IAM   7           HH       IAM   7  -2.012   6.454  -5.681
   54    HI   IAM   7           HI       IAM   7  -2.985   3.904  -6.437
   55   1HB   IAM   7          1HB       IAM   7  -3.356   8.583   0.365
   56   1HK1  IAM   7          1HK1      IAM   7  -1.064   5.656  -7.981
   57   2HK1  IAM   7          2HK1      IAM   7  -0.624   4.606  -6.656
   58   3HK1  IAM   7          3HK1      IAM   7  -1.216   3.923  -8.151
   59   1HK2  IAM   7          1HK2      IAM   7  -3.571   4.248  -8.831
   60   2HK2  IAM   7          2HK2      IAM   7  -4.727   4.980  -7.744
   61   3HK2  IAM   7          3HK2      IAM   7  -3.544   5.973  -8.560
   62    H    THR   8           H        THR   8  -3.117   4.549  -0.493
   63    HA   THR   8           HA       THR   8  -5.165   3.348   1.089
   64    HB   THR   8           HB       THR   8  -4.507   1.433  -0.671
   65    HG1  THR   8           HG1      THR   8  -3.497   2.809  -2.505
   66   1HG2  THR   8          1HG2      THR   8  -6.074   2.338  -2.134
   67   2HG2  THR   8          2HG2      THR   8  -6.383   3.416  -0.752
   68   3HG2  THR   8          3HG2      THR   8  -5.330   3.954  -2.081
   69    H    PHE   9           H        PHE   9  -4.951   0.935   1.718
   70    HA   PHE   9           HA       PHE   9  -2.303   0.366   2.770
   71   2HB   PHE   9          2HB       PHE   9  -4.306  -0.260   4.771
   72    HD1  PHE   9           HD1      PHE   9  -2.401   2.880   4.074
   73    HD2  PHE   9           HD2      PHE   9  -2.875  -0.533   6.551
   74    HE1  PHE   9           HE1      PHE   9  -0.575   3.719   5.577
   75    HE2  PHE   9           HE2      PHE   9  -1.047   0.306   8.054
   76    HZ   PHE   9           HZ       PHE   9   0.081   2.421   7.549
   77    H    HHK  10           H        HHK  10  -3.961  -0.754   0.592
   78    HA   HHK  10           HA       HHK  10  -5.446  -2.932   1.226
   79   2HB   HHK  10          2HB       HHK  10  -3.784  -2.081  -1.062
   80   1HB   HHK  10          1HB       HHK  10  -4.066  -3.808  -0.972
   81   2HD   HHK  10          2HD       HHK  10  -7.155  -0.996  -1.727
   82   1HD   HHK  10          1HD       HHK  10  -5.737  -0.514  -0.818
   83   2HZ   HHK  10          2HZ       HHK  10  -4.390   1.036  -2.736
   84   1HZ   HHK  10          1HZ       HHK  10  -3.789  -0.168  -1.623
   85   2HT   HHK  10          2HT       HHK  10  -2.128  -0.635  -3.069
   86   1HT   HHK  10          1HT       HHK  10  -3.315  -1.156  -4.239
   87   1HH   HHK  10          1HH       HHK  10  -3.072   1.662  -4.018
   88    H    SER  11           H        SER  11  -1.877  -3.073   0.526
   89    HA   SER  11           HA       SER  11  -0.312  -4.382   1.264
   90   2HB   SER  11          2HB       SER  11  -2.151  -4.344   3.651
   91    HG   SER  11           HG       SER  11  -0.388  -5.522   4.796
   92    H    CYS  12           H        CYS  12   0.349  -6.575   1.022
   93    HA   CYS  12           HA       CYS  12  -1.359  -8.252  -0.306
   94   2HB   CYS  12          2HB       CYS  12   1.107  -8.378  -0.332
  Start of MODEL    3
    1   1H    TYR   1          1H        TYR   1   6.554  -7.451  -1.431
    2    HA   TYR   1           HA       TYR   1   6.445  -8.093   1.333
    3   2HB   TYR   1          2HB       TYR   1   6.445  -5.524   1.900
    4    HD1  TYR   1           HD1      TYR   1   9.425  -5.058   0.158
    5    HD2  TYR   1           HD2      TYR   1   7.776  -7.411   3.328
    6    HE1  TYR   1           HE1      TYR   1  11.756  -5.443   1.096
    7    HE2  TYR   1           HE2      TYR   1  10.113  -7.787   4.255
    8    HH   TYR   1           HH       TYR   1  12.467  -7.812   3.239
    9    H    CYS   2           H        CYS   2   4.598  -6.443   2.338
   10    HA   CYS   2           HA       CYS   2   2.338  -7.016   0.719
   11   2HB   CYS   2          2HB       CYS   2   1.232  -5.584   2.635
   12    H    LYS   3           H        LYS   3   4.386  -4.191   1.517
   13    HA   LYS   3           HA       LYS   3   4.271  -2.045   0.918
   14   2HB   LYS   3          2HB       LYS   3   5.313  -2.894  -1.025
   15   2HG   LYS   3          2HG       LYS   3   2.515  -3.685  -1.956
   16   2HD   LYS   3          2HD       LYS   3   4.715  -2.882  -3.534
   17   2HE   LYS   3          2HE       LYS   3   4.504  -5.913  -3.290
   18   1HZ   LYS   3          1HZ       LYS   3   4.404  -5.005  -5.661
   19   2HZ   LYS   3          2HZ       LYS   3   5.929  -4.477  -5.449
   20    H    PHE   4           H        PHE   4   2.562  -1.221   2.165
   21    HA   PHE   4           HA       PHE   4  -0.119  -1.592   1.611
   22   2HB   PHE   4          2HB       PHE   4  -0.154   0.761   2.866
   23    HD1  PHE   4           HD1      PHE   4  -1.380  -1.562   3.643
   24    HD2  PHE   4           HD2      PHE   4   2.448  -0.212   4.880
   25    HE1  PHE   4           HE1      PHE   4  -1.566  -2.947   5.729
   26    HE2  PHE   4           HE2      PHE   4   2.262  -1.597   6.964
   27    HZ   PHE   4           HZ       PHE   4   0.258  -2.949   7.364
   28    H    GLU   5           H        GLU   5   1.239   1.721   1.353
   29    HA   GLU   5           HA       GLU   5   1.220   2.178  -1.257
   30   1HB   GLU   5          1HB       GLU   5  -1.510   1.594  -0.425
   31   2HB   GLU   5          2HB       GLU   5  -1.411   3.233  -1.038
   32   1HG   GLU   5          1HG       GLU   5  -1.479   2.361  -3.132
   33   2HG   GLU   5          2HG       GLU   5   0.144   1.759  -2.861
   34    H    DTR   6           H        DTR   6   0.402   4.635  -1.767
   35    HA   DTR   6           HA       DTR   6   0.799   6.819  -1.283
   36   1HB   DTR   6          1HB       DTR   6   2.438   7.332   0.377
   37   2HB   DTR   6          2HB       DTR   6   2.218   5.787   1.172
   38    HD1  DTR   6           HD1      DTR   6   3.246   3.584  -0.182
   39    HE1  DTR   6           HE1      DTR   6   5.240   3.291  -1.885
   40    HZ2  DTR   6           HZ2      DTR   6   6.703   5.108  -3.529
   41    HH2  DTR   6           HH2      DTR   6   6.850   7.552  -4.134
   42    HZ3  DTR   6           HZ3      DTR   6   5.322   9.156  -3.099
   43    HE3  DTR   6           HE3      DTR   6   3.584   8.498  -1.437
   44    H    IAM   7           H        IAM   7  -1.751   5.924  -0.635
   45    HA   IAM   7           HA       IAM   7  -2.187   7.042   2.043
   46    HB   IAM   7           HB       IAM   7  -4.538   7.467   0.854
   47    HD1  IAM   7           HD1      IAM   7  -5.482   6.040  -0.801
   48    HE1  IAM   7           HE1      IAM   7  -5.726   5.478  -3.235
   49    HE2  IAM   7           HE2      IAM   7  -2.191   7.664  -4.093
   50    HD2  IAM   7           HD2      IAM   7  -1.950   8.227  -1.659
   51   1HT   IAM   7          1HT       IAM   7  -3.544   6.885  -5.870
   52   2HT   IAM   7          2HT       IAM   7  -5.152   6.263  -5.570
   53    HH   IAM   7           HH       IAM   7  -2.889   4.427  -4.932
   54    HI   IAM   7           HI       IAM   7  -3.829   3.012  -6.562
   55   1HB   IAM   7          1HB       IAM   7  -3.201   8.534   0.475
   56   1HK1  IAM   7          1HK1      IAM   7  -4.254   5.621  -8.033
   57   2HK1  IAM   7          2HK1      IAM   7  -2.788   4.673  -8.072
   58   3HK1  IAM   7          3HK1      IAM   7  -4.260   4.033  -8.761
   59   1HK2  IAM   7          1HK2      IAM   7  -6.012   3.964  -5.434
   60   2HK2  IAM   7          2HK2      IAM   7  -6.189   4.789  -6.964
   61   3HK2  IAM   7          3HK2      IAM   7  -6.115   3.044  -6.917
   62    H    THR   8           H        THR   8  -3.034   4.509  -0.343
   63    HA   THR   8           HA       THR   8  -4.982   3.313   1.412
   64    HB   THR   8           HB       THR   8  -4.641   1.501  -0.545
   65    HG1  THR   8           HG1      THR   8  -3.195   2.304  -2.016
   66   1HG2  THR   8          1HG2      THR   8  -6.332   2.571  -1.780
   67   2HG2  THR   8          2HG2      THR   8  -6.511   3.405  -0.218
   68   3HG2  THR   8          3HG2      THR   8  -5.617   4.184  -1.545
   69    H    PHE   9           H        PHE   9  -4.806   0.965   2.032
   70    HA   PHE   9           HA       PHE   9  -2.044   0.196   2.562
   71   2HB   PHE   9          2HB       PHE   9  -3.782  -0.397   4.831
   72    HD1  PHE   9           HD1      PHE   9  -1.505   2.386   3.790
   73    HD2  PHE   9           HD2      PHE   9  -2.302  -0.735   6.552
   74    HE1  PHE   9           HE1      PHE   9   0.605   2.945   5.030
   75    HE2  PHE   9           HE2      PHE   9  -0.193  -0.177   7.792
   76    HZ   PHE   9           HZ       PHE   9   1.235   1.655   7.015
   77    H    HHK  10           H        HHK  10  -4.118  -0.745   0.658
   78    HA   HHK  10           HA       HHK  10  -5.584  -2.878   1.461
   79   2HB   HHK  10          2HB       HHK  10  -4.239  -2.061  -1.058
   80   1HB   HHK  10          1HB       HHK  10  -4.721  -3.741  -0.959
   81   2HD   HHK  10          2HD       HHK  10  -7.498  -0.584  -1.332
   82   1HD   HHK  10          1HD       HHK  10  -5.956  -0.250  -0.569
   83   2HZ   HHK  10          2HZ       HHK  10  -4.642   1.088  -2.663
   84   1HZ   HHK  10          1HZ       HHK  10  -4.072  -0.132  -1.550
   85   2HT   HHK  10          2HT       HHK  10  -2.794  -1.147  -3.135
   86   1HT   HHK  10          1HT       HHK  10  -4.018  -0.971  -4.367
   87   1HH   HHK  10          1HH       HHK  10  -3.135   1.541  -3.810
   88    H    SER  11           H        SER  11  -2.136  -3.035   0.310
   89    HA   SER  11           HA       SER  11  -0.557  -4.479   0.675
   90   2HB   SER  11          2HB       SER  11  -0.729  -5.661   3.082
   91    HG   SER  11           HG       SER  11   0.575  -3.673   2.296
   92    H    CYS  12           H        CYS  12  -0.257  -7.006   1.744
   93    HA   CYS  12           HA       CYS  12  -1.241  -8.682  -0.088
   94   2HB   CYS  12          2HB       CYS  12  -0.715 -10.496   1.356
  Start of MODEL    4
    1   1H    TYR   1          1H        TYR   1   7.286  -9.139  -1.577
    2    HA   TYR   1           HA       TYR   1   6.500  -8.601   0.432
    3   2HB   TYR   1          2HB       TYR   1   7.328  -6.409   1.179
    4    HD1  TYR   1           HD1      TYR   1   9.030  -8.515   1.206
    5    HD2  TYR   1           HD2      TYR   1   9.024  -5.361  -1.683
    6    HE1  TYR   1           HE1      TYR   1  11.467  -8.995   0.666
    7    HE2  TYR   1           HE2      TYR   1  11.462  -5.852  -2.213
    8    HH   TYR   1           HH       TYR   1  13.098  -8.619  -0.766
    9    H    CYS   2           H        CYS   2   4.926  -7.201   1.754
   10    HA   CYS   2           HA       CYS   2   2.535  -6.984   0.209
   11   2HB   CYS   2          2HB       CYS   2   1.728  -6.115   2.576
   12    H    LYS   3           H        LYS   3   3.489  -4.660   2.779
   13    HA   LYS   3           HA       LYS   3   3.902  -2.474   2.735
   14   2HB   LYS   3          2HB       LYS   3   3.731  -1.826  -0.082
   15   2HG   LYS   3          2HG       LYS   3   5.091  -0.818   1.949
   16   2HD   LYS   3          2HD       LYS   3   6.286  -3.306   1.923
   17   2HE   LYS   3          2HE       LYS   3   7.698  -1.526  -0.031
   18   1HZ   LYS   3          1HZ       LYS   3   9.058  -1.943   2.204
   19   2HZ   LYS   3          2HZ       LYS   3   9.391  -3.362   1.478
   20    H    PHE   4           H        PHE   4   2.580  -0.591   2.830
   21    HA   PHE   4           HA       PHE   4  -0.191  -1.185   2.621
   22   2HB   PHE   4          2HB       PHE   4  -0.178   1.396   3.248
   23    HD1  PHE   4           HD1      PHE   4  -0.973  -1.212   4.455
   24    HD2  PHE   4           HD2      PHE   4   2.087   1.522   5.537
   25    HE1  PHE   4           HE1      PHE   4  -1.091  -2.019   6.828
   26    HE2  PHE   4           HE2      PHE   4   1.970   0.714   7.911
   27    HZ   PHE   4           HZ       PHE   4   0.382  -1.046   8.528
   28    H    GLU   5           H        GLU   5   1.195   1.932   1.520
   29    HA   GLU   5           HA       GLU   5   1.180   1.733  -1.113
   30   1HB   GLU   5          1HB       GLU   5  -1.564   1.373  -0.170
   31   2HB   GLU   5          2HB       GLU   5  -1.453   2.775  -1.213
   32   1HG   GLU   5          1HG       GLU   5   0.093   0.493  -2.263
   33   2HG   GLU   5          2HG       GLU   5  -1.600   0.095  -2.045
   34    H    DTR   6           H        DTR   6   0.143   3.999  -2.178
   35    HA   DTR   6           HA       DTR   6   0.322   6.261  -2.212
   36   1HB   DTR   6          1HB       DTR   6   2.223   7.184  -0.958
   37   2HB   DTR   6          2HB       DTR   6   2.399   5.667  -0.097
   38    HD1  DTR   6           HD1      DTR   6   2.606   3.463  -2.147
   39    HE1  DTR   6           HE1      DTR   6   4.352   3.310  -4.122
   40    HZ2  DTR   6           HZ2      DTR   6   5.932   5.245  -5.502
   41    HH2  DTR   6           HH2      DTR   6   6.425   7.717  -5.567
   42    HZ3  DTR   6           HZ3      DTR   6   5.294   9.224  -4.009
   43    HE3  DTR   6           HE3      DTR   6   3.640   8.439  -2.318
   44    H    IAM   7           H        IAM   7  -1.931   5.481  -0.814
   45    HA   IAM   7           HA       IAM   7  -1.779   6.902   1.746
   46    HB   IAM   7           HB       IAM   7  -4.293   7.478   0.883
   47    HD1  IAM   7           HD1      IAM   7  -5.183   5.819  -0.740
   48    HE1  IAM   7           HE1      IAM   7  -5.670   5.404  -3.168
   49    HE2  IAM   7           HE2      IAM   7  -2.658   8.193  -4.248
   50    HD2  IAM   7           HD2      IAM   7  -2.172   8.608  -1.820
   51   1HT   IAM   7          1HT       IAM   7  -4.479   5.468  -5.517
   52   2HT   IAM   7          2HT       IAM   7  -3.742   7.001  -5.929
   53    HH   IAM   7           HH       IAM   7  -5.893   7.905  -6.266
   54    HI   IAM   7           HI       IAM   7  -7.059   6.537  -4.060
   55   1HB   IAM   7          1HB       IAM   7  -2.934   8.490   0.439
   56   1HK1  IAM   7          1HK1      IAM   7  -7.043   4.837  -6.562
   57   2HK1  IAM   7          2HK1      IAM   7  -6.171   4.471  -5.093
   58   3HK1  IAM   7          3HK1      IAM   7  -7.918   4.475  -5.095
   59   1HK2  IAM   7          1HK2      IAM   7  -9.162   6.539  -5.447
   60   2HK2  IAM   7          2HK2      IAM   7  -8.390   8.099  -5.303
   61   3HK2  IAM   7          3HK2      IAM   7  -8.211   7.168  -6.771
   62    H    THR   8           H        THR   8  -3.514   4.554  -0.375
   63    HA   THR   8           HA       THR   8  -5.275   3.640   1.631
   64    HB   THR   8           HB       THR   8  -5.302   1.625  -0.094
   65    HG1  THR   8           HG1      THR   8  -3.325   2.074  -1.157
   66   1HG2  THR   8          1HG2      THR   8  -5.856   4.011  -1.730
   67   2HG2  THR   8          2HG2      THR   8  -6.987   2.770  -1.141
   68   3HG2  THR   8          3HG2      THR   8  -6.565   4.155  -0.105
   69    H    PHE   9           H        PHE   9  -5.165   0.997   1.949
   70    HA   PHE   9           HA       PHE   9  -2.470   0.416   2.920
   71   2HB   PHE   9          2HB       PHE   9  -4.347  -0.657   4.778
   72    HD1  PHE   9           HD1      PHE   9  -2.908   2.761   4.271
   73    HD2  PHE   9           HD2      PHE   9  -3.110  -0.706   6.712
   74    HE1  PHE   9           HE1      PHE   9  -1.297   3.805   5.887
   75    HE2  PHE   9           HE2      PHE   9  -1.499   0.339   8.327
   76    HZ   PHE   9           HZ       PHE   9  -0.611   2.582   7.895
   77    H    HHK  10           H        HHK  10  -3.993  -0.486   0.540
   78    HA   HHK  10           HA       HHK  10  -5.085  -3.037   1.108
   79   2HB   HHK  10          2HB       HHK  10  -4.395  -1.464  -1.345
   80   1HB   HHK  10          1HB       HHK  10  -4.654  -3.189  -1.509
   81   2HD   HHK  10          2HD       HHK  10  -7.837  -0.589  -1.353
   82   1HD   HHK  10          1HD       HHK  10  -6.413   0.033  -0.541
   83   2HZ   HHK  10          2HZ       HHK  10  -5.432   1.659  -2.461
   84   1HZ   HHK  10          1HZ       HHK  10  -4.502   0.508  -1.531
   85   2HT   HHK  10          2HT       HHK  10  -3.258  -0.174  -3.370
   86   1HT   HHK  10          1HT       HHK  10  -4.510   0.258  -4.509
   87   1HH   HHK  10          1HH       HHK  10  -3.542   2.479  -3.063
   88    H    SER  11           H        SER  11  -3.028  -3.395   2.605
   89    HA   SER  11           HA       SER  11  -0.677  -4.122   1.239
   90   2HB   SER  11          2HB       SER  11  -0.254  -3.533   3.451
   91    HG   SER  11           HG       SER  11  -2.201  -5.283   4.593
   92    H    CYS  12           H        CYS  12  -0.146  -6.067   0.278
   93    HA   CYS  12           HA       CYS  12  -0.219  -8.183  -0.309
   94   2HB   CYS  12          2HB       CYS  12  -0.743  -9.842   1.170
  Start of MODEL    5
    1   1H    TYR   1          1H        TYR   1   7.753  -7.331  -1.067
    2    HA   TYR   1           HA       TYR   1   6.639  -8.254   1.497
    3   2HB   TYR   1          2HB       TYR   1   6.990  -5.981   2.255
    4    HD1  TYR   1           HD1      TYR   1   8.986  -6.799   3.336
    5    HD2  TYR   1           HD2      TYR   1   9.081  -5.621  -0.775
    6    HE1  TYR   1           HE1      TYR   1  11.527  -6.842   3.375
    7    HE2  TYR   1           HE2      TYR   1  11.623  -5.666  -0.721
    8    HH   TYR   1           HH       TYR   1  13.391  -5.537   0.791
    9    H    CYS   2           H        CYS   2   4.568  -6.983   2.089
   10    HA   CYS   2           HA       CYS   2   2.843  -7.165  -0.214
   11   2HB   CYS   2          2HB       CYS   2   1.171  -6.495   1.778
   12    H    LYS   3           H        LYS   3   4.133  -4.786   2.158
   13    HA   LYS   3           HA       LYS   3   4.098  -2.579   2.235
   14   2HB   LYS   3          2HB       LYS   3   4.899  -3.267  -0.304
   15   2HG   LYS   3          2HG       LYS   3   2.828  -1.031  -0.519
   16   2HD   LYS   3          2HD       LYS   3   4.594  -2.376  -2.620
   17   2HE   LYS   3          2HE       LYS   3   2.192  -0.647  -2.755
   18   1HZ   LYS   3          1HZ       LYS   3   4.663   0.474  -3.525
   19   2HZ   LYS   3          2HZ       LYS   3   3.798   0.189  -4.875
   20    H    PHE   4           H        PHE   4   2.734  -0.553   1.897
   21    HA   PHE   4           HA       PHE   4  -0.064  -1.387   1.953
   22   2HB   PHE   4          2HB       PHE   4  -0.093   1.129   2.903
   23    HD1  PHE   4           HD1      PHE   4   2.327   0.452   5.166
   24    HD2  PHE   4           HD2      PHE   4  -1.350  -1.192   3.832
   25    HE1  PHE   4           HE1      PHE   4   2.027  -0.678   7.388
   26    HE2  PHE   4           HE2      PHE   4  -1.650  -2.321   6.053
   27    HZ   PHE   4           HZ       PHE   4   0.040  -2.051   7.804
   28    H    GLU   5           H        GLU   5   1.208   1.905   1.333
   29    HA   GLU   5           HA       GLU   5   1.197   2.070  -1.313
   30   1HB   GLU   5          1HB       GLU   5  -1.518   1.497  -0.437
   31   2HB   GLU   5          2HB       GLU   5  -1.470   3.076  -1.195
   32   1HG   GLU   5          1HG       GLU   5  -1.573   1.962  -3.179
   33   2HG   GLU   5          2HG       GLU   5   0.115   1.573  -2.916
   34    H    DTR   6           H        DTR   6   0.192   4.447  -2.061
   35    HA   DTR   6           HA       DTR   6   0.497   6.684  -1.818
   36   1HB   DTR   6          1HB       DTR   6   2.214   7.433  -0.334
   37   2HB   DTR   6          2HB       DTR   6   2.133   5.960   0.613
   38    HD1  DTR   6           HD1      DTR   6   3.307   3.740  -0.489
   39    HE1  DTR   6           HE1      DTR   6   5.145   3.362  -2.344
   40    HZ2  DTR   6           HZ2      DTR   6   6.238   5.019  -4.394
   41    HH2  DTR   6           HH2      DTR   6   6.062   7.339  -5.368
   42    HZ3  DTR   6           HZ3      DTR   6   4.482   8.942  -4.417
   43    HE3  DTR   6           HE3      DTR   6   2.994   8.403  -2.491
   44    H    IAM   7           H        IAM   7  -1.968   5.869  -0.963
   45    HA   IAM   7           HA       IAM   7  -2.262   7.128   1.673
   46    HB   IAM   7           HB       IAM   7  -4.663   7.524   0.609
   47    HD1  IAM   7           HD1      IAM   7  -5.774   6.050  -0.879
   48    HE1  IAM   7           HE1      IAM   7  -6.200   5.324  -3.245
   49    HE2  IAM   7           HE2      IAM   7  -2.646   7.282  -4.487
   50    HD2  IAM   7           HD2      IAM   7  -2.221   8.010  -2.122
   51   1HT   IAM   7          1HT       IAM   7  -5.763   5.773  -5.616
   52   2HT   IAM   7          2HT       IAM   7  -4.275   4.851  -5.603
   53    HH   IAM   7           HH       IAM   7  -4.573   7.680  -6.577
   54    HI   IAM   7           HI       IAM   7  -2.051   6.342  -6.249
   55   1HB   IAM   7          1HB       IAM   7  -3.342   8.536   0.060
   56   1HK1  IAM   7          1HK1      IAM   7  -3.110   7.804  -8.677
   57   2HK1  IAM   7          2HK1      IAM   7  -2.301   8.557  -7.322
   58   3HK1  IAM   7          3HK1      IAM   7  -1.426   7.454  -8.357
   59   1HK2  IAM   7          1HK2      IAM   7  -3.788   4.676  -7.583
   60   2HK2  IAM   7          2HK2      IAM   7  -2.938   5.464  -8.889
   61   3HK2  IAM   7          3HK2      IAM   7  -2.045   4.587  -7.671
   62    H    THR   8           H        THR   8  -3.085   4.414  -0.477
   63    HA   THR   8           HA       THR   8  -5.008   3.336   1.391
   64    HB   THR   8           HB       THR   8  -4.693   1.396  -0.444
   65    HG1  THR   8           HG1      THR   8  -3.268   2.109  -1.979
   66   1HG2  THR   8          1HG2      THR   8  -6.666   3.069  -0.246
   67   2HG2  THR   8          2HG2      THR   8  -5.763   4.099  -1.384
   68   3HG2  THR   8          3HG2      THR   8  -6.303   2.480  -1.886
   69    H    PHE   9           H        PHE   9  -4.808   1.182   2.348
   70    HA   PHE   9           HA       PHE   9  -2.024   0.405   2.777
   71   2HB   PHE   9          2HB       PHE   9  -3.531   0.015   5.196
   72    HD1  PHE   9           HD1      PHE   9  -1.930   0.085   6.836
   73    HD2  PHE   9           HD2      PHE   9  -1.666   2.861   3.637
   74    HE1  PHE   9           HE1      PHE   9   0.180   1.021   7.822
   75    HE2  PHE   9           HE2      PHE   9   0.445   3.796   4.623
   76    HZ   PHE   9           HZ       PHE   9   1.342   2.865   6.704
   77    H    HHK  10           H        HHK  10  -4.173  -0.710   1.067
   78    HA   HHK  10           HA       HHK  10  -5.590  -2.754   2.180
   79   2HB   HHK  10          2HB       HHK  10  -4.384  -2.255  -0.516
   80   1HB   HHK  10          1HB       HHK  10  -5.049  -3.843  -0.185
   81   2HD   HHK  10          2HD       HHK  10  -7.485  -0.641  -1.159
   82   1HD   HHK  10          1HD       HHK  10  -6.009  -0.165  -0.345
   83   2HZ   HHK  10          2HZ       HHK  10  -4.419   0.546  -2.540
   84   1HZ   HHK  10          1HZ       HHK  10  -4.025  -0.382  -1.114
   85   2HT   HHK  10          2HT       HHK  10  -2.516  -1.581  -2.277
   86   1HT   HHK  10          1HT       HHK  10  -3.745  -2.064  -3.421
   87   1HH   HHK  10          1HH       HHK  10  -2.868   0.616  -3.733
   88    H    SER  11           H        SER  11  -2.379  -3.225   0.536
   89    HA   SER  11           HA       SER  11  -0.664  -4.456   1.089
   90   2HB   SER  11          2HB       SER  11  -0.241  -5.200   3.308
   91    HG   SER  11           HG       SER  11  -2.214  -3.184   3.867
   92    H    CYS  12           H        CYS  12  -0.378  -6.319  -0.079
   93    HA   CYS  12           HA       CYS  12  -0.676  -8.337  -0.886
   94   2HB   CYS  12          2HB       CYS  12  -1.195 -10.077   0.496
  Start of MODEL    6
    1   1H    TYR   1          1H        TYR   1   8.056  -6.426   3.518
    2    HA   TYR   1           HA       TYR   1   6.226  -5.185   3.357
    3   2HB   TYR   1          2HB       TYR   1   5.989  -4.195   0.862
    4    HD1  TYR   1           HD1      TYR   1   9.214  -4.600   2.760
    5    HD2  TYR   1           HD2      TYR   1   6.274  -1.923   1.179
    6    HE1  TYR   1           HE1      TYR   1  10.501  -2.619   3.701
    7    HE2  TYR   1           HE2      TYR   1   7.570   0.048   2.127
    8    HH   TYR   1           HH       TYR   1   9.740  -0.174   4.453
    9    H    CYS   2           H        CYS   2   4.205  -4.743   1.569
   10    HA   CYS   2           HA       CYS   2   3.409  -7.350   0.567
   11   2HB   CYS   2          2HB       CYS   2   1.297  -5.918   2.066
   12    H    LYS   3           H        LYS   3   1.740  -4.198   1.276
   13    HA   LYS   3           HA       LYS   3   2.018  -3.142  -1.285
   14   2HB   LYS   3          2HB       LYS   3  -0.787  -4.136  -1.032
   15   2HG   LYS   3          2HG       LYS   3   0.503  -2.591  -2.874
   16   2HD   LYS   3          2HD       LYS   3   0.517  -5.333  -4.172
   17   2HE   LYS   3          2HE       LYS   3   1.895  -2.669  -4.767
   18   1HZ   LYS   3          1HZ       LYS   3   2.411  -5.335  -5.689
   19   2HZ   LYS   3          2HZ       LYS   3   2.061  -4.336  -6.927
   20    H    PHE   4           H        PHE   4   2.432  -2.090   1.190
   21    HA   PHE   4           HA       PHE   4   0.419  -0.997   2.603
   22   2HB   PHE   4          2HB       PHE   4   2.261   1.076   2.432
   23    HD1  PHE   4           HD1      PHE   4   2.197  -2.517   3.382
   24    HD2  PHE   4           HD2      PHE   4   3.331   1.422   4.484
   25    HE1  PHE   4           HE1      PHE   4   2.783  -3.329   5.684
   26    HE2  PHE   4           HE2      PHE   4   3.917   0.611   6.784
   27    HZ   PHE   4           HZ       PHE   4   3.636  -1.756   7.358
   28    H    GLU   5           H        GLU   5   1.533  -0.047  -0.653
   29    HA   GLU   5           HA       GLU   5   0.539   1.156  -2.182
   30   1HB   GLU   5          1HB       GLU   5  -1.634   0.677  -0.381
   31   2HB   GLU   5          2HB       GLU   5  -1.722   2.367  -0.834
   32   1HG   GLU   5          1HG       GLU   5  -1.144   0.494  -3.086
   33   2HG   GLU   5          2HG       GLU   5  -2.724   0.301  -2.355
   34    H    DTR   6           H        DTR   6  -0.479   3.662  -2.382
   35    HA   DTR   6           HA       DTR   6   0.113   5.849  -2.246
   36   1HB   DTR   6          1HB       DTR   6   2.388   6.359  -1.605
   37   2HB   DTR   6          2HB       DTR   6   2.581   4.782  -0.867
   38    HD1  DTR   6           HD1      DTR   6   1.786   2.751  -3.024
   39    HE1  DTR   6           HE1      DTR   6   2.948   2.490  -5.380
   40    HZ2  DTR   6           HZ2      DTR   6   4.518   4.237  -7.001
   41    HH2  DTR   6           HH2      DTR   6   5.473   6.570  -7.046
   42    HZ3  DTR   6           HZ3      DTR   6   5.072   8.086  -5.172
   43    HE3  DTR   6           HE3      DTR   6   3.737   7.443  -3.168
   44    H    IAM   7           H        IAM   7  -1.785   5.801  -0.578
   45    HA   IAM   7           HA       IAM   7  -0.718   6.553   2.046
   46    HB   IAM   7           HB       IAM   7  -3.093   7.650   2.125
   47    HD1  IAM   7           HD1      IAM   7  -5.054   6.498   1.354
   48    HE1  IAM   7           HE1      IAM   7  -6.687   6.135  -0.519
   49    HE2  IAM   7           HE2      IAM   7  -3.819   7.571  -3.297
   50    HD2  IAM   7           HD2      IAM   7  -2.187   7.935  -1.424
   51   1HT   IAM   7          1HT       IAM   7  -6.599   7.552  -3.591
   52   2HT   IAM   7          2HT       IAM   7  -7.224   6.137  -2.775
   53    HH   IAM   7           HH       IAM   7  -4.728   5.487  -4.113
   54    HI   IAM   7           HI       IAM   7  -7.438   4.799  -4.932
   55   1HB   IAM   7          1HB       IAM   7  -1.956   8.355   0.997
   56   1HK1  IAM   7          1HK1      IAM   7  -4.846   4.616  -6.481
   57   2HK1  IAM   7          2HK1      IAM   7  -5.477   3.371  -5.429
   58   3HK1  IAM   7          3HK1      IAM   7  -6.334   3.796  -6.892
   59   1HK2  IAM   7          1HK2      IAM   7  -7.974   6.522  -6.259
   60   2HK2  IAM   7          2HK2      IAM   7  -6.443   7.293  -5.924
   61   3HK2  IAM   7          3HK2      IAM   7  -6.582   6.163  -7.249
   62    H    THR   8           H        THR   8  -3.299   4.679   0.349
   63    HA   THR   8           HA       THR   8  -4.634   3.749   2.595
   64    HB   THR   8           HB       THR   8  -5.207   1.833   0.925
   65    HG1  THR   8           HG1      THR   8  -3.624   1.810  -0.630
   66   1HG2  THR   8          1HG2      THR   8  -6.833   3.259   0.195
   67   2HG2  THR   8          2HG2      THR   8  -5.910   4.627   0.862
   68   3HG2  THR   8          3HG2      THR   8  -5.641   4.108  -0.819
   69    H    PHE   9           H        PHE   9  -4.595   0.961   2.547
   70    HA   PHE   9           HA       PHE   9  -1.877   0.142   3.028
   71   2HB   PHE   9          2HB       PHE   9  -3.661  -0.478   5.318
   72    HD1  PHE   9           HD1      PHE   9  -2.175  -1.462   6.769
   73    HD2  PHE   9           HD2      PHE   9  -0.937   1.993   4.638
   74    HE1  PHE   9           HE1      PHE   9   0.026  -1.505   7.975
   75    HE2  PHE   9           HE2      PHE   9   1.264   1.948   5.843
   76    HZ   PHE   9           HZ       PHE   9   1.719   0.200   7.498
   77    H    HHK  10           H        HHK  10  -4.007  -0.599   1.150
   78    HA   HHK  10           HA       HHK  10  -5.535  -2.733   1.877
   79   2HB   HHK  10          2HB       HHK  10  -4.512  -1.566  -0.575
   80   1HB   HHK  10          1HB       HHK  10  -4.579  -3.312  -0.705
   81   2HD   HHK  10          2HD       HHK  10  -8.032  -0.898  -0.090
   82   1HD   HHK  10          1HD       HHK  10  -6.437  -0.362   0.401
   83   2HZ   HHK  10          2HZ       HHK  10  -5.941   1.544  -1.013
   84   1HZ   HHK  10          1HZ       HHK  10  -4.753   0.289  -1.262
   85   2HT   HHK  10          2HT       HHK  10  -4.845   0.548  -3.639
   86   1HT   HHK  10          1HT       HHK  10  -6.278   1.543  -3.545
   87   1HH   HHK  10          1HH       HHK  10  -4.522   2.841  -2.011
   88    H    SER  11           H        SER  11  -2.047  -2.700   0.931
   89    HA   SER  11           HA       SER  11  -0.453  -4.140   1.230
   90   2HB   SER  11          2HB       SER  11  -1.182  -6.000   3.161
   91    HG   SER  11           HG       SER  11   0.579  -4.234   3.071
   92    H    CYS  12           H        CYS  12   0.271  -6.206   0.433
   93    HA   CYS  12           HA       CYS  12  -1.460  -7.421  -1.369
   94   2HB   CYS  12          2HB       CYS  12   1.061  -7.342  -1.443
  Start of MODEL    7
    1   1H    TYR   1          1H        TYR   1   6.138  -9.752  -0.983
    2    HA   TYR   1           HA       TYR   1   6.438  -8.810   1.259
    3   2HB   TYR   1          2HB       TYR   1   6.866  -6.241   1.115
    4    HD1  TYR   1           HD1      TYR   1   8.592  -6.514   2.693
    5    HD2  TYR   1           HD2      TYR   1   9.098  -8.067  -1.261
    6    HE1  TYR   1           HE1      TYR   1  11.030  -7.028   3.199
    7    HE2  TYR   1           HE2      TYR   1  11.534  -8.578  -0.741
    8    HH   TYR   1           HH       TYR   1  12.738  -8.658   2.346
    9    H    CYS   2           H        CYS   2   4.991  -6.736   2.053
   10    HA   CYS   2           HA       CYS   2   2.465  -7.211   0.734
   11   2HB   CYS   2          2HB       CYS   2   2.121  -5.415   2.875
   12    H    LYS   3           H        LYS   3   3.523  -4.173   2.355
   13    HA   LYS   3           HA       LYS   3   3.934  -2.133   1.538
   14   2HB   LYS   3          2HB       LYS   3   3.309  -2.958  -1.288
   15   2HG   LYS   3          2HG       LYS   3   5.681  -1.318  -0.591
   16   2HD   LYS   3          2HD       LYS   3   3.702  -1.615  -2.720
   17   2HE   LYS   3          2HE       LYS   3   4.439   1.257  -2.005
   18   1HZ   LYS   3          1HZ       LYS   3   2.437   0.179  -3.914
   19   2HZ   LYS   3          2HZ       LYS   3   2.884   1.736  -3.756
   20    H    PHE   4           H        PHE   4   2.420  -0.706   2.179
   21    HA   PHE   4           HA       PHE   4  -0.335  -1.295   1.799
   22   2HB   PHE   4          2HB       PHE   4  -0.381   1.157   2.823
   23    HD1  PHE   4           HD1      PHE   4  -1.505  -1.225   3.760
   24    HD2  PHE   4           HD2      PHE   4   2.146   0.553   4.992
   25    HE1  PHE   4           HE1      PHE   4  -1.681  -2.399   5.972
   26    HE2  PHE   4           HE2      PHE   4   1.971  -0.620   7.205
   27    HZ   PHE   4           HZ       PHE   4   0.060  -2.081   7.669
   28    H    GLU   5           H        GLU   5   1.028   1.975   1.244
   29    HA   GLU   5           HA       GLU   5   1.053   2.156  -1.408
   30   1HB   GLU   5          1HB       GLU   5  -1.672   1.653  -0.574
   31   2HB   GLU   5          2HB       GLU   5  -1.584   3.267  -1.251
   32   1HG   GLU   5          1HG       GLU   5  -1.844   2.126  -3.237
   33   2HG   GLU   5          2HG       GLU   5  -0.102   1.976  -3.120
   34    H    DTR   6           H        DTR   6  -0.050   4.597  -2.075
   35    HA   DTR   6           HA       DTR   6   0.247   6.828  -1.790
   36   1HB   DTR   6          1HB       DTR   6   2.141   7.481  -0.304
   37   2HB   DTR   6          2HB       DTR   6   2.309   5.801   0.166
   38    HD1  DTR   6           HD1      DTR   6   2.945   4.060  -1.994
   39    HE1  DTR   6           HE1      DTR   6   4.507   4.406  -4.093
   40    HZ2  DTR   6           HZ2      DTR   6   5.536   6.715  -5.418
   41    HH2  DTR   6           HH2      DTR   6   5.510   9.234  -5.313
   42    HZ3  DTR   6           HZ3      DTR   6   4.234  10.366  -3.561
   43    HE3  DTR   6           HE3      DTR   6   2.926   9.141  -1.828
   44    H    IAM   7           H        IAM   7  -2.047   5.942  -0.560
   45    HA   IAM   7           HA       IAM   7  -1.895   7.035   2.162
   46    HB   IAM   7           HB       IAM   7  -4.429   7.609   1.418
   47    HD1  IAM   7           HD1      IAM   7  -2.397   8.879  -1.316
   48    HE1  IAM   7           HE1      IAM   7  -2.987   8.591  -3.740
   49    HE2  IAM   7           HE2      IAM   7  -6.015   5.815  -2.674
   50    HD2  IAM   7           HD2      IAM   7  -5.424   6.103  -0.251
   51   1HT   IAM   7          1HT       IAM   7  -4.592   6.037  -5.148
   52   2HT   IAM   7          2HT       IAM   7  -4.390   7.758  -5.405
   53    HH   IAM   7           HH       IAM   7  -6.877   7.830  -4.409
   54    HI   IAM   7           HI       IAM   7  -6.772   6.656  -6.984
   55   1HB   IAM   7          1HB       IAM   7  -3.118   8.682   0.973
   56   1HK1  IAM   7          1HK1      IAM   7  -8.886   6.212  -4.864
   57   2HK1  IAM   7          2HK1      IAM   7  -8.829   7.577  -5.955
   58   3HK1  IAM   7          3HK1      IAM   7  -9.103   5.969  -6.581
   59   1HK2  IAM   7          1HK2      IAM   7  -7.621   4.289  -5.726
   60   2HK2  IAM   7          2HK2      IAM   7  -6.184   4.514  -6.695
   61   3HK2  IAM   7          3HK2      IAM   7  -6.111   4.727  -4.963
   62    H    THR   8           H        THR   8  -3.503   4.781  -0.143
   63    HA   THR   8           HA       THR   8  -5.267   3.631   1.706
   64    HB   THR   8           HB       THR   8  -4.984   1.685  -0.104
   65    HG1  THR   8           HG1      THR   8  -3.536   2.302  -1.681
   66   1HG2  THR   8          1HG2      THR   8  -5.736   4.087  -1.634
   67   2HG2  THR   8          2HG2      THR   8  -6.743   2.693  -1.173
   68   3HG2  THR   8          3HG2      THR   8  -6.530   4.051  -0.042
   69    H    PHE   9           H        PHE   9  -4.894   0.920   1.759
   70    HA   PHE   9           HA       PHE   9  -2.255   0.455   2.858
   71   2HB   PHE   9          2HB       PHE   9  -4.417  -0.556   4.607
   72    HD1  PHE   9           HD1      PHE   9  -1.627   1.862   4.212
   73    HD2  PHE   9           HD2      PHE   9  -3.699  -0.760   6.826
   74    HE1  PHE   9           HE1      PHE   9   0.164   2.173   5.944
   75    HE2  PHE   9           HE2      PHE   9  -1.909  -0.449   8.558
   76    HZ   PHE   9           HZ       PHE   9   0.002   1.014   8.095
   77    H    HHK  10           H        HHK  10  -3.824  -0.468   0.497
   78    HA   HHK  10           HA       HHK  10  -4.882  -3.021   1.047
   79   2HB   HHK  10          2HB       HHK  10  -4.365  -1.320  -1.286
   80   1HB   HHK  10          1HB       HHK  10  -4.132  -3.024  -1.624
   81   2HD   HHK  10          2HD       HHK  10  -7.874  -1.522  -1.794
   82   1HD   HHK  10          1HD       HHK  10  -6.795  -0.469  -0.901
   83   2HZ   HHK  10          2HZ       HHK  10  -5.973   1.257  -2.958
   84   1HZ   HHK  10          1HZ       HHK  10  -5.062   0.497  -1.675
   85   2HT   HHK  10          2HT       HHK  10  -4.378   0.138  -4.591
   86   1HT   HHK  10          1HT       HHK  10  -3.668   1.394  -3.608
   87   1HH   HHK  10          1HH       HHK  10  -2.909  -0.325  -2.103
   88    H    SER  11           H        SER  11  -3.189  -3.843   2.523
   89    HA   SER  11           HA       SER  11  -0.646  -4.367   1.352
   90   2HB   SER  11          2HB       SER  11  -0.048  -5.270   3.505
   91    HG   SER  11           HG       SER  11  -2.028  -3.204   3.968
   92    H    CYS  12           H        CYS  12   0.245  -6.545   0.992
   93    HA   CYS  12           HA       CYS  12  -1.236  -8.177  -0.519
   94   2HB   CYS  12          2HB       CYS  12   1.181  -8.348  -0.286
  Start of MODEL    8
    1   1H    TYR   1          1H        TYR   1   6.843  -9.211  -2.050
    2    HA   TYR   1           HA       TYR   1   6.167  -8.743   0.084
    3   2HB   TYR   1          2HB       TYR   1   7.068  -6.444   0.518
    4    HD1  TYR   1           HD1      TYR   1   8.449  -6.162  -2.751
    5    HD2  TYR   1           HD2      TYR   1   8.775  -8.389   0.888
    6    HE1  TYR   1           HE1      TYR   1  10.806  -6.869  -3.388
    7    HE2  TYR   1           HE2      TYR   1  11.132  -9.089   0.240
    8    HH   TYR   1           HH       TYR   1  12.803  -8.719  -1.135
    9    H    CYS   2           H        CYS   2   5.022  -6.949   1.553
   10    HA   CYS   2           HA       CYS   2   2.330  -6.881   0.580
   11   2HB   CYS   2          2HB       CYS   2   2.387  -5.508   2.989
   12    H    LYS   3           H        LYS   3   3.834  -4.259   2.515
   13    HA   LYS   3           HA       LYS   3   4.075  -2.092   2.171
   14   2HB   LYS   3          2HB       LYS   3   3.950  -1.655  -0.601
   15   2HG   LYS   3          2HG       LYS   3   5.629  -0.938   1.302
   16   2HD   LYS   3          2HD       LYS   3   6.831  -3.542   0.266
   17   2HE   LYS   3          2HE       LYS   3   8.192  -1.336   1.885
   18   1HZ   LYS   3          1HZ       LYS   3   8.752  -3.904   2.048
   19   2HZ   LYS   3          2HZ       LYS   3   9.594  -3.607   0.685
   20    H    PHE   4           H        PHE   4   2.372  -0.969   2.947
   21    HA   PHE   4           HA       PHE   4  -0.253  -1.426   2.207
   22   2HB   PHE   4          2HB       PHE   4  -0.411   1.020   3.251
   23    HD1  PHE   4           HD1      PHE   4  -1.435  -1.574   3.980
   24    HD2  PHE   4           HD2      PHE   4   1.789   0.593   5.687
   25    HE1  PHE   4           HE1      PHE   4  -1.775  -2.781   6.154
   26    HE2  PHE   4           HE2      PHE   4   1.449  -0.613   7.862
   27    HZ   PHE   4           HZ       PHE   4  -0.330  -2.286   8.069
   28    H    GLU   5           H        GLU   5   1.085   1.877   1.786
   29    HA   GLU   5           HA       GLU   5   1.302   2.121  -0.839
   30   1HB   GLU   5          1HB       GLU   5  -1.491   1.548  -0.215
   31   2HB   GLU   5          2HB       GLU   5  -1.351   3.121  -0.973
   32   1HG   GLU   5          1HG       GLU   5  -0.817   2.220  -2.999
   33   2HG   GLU   5          2HG       GLU   5   0.364   1.133  -2.300
   34    H    DTR   6           H        DTR   6   0.500   4.507  -1.628
   35    HA   DTR   6           HA       DTR   6   0.831   6.729  -1.292
   36   1HB   DTR   6          1HB       DTR   6   2.265   7.415   0.475
   37   2HB   DTR   6          2HB       DTR   6   1.937   5.970   1.411
   38    HD1  DTR   6           HD1      DTR   6   3.040   3.606   0.355
   39    HE1  DTR   6           HE1      DTR   6   5.258   3.145  -0.997
   40    HZ2  DTR   6           HZ2      DTR   6   7.016   4.804  -2.515
   41    HH2  DTR   6           HH2      DTR   6   7.340   7.194  -3.251
   42    HZ3  DTR   6           HZ3      DTR   6   5.731   8.905  -2.572
   43    HE3  DTR   6           HE3      DTR   6   3.738   8.409  -1.159
   44    H    IAM   7           H        IAM   7  -1.766   6.029  -0.975
   45    HA   IAM   7           HA       IAM   7  -2.540   7.244   1.581
   46    HB   IAM   7           HB       IAM   7  -4.687   7.675   0.068
   47    HD1  IAM   7           HD1      IAM   7  -5.528   6.313  -1.661
   48    HE1  IAM   7           HE1      IAM   7  -5.471   5.623  -4.076
   49    HE2  IAM   7           HE2      IAM   7  -1.642   7.405  -4.493
   50    HD2  IAM   7           HD2      IAM   7  -1.700   8.095  -2.080
   51   1HT   IAM   7          1HT       IAM   7  -3.422   6.924  -6.509
   52   2HT   IAM   7          2HT       IAM   7  -4.426   5.540  -6.141
   53    HH   IAM   7           HH       IAM   7  -1.903   4.701  -5.320
   54    HI   IAM   7           HI       IAM   7  -2.498   5.440  -8.192
   55   1HB   IAM   7          1HB       IAM   7  -3.275   8.681  -0.187
   56   1HK1  IAM   7          1HK1      IAM   7  -1.311   2.875  -7.115
   57   2HK1  IAM   7          2HK1      IAM   7  -2.949   3.059  -7.700
   58   3HK1  IAM   7          3HK1      IAM   7  -1.603   3.228  -8.801
   59   1HK2  IAM   7          1HK2      IAM   7   0.169   4.636  -8.075
   60   2HK2  IAM   7          2HK2      IAM   7  -0.411   6.271  -8.275
   61   3HK2  IAM   7          3HK2      IAM   7  -0.041   5.665  -6.679
   62    H    THR   8           H        THR   8  -2.697   4.426  -0.473
   63    HA   THR   8           HA       THR   8  -5.054   3.410   0.923
   64    HB   THR   8           HB       THR   8  -4.214   1.473  -0.877
   65    HG1  THR   8           HG1      THR   8  -3.758   4.104  -2.052
   66   1HG2  THR   8          1HG2      THR   8  -5.730   2.652  -2.562
   67   2HG2  THR   8          2HG2      THR   8  -6.485   2.397  -0.969
   68   3HG2  THR   8          3HG2      THR   8  -5.857   4.003  -1.410
   69    H    PHE   9           H        PHE   9  -4.873   0.939   1.471
   70    HA   PHE   9           HA       PHE   9  -2.256   0.370   2.613
   71   2HB   PHE   9          2HB       PHE   9  -4.459  -0.332   4.427
   72    HD1  PHE   9           HD1      PHE   9  -3.465  -0.659   6.470
   73    HD2  PHE   9           HD2      PHE   9  -1.956   2.410   3.960
   74    HE1  PHE   9           HE1      PHE   9  -1.697  -0.136   8.172
   75    HE2  PHE   9           HE2      PHE   9  -0.187   2.935   5.661
   76    HZ   PHE   9           HZ       PHE   9  -0.079   1.655   7.748
   77    H    HHK  10           H        HHK  10  -3.675  -0.722   0.304
   78    HA   HHK  10           HA       HHK  10  -5.007  -3.099   1.055
   79   2HB   HHK  10          2HB       HHK  10  -3.888  -1.992  -1.512
   80   1HB   HHK  10          1HB       HHK  10  -4.474  -3.641  -1.438
   81   2HD   HHK  10          2HD       HHK  10  -7.057  -0.331  -1.570
   82   1HD   HHK  10          1HD       HHK  10  -5.470  -0.077  -0.867
   83   2HZ   HHK  10          2HZ       HHK  10  -4.247   1.234  -2.926
   84   1HZ   HHK  10          1HZ       HHK  10  -3.592  -0.073  -1.972
   85   2HT   HHK  10          2HT       HHK  10  -2.675  -1.145  -3.827
   86   1HT   HHK  10          1HT       HHK  10  -3.809  -0.415  -4.938
   87   1HH   HHK  10          1HH       HHK  10  -2.475   1.663  -3.864
   88    H    SER  11           H        SER  11  -3.301  -3.629   2.778
   89    HA   SER  11           HA       SER  11  -0.775  -4.444   1.984
   90   2HB   SER  11          2HB       SER  11  -2.532  -5.018   4.380
   91    HG   SER  11           HG       SER  11   0.155  -5.763   4.616
   92    H    CYS  12           H        CYS  12   0.070  -6.476   1.350
   93    HA   CYS  12           HA       CYS  12  -1.581  -8.135  -0.099
   94   2HB   CYS  12          2HB       CYS  12   0.885  -7.916  -0.336
  Start of MODEL    9
    1   1H    TYR   1          1H        TYR   1   8.076  -7.136  -1.261
    2    HA   TYR   1           HA       TYR   1   6.986  -6.533   1.204
    3   2HB   TYR   1          2HB       TYR   1   7.792  -4.795  -0.295
    4    HD1  TYR   1           HD1      TYR   1   8.911  -5.346  -2.328
    5    HD2  TYR   1           HD2      TYR   1   4.636  -5.404  -2.165
    6    HE1  TYR   1           HE1      TYR   1   8.809  -5.553  -4.860
    7    HE2  TYR   1           HE2      TYR   1   4.550  -5.612  -4.698
    8    HH   TYR   1           HH       TYR   1   5.813  -5.237  -6.576
    9    H    CYS   2           H        CYS   2   4.610  -5.210   0.973
   10    HA   CYS   2           HA       CYS   2   2.785  -7.410   0.353
   11   2HB   CYS   2          2HB       CYS   2   1.299  -5.733   1.870
   12    H    LYS   3           H        LYS   3   1.745  -4.072   0.966
   13    HA   LYS   3           HA       LYS   3   1.844  -2.923  -1.485
   14   2HB   LYS   3          2HB       LYS   3   0.732  -4.584  -2.662
   15   2HG   LYS   3          2HG       LYS   3  -0.963  -4.875  -0.157
   16   2HD   LYS   3          2HD       LYS   3  -2.361  -4.777  -2.360
   17   2HE   LYS   3          2HE       LYS   3  -0.502  -7.053  -2.874
   18   1HZ   LYS   3          1HZ       LYS   3  -3.134  -7.701  -2.487
   19   2HZ   LYS   3          2HZ       LYS   3  -3.049  -7.510  -4.101
   20    H    PHE   4           H        PHE   4   2.000  -2.134   1.170
   21    HA   PHE   4           HA       PHE   4  -0.442  -1.175   2.176
   22   2HB   PHE   4          2HB       PHE   4   1.582   0.464   3.179
   23    HD1  PHE   4           HD1      PHE   4  -0.564  -0.285   4.606
   24    HD2  PHE   4           HD2      PHE   4   2.950  -2.603   4.069
   25    HE1  PHE   4           HE1      PHE   4  -1.082  -1.559   6.706
   26    HE2  PHE   4           HE2      PHE   4   2.431  -3.875   6.169
   27    HZ   PHE   4           HZ       PHE   4   0.421  -3.339   7.462
   28    H    GLU   5           H        GLU   5   2.364   0.805   0.979
   29    HA   GLU   5           HA       GLU   5   2.454   2.616  -0.221
   30   1HB   GLU   5          1HB       GLU   5  -0.029   1.388  -1.208
   31   2HB   GLU   5          2HB       GLU   5  -0.064   3.133  -1.354
   32   1HG   GLU   5          1HG       GLU   5   1.164   2.878  -3.250
   33   2HG   GLU   5          2HG       GLU   5   2.524   2.512  -2.206
   34    H    DTR   6           H        DTR   6   1.592   4.960  -0.330
   35    HA   DTR   6           HA       DTR   6   1.096   6.806   0.911
   36   1HB   DTR   6          1HB       DTR   6   0.940   6.649   3.243
   37   2HB   DTR   6          2HB       DTR   6   0.357   4.998   3.195
   38    HD1  DTR   6           HD1      DTR   6   2.244   3.049   2.832
   39    HE1  DTR   6           HE1      DTR   6   4.861   2.933   3.161
   40    HZ2  DTR   6           HZ2      DTR   6   6.895   4.912   3.448
   41    HH2  DTR   6           HH2      DTR   6   7.229   7.411   3.526
   42    HZ3  DTR   6           HZ3      DTR   6   5.306   8.904   3.306
   43    HE3  DTR   6           HE3      DTR   6   2.974   8.079   2.999
   44    H    IAM   7           H        IAM   7  -0.801   6.929  -0.640
   45    HA   IAM   7           HA       IAM   7  -3.181   7.422   0.502
   46    HB   IAM   7           HB       IAM   7  -4.005   6.671  -1.939
   47    HD1  IAM   7           HD1      IAM   7  -3.180   4.500  -2.743
   48    HE1  IAM   7           HE1      IAM   7  -1.535   3.355  -4.255
   49    HE2  IAM   7           HE2      IAM   7   1.013   6.743  -4.055
   50    HD2  IAM   7           HD2      IAM   7  -0.633   7.890  -2.544
   51   1HT   IAM   7          1HT       IAM   7   0.791   4.728  -6.136
   52   2HT   IAM   7          2HT       IAM   7   0.592   3.243  -5.231
   53    HH   IAM   7           HH       IAM   7   2.334   4.882  -3.690
   54    HI   IAM   7           HI       IAM   7   3.611   4.652  -6.137
   55   1HB   IAM   7          1HB       IAM   7  -2.916   8.035  -1.786
   56   1HK1  IAM   7          1HK1      IAM   7   2.790   1.878  -5.256
   57   2HK1  IAM   7          2HK1      IAM   7   2.178   2.706  -6.668
   58   3HK1  IAM   7          3HK1      IAM   7   3.860   2.243  -6.589
   59   1HK2  IAM   7          1HK2      IAM   7   4.978   2.789  -4.552
   60   2HK2  IAM   7          2HK2      IAM   7   5.329   4.495  -4.702
   61   3HK2  IAM   7          3HK2      IAM   7   4.277   3.929  -3.430
   62    H    THR   8           H        THR   8  -2.106   4.251  -0.881
   63    HA   THR   8           HA       THR   8  -4.583   3.028   0.036
   64    HB   THR   8           HB       THR   8  -3.080   1.027  -1.082
   65    HG1  THR   8           HG1      THR   8  -1.634   2.035  -2.544
   66   1HG2  THR   8          1HG2      THR   8  -3.935   2.015  -3.390
   67   2HG2  THR   8          2HG2      THR   8  -5.133   1.472  -2.190
   68   3HG2  THR   8          3HG2      THR   8  -4.768   3.206  -2.361
   69    H    PHE   9           H        PHE   9  -4.070   0.609   0.920
   70    HA   PHE   9           HA       PHE   9  -1.868   0.359   2.625
   71   2HB   PHE   9          2HB       PHE   9  -4.323   0.653   4.304
   72    HD1  PHE   9           HD1      PHE   9  -3.680   0.673   6.510
   73    HD2  PHE   9           HD2      PHE   9  -1.003   2.228   3.606
   74    HE1  PHE   9           HE1      PHE   9  -1.962   1.064   8.300
   75    HE2  PHE   9           HE2      PHE   9   0.712   2.616   5.396
   76    HZ   PHE   9           HZ       PHE   9   0.212   2.031   7.721
   77    H    HHK  10           H        HHK  10  -3.450  -1.162   0.663
   78    HA   HHK  10           HA       HHK  10  -4.874  -3.103   2.274
   79   2HB   HHK  10          2HB       HHK  10  -5.696  -3.962   0.246
   80   1HB   HHK  10          1HB       HHK  10  -5.685  -2.223   0.035
   81   2HD   HHK  10          2HD       HHK  10  -5.304  -2.278  -2.616
   82   1HD   HHK  10          1HD       HHK  10  -4.496  -1.168  -1.526
   83   2HZ   HHK  10          2HZ       HHK  10  -2.655   0.080  -2.972
   84   1HZ   HHK  10          1HZ       HHK  10  -2.216  -0.825  -1.544
   85   2HT   HHK  10          2HT       HHK  10  -0.213  -1.420  -2.417
   86   1HT   HHK  10          1HT       HHK  10  -0.919  -1.839  -3.957
   87   1HH   HHK  10          1HH       HHK  10  -1.124   0.796  -3.957
   88    H    SER  11           H        SER  11  -2.269  -2.956   3.150
   89    HA   SER  11           HA       SER  11  -0.349  -4.347   1.924
   90   2HB   SER  11          2HB       SER  11  -0.502  -3.263   4.327
   91    HG   SER  11           HG       SER  11  -1.671  -4.585   5.599
   92    H    CYS  12           H        CYS  12  -0.314  -6.338   0.956
   93    HA   CYS  12           HA       CYS  12  -1.002  -8.361   0.371
   94   2HB   CYS  12          2HB       CYS  12  -0.832 -10.063   2.222
  Start of MODEL   10
    1   1H    TYR   1          1H        TYR   1   8.642  -7.189  -0.066
    2    HA   TYR   1           HA       TYR   1   7.159  -6.315   1.428
    3   2HB   TYR   1          2HB       TYR   1   7.813  -4.436   0.031
    4    HD1  TYR   1           HD1      TYR   1   8.908  -5.245  -2.044
    5    HD2  TYR   1           HD2      TYR   1   4.674  -4.666  -1.824
    6    HE1  TYR   1           HE1      TYR   1   8.761  -5.296  -4.582
    7    HE2  TYR   1           HE2      TYR   1   4.542  -4.719  -4.362
    8    HH   TYR   1           HH       TYR   1   6.212  -5.920  -6.226
    9    H    CYS   2           H        CYS   2   4.700  -5.124   1.319
   10    HA   CYS   2           HA       CYS   2   3.000  -7.396   0.604
   11   2HB   CYS   2          2HB       CYS   2   1.600  -5.626   2.303
   12    H    LYS   3           H        LYS   3   2.104  -3.992   1.380
   13    HA   LYS   3           HA       LYS   3   1.942  -2.892  -1.090
   14   2HB   LYS   3          2HB       LYS   3  -0.823  -3.514  -1.025
   15   2HG   LYS   3          2HG       LYS   3   1.537  -4.111  -2.835
   16   2HD   LYS   3          2HD       LYS   3  -1.371  -4.895  -3.353
   17   2HE   LYS   3          2HE       LYS   3   1.075  -5.548  -5.041
   18   1HZ   LYS   3          1HZ       LYS   3  -1.788  -5.935  -5.222
   19   2HZ   LYS   3          2HZ       LYS   3  -1.114  -5.387  -6.597
   20    H    PHE   4           H        PHE   4   2.513  -2.055   1.484
   21    HA   PHE   4           HA       PHE   4   0.482  -1.039   2.996
   22   2HB   PHE   4          2HB       PHE   4   2.534   0.905   3.002
   23    HD1  PHE   4           HD1      PHE   4   2.320  -2.731   3.852
   24    HD2  PHE   4           HD2      PHE   4   3.063   1.218   5.219
   25    HE1  PHE   4           HE1      PHE   4   2.593  -3.592   6.194
   26    HE2  PHE   4           HE2      PHE   4   3.337   0.356   7.561
   27    HZ   PHE   4           HZ       PHE   4   3.098  -2.039   8.021
   28    H    GLU   5           H        GLU   5   1.669   0.053  -0.157
   29    HA   GLU   5           HA       GLU   5   1.079   1.664  -1.488
   30   1HB   GLU   5          1HB       GLU   5  -1.348   0.704  -0.313
   31   2HB   GLU   5          2HB       GLU   5  -1.516   2.442  -0.460
   32   1HG   GLU   5          1HG       GLU   5  -2.297   1.480  -2.538
   33   2HG   GLU   5          2HG       GLU   5  -0.763   2.255  -2.878
   34    H    DTR   6           H        DTR   6   0.543   4.073  -1.696
   35    HA   DTR   6           HA       DTR   6   1.140   6.182  -1.067
   36   1HB   DTR   6          1HB       DTR   6   2.657   6.494   0.687
   37   2HB   DTR   6          2HB       DTR   6   2.120   5.061   1.546
   38    HD1  DTR   6           HD1      DTR   6   3.098   2.667   0.646
   39    HE1  DTR   6           HE1      DTR   6   5.186   1.960  -0.805
   40    HZ2  DTR   6           HZ2      DTR   6   6.949   3.384  -2.539
   41    HH2  DTR   6           HH2      DTR   6   7.382   5.690  -3.463
   42    HZ3  DTR   6           HZ3      DTR   6   5.940   7.553  -2.809
   43    HE3  DTR   6           HE3      DTR   6   4.018   7.297  -1.243
   44    H    IAM   7           H        IAM   7  -1.316   6.419  -0.932
   45    HA   IAM   7           HA       IAM   7  -2.066   7.227   1.720
   46    HB   IAM   7           HB       IAM   7  -4.138   7.958   0.411
   47    HD1  IAM   7           HD1      IAM   7  -5.347   6.141  -0.728
   48    HE1  IAM   7           HE1      IAM   7  -5.935   5.140  -2.955
   49    HE2  IAM   7           HE2      IAM   7  -2.453   6.877  -4.651
   50    HD2  IAM   7           HD2      IAM   7  -1.868   7.877  -2.425
   51   1HT   IAM   7          1HT       IAM   7  -5.062   6.084  -5.895
   52   2HT   IAM   7          2HT       IAM   7  -5.250   4.514  -5.145
   53    HH   IAM   7           HH       IAM   7  -2.638   5.550  -6.256
   54    HI   IAM   7           HI       IAM   7  -3.292   2.890  -5.279
   55   1HB   IAM   7          1HB       IAM   7  -2.649   8.588  -0.264
   56   1HK1  IAM   7          1HK1      IAM   7  -1.568   3.713  -7.624
   57   2HK1  IAM   7          2HK1      IAM   7  -1.010   3.550  -5.978
   58   3HK1  IAM   7          3HK1      IAM   7  -1.555   2.142  -6.858
   59   1HK2  IAM   7          1HK2      IAM   7  -4.184   3.582  -8.067
   60   2HK2  IAM   7          2HK2      IAM   7  -3.851   1.939  -7.575
   61   3HK2  IAM   7          3HK2      IAM   7  -5.123   2.844  -6.792
   62    H    THR   8           H        THR   8  -2.457   4.425  -0.349
   63    HA   THR   8           HA       THR   8  -4.806   3.513   1.105
   64    HB   THR   8           HB       THR   8  -3.960   1.502  -0.647
   65    HG1  THR   8           HG1      THR   8  -3.588   4.121  -1.874
   66   1HG2  THR   8          1HG2      THR   8  -6.206   2.148  -0.951
   67   2HG2  THR   8          2HG2      THR   8  -5.813   3.884  -0.903
   68   3HG2  THR   8          3HG2      THR   8  -5.448   2.930  -2.360
   69    H    PHE   9           H        PHE   9  -4.497   0.840   1.367
   70    HA   PHE   9           HA       PHE   9  -2.000   0.171   2.536
   71   2HB   PHE   9          2HB       PHE   9  -4.077  -0.072   4.618
   72    HD1  PHE   9           HD1      PHE   9  -2.025   2.921   4.641
   73    HD2  PHE   9           HD2      PHE   9  -2.126  -1.205   5.632
   74    HE1  PHE   9           HE1      PHE   9  -0.019   3.227   6.118
   75    HE2  PHE   9           HE2      PHE   9  -0.119  -0.898   7.109
   76    HZ   PHE   9           HZ       PHE   9   0.910   1.313   7.334
   77    H    HHK  10           H        HHK  10  -3.808  -0.875   0.495
   78    HA   HHK  10           HA       HHK  10  -5.565  -2.777   1.179
   79   2HB   HHK  10          2HB       HHK  10  -3.841  -2.221  -1.063
   80   1HB   HHK  10          1HB       HHK  10  -3.928  -3.953  -0.815
   81   2HD   HHK  10          2HD       HHK  10  -7.358  -1.576  -1.688
   82   1HD   HHK  10          1HD       HHK  10  -5.964  -0.906  -0.866
   83   2HZ   HHK  10          2HZ       HHK  10  -4.340   0.438  -3.260
   84   1HZ   HHK  10          1HZ       HHK  10  -4.171  -0.348  -1.710
   85   2HT   HHK  10          2HT       HHK  10  -3.541  -2.358  -3.505
   86   1HT   HHK  10          1HT       HHK  10  -2.825  -0.942  -4.234
   87   1HH   HHK  10          1HH       HHK  10  -2.159  -0.648  -1.693
   88    H    SER  11           H        SER  11  -1.992  -2.959   1.499
   89    HA   SER  11           HA       SER  11  -0.687  -4.361   2.522
   90   2HB   SER  11          2HB       SER  11  -1.920  -5.668   4.535
   91    HG   SER  11           HG       SER  11  -0.811  -4.139   5.530
   92    H    CYS  12           H        CYS  12   0.011  -6.066   1.278
   93    HA   CYS  12           HA       CYS  12  -1.463  -7.787  -0.139
   94   2HB   CYS  12          2HB       CYS  12   1.091  -7.492   0.022