*HEADER    RIBOSOMAL PROTEIN                       09-JUL-19   6PQG              
*TITLE     SOLUTION STRUCTURE OF OLVA(BC)                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: OLVA(BC);                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOMYCES OLIVACEUS;                         
*SOURCE   3 ORGANISM_TAXID: 47716;                                               
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    LANTHIPEPTIDE, RIPPS, RIBOSOMAL PROTEIN                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    J.Z.ACEDO,W.A.VAN DER DONK                                            
*REVDAT   1   23-OCT-19 6PQG    0                                                
# Restraints file 1: final.upl
 12 CYS  HB3    18 ALA  HA      4.47 #SUP  0.97  #QF  0.97
  4 DBB  HA      4 DBB  HG21    3.26            #peak    19
  4 DBB  HG21   15 SER  HA      4.37            #peak    20
 10 LYS  HA     10 LYS  HD2     5.50            #peak    25 #SUP  0.98  #QF  0.87
 10 LYS  HA     10 LYS  HD3     5.50            #peak    25 #SUP  0.98  #QF  0.87
 10 LYS  HA     15 SER  QB      5.50            #peak    26
 12 CYS  HB2    18 ALA  HA      4.47            #peak    27 #SUP  0.89  #QF  0.89
 12 CYS  HA     18 ALA  HB1     5.47            #peak    30 #SUP  0.95  #QF  0.95
 12 CYS  HA     16 CYS  HB3     4.28            #peak    32
 11 DBB  HB     16 CYS  HB3     4.70            #peak    33 #SUP  0.95  #QF  0.95
  4 DBB  HB      8 CYS  HB2     4.01            #peak    34
  4 DBB  HB      8 CYS  HB3     4.01            #peak    35
 11 DBB  HB     16 CYS  HB2     3.74            #peak    36 #SUP  0.97  #QF  0.97
  9 ALA  HB1    14 ALA  HB1     5.47            #peak    40 #SUP  0.98  #QF  0.73
  9 ALA  HB2    14 ALA  HB1     5.50            #peak    40 #SUP  0.98  #QF  0.73
  9 ALA  HB3    14 ALA  HB1     5.50            #peak    40 #SUP  0.98  #QF  0.73
  9 ALA  HB1    14 ALA  HB2     5.42            #peak    41 #SUP  0.97  #QF  0.62
  9 ALA  HB2    14 ALA  HB2     5.50            #peak    41 #SUP  0.97  #QF  0.62
  9 ALA  HB3    14 ALA  HB2     5.50            #peak    41 #SUP  0.97  #QF  0.62
 11 DBB  HG21   16 CYS  HB2     5.50            #peak    42
 12 CYS  HA     16 CYS  HB2     3.80            #peak    44
 10 LYS  HA     14 ALA  HB2     4.62            #peak    48
 12 CYS  HA     18 ALA  HB2     5.50            #peak    50 #SUP  0.94  #QF  0.94
  4 DBB  HG22    8 CYS  HB3     5.50            #peak    59 #SUP  1.00  #QF  0.92
  4 DBB  HG23    8 CYS  HB3     5.50            #peak    59 #SUP  1.00  #QF  0.92
  4 DBB  HG22    8 CYS  HB2     5.50            #peak    60 #SUP  1.00  #QF  0.93
  4 DBB  HG23    8 CYS  HB2     5.50            #peak    60 #SUP  1.00  #QF  0.93
 12 CYS  HA     18 ALA  HA      5.50            #peak    77 #SUP  0.94  #QF  0.94
  9 ALA  QB     13 ALA  QB      4.02            #peak    87
 14 ALA  H      14 ALA  HB1     4.11 #SUP  1.00
  2 CYS  HB2     4 DBB  H       4.63            #peak     8 #SUP  0.87  #QF  0.87
  2 CYS  HB3     4 DBB  H       4.63            #peak     9 #SUP  0.93  #QF  0.93
  4 DBB  H       8 CYS  HB3     5.07            #peak    10 #SUP  0.98  #QF  0.98
  4 DBB  H       8 CYS  HB2     5.07            #peak    11 #SUP  0.96  #QF  0.96
 17 ALA  HB3    18 ALA  H       3.32            #peak    12 #SUP  0.24  #QF  0.24
 16 CYS  HB2    18 ALA  H       4.18            #peak    13 #SUP  0.99  #QF  0.99
 18 ALA  H      18 ALA  HB2     4.08            #peak    15 #SUP  0.99  #QF  0.99
 18 ALA  H      18 ALA  HB1     4.00            #peak    16 #SUP  1.00
 16 CYS  HB3    18 ALA  H       3.53            #peak    17 #SUP  0.99  #QF  0.99
 12 CYS  HA     14 ALA  H       3.93            #peak    23
 16 CYS  H      16 CYS  HB3     3.72            #peak    25 #SUP  0.99  #QF  0.99
 11 DBB  HB     16 CYS  H       4.77            #peak    27
 18 ALA  HB1    19 SER  H       3.70            #peak    28 #SUP  0.92  #QF  0.92
 18 ALA  HB2    19 SER  H       3.91            #peak    29 #SUP  0.95  #QF  0.95
 14 ALA  H      16 CYS  HB2     5.50            #peak    32 #SUP  0.89  #QF  0.89
 16 CYS  H      16 CYS  HB2     3.10            #peak    33 #SUP  0.89  #QF  0.89
 14 ALA  HB2    16 CYS  H       5.33            #peak    34 #SUP  0.95  #QF  0.95
 14 ALA  HB1    16 CYS  H       5.50            #peak    35 #SUP  0.96  #QF  0.96
 10 LYS  H      14 ALA  HB2     5.50            #peak    36 #SUP  0.90  #QF  0.90
  9 ALA  H      14 ALA  HB2     3.47            #peak    37
 14 ALA  HB2    15 SER  H       3.98            #peak    38 #SUP  0.92  #QF  0.92
  9 ALA  H      14 ALA  HB1     3.67            #peak    42
  6 ASP  HB2     7 GLY  H       5.24            #peak    45 #SUP  0.87  #QF  0.64
  6 ASP  HB3     7 GLY  H       5.24            #peak    45 #SUP  0.87  #QF  0.64
  2 CYS  HB3     3 GLY  H       5.45            #peak    46 #SUP  0.78  #QF  0.78
  2 CYS  HB2     3 GLY  H       5.45            #peak    47 #SUP  0.98  #QF  0.98
 14 ALA  HB1    15 SER  H       4.19            #peak    48 #SUP  0.89  #QF  0.89
  4 DBB  HB      5 GLY  H       3.96            #peak    49 #SUP  0.89  #QF  0.89
 16 CYS  HB3    17 ALA  H       3.88            #peak    50 #SUP  0.96  #QF  0.96
  8 CYS  HA      9 ALA  H       2.73            #peak    61 #SUP  0.98  #QF  0.98
  9 ALA  HA     10 LYS  H       2.95            #peak    69 #SUP  0.40  #QF  0.40
 11 DBB  H      16 CYS  HB2     4.98            #peak    71 #SUP  0.93  #QF  0.93
 10 LYS  H      10 LYS  HD2     5.50            #peak    74 #SUP  0.98  #QF  0.90
 10 LYS  H      10 LYS  HD3     5.50            #peak    74 #SUP  0.98  #QF  0.90
 17 ALA  H      17 ALA  HB2     3.33            #peak    76 #SUP  0.80  #QF  0.25
  9 ALA  H       9 ALA  HB1     4.12            #peak    77 #SUP  0.99  #QF  0.82
  9 ALA  HB1    10 LYS  H       4.16            #peak    79 #SUP  0.99  #QF  0.66
  9 ALA  HB2    10 LYS  H       4.78            #peak    79 #SUP  0.99  #QF  0.66
  9 ALA  HB3    10 LYS  H       4.58            #peak    79 #SUP  0.99  #QF  0.66
 10 LYS  H      10 LYS  HG3     3.54            #peak    81 #SUP  0.90  #QF  0.90
 10 LYS  H      10 LYS  HG2     3.54            #peak    82 #SUP  0.86  #QF  0.86
 17 ALA  HB3    19 SER  H       4.38            #peak    83 #SUP  0.67  #QF  0.67
  7 GLY  H       8 CYS  H       3.68            #peak    85 #SUP  0.91  #QF  0.91
  3 GLY  H       4 DBB  H       4.25            #peak    86 #SUP  0.91  #QF  0.91
  4 DBB  H       5 GLY  H       4.42            #peak    87 #SUP  0.98  #QF  0.98
  6 ASP  H       8 CYS  H       5.50            #peak    89 #SUP  0.94  #QF  0.94
 17 ALA  H      18 ALA  H       3.97            #peak    90 #SUP  0.98  #QF  0.98
 18 ALA  H      19 SER  H       4.04            #peak    91 #SUP  0.94  #QF  0.94
 11 DBB  H      14 ALA  H       4.85            #peak    92 #SUP  0.38  #QF  0.38
 11 DBB  H      16 CYS  H       4.14            #peak    93
 15 SER  H      16 CYS  H       3.86            #peak    94 #SUP  0.87  #QF  0.87
 13 ALA  H      14 ALA  H       3.24            #peak    95 #SUP  0.85  #QF  0.85
  8 CYS  H       9 ALA  H       4.87            #peak    98 #SUP  0.96  #QF  0.96
  6 ASP  HA      8 CYS  H       4.23            #peak   104 #SUP  0.92  #QF  0.92
  6 ASP  HA      7 GLY  H       3.21            #peak   107 #SUP  0.86  #QF  0.86
 10 LYS  HA     11 DBB  H       2.80            #peak   108 #SUP  0.89  #QF  0.89
 16 CYS  HB2    17 ALA  H       4.26            #peak   120 #SUP  1.00
  4 DBB  HG22    5 GLY  H       4.75            #peak   122 #SUP  0.98  #QF  0.49
  4 DBB  HG23    5 GLY  H       4.60            #peak   122 #SUP  0.98  #QF  0.49
 16 CYS  HA     17 ALA  H       3.16            #peak   124 #SUP  0.88  #QF  0.88
 12 CYS  HA     16 CYS  H       4.48            #peak   126 #SUP  0.87  #QF  0.87
  2 CYS  QB      4 DBB  H       3.77            #peak     8
  2 CYS  QB      4 DBB  HA      4.42            #peak    10
  4 DBB  H       8 CYS  QB      4.39            #peak    10
  4 DBB  HB      8 CYS  QB      3.46            #peak    34
  5 GLY  H       8 CYS  QB      4.72            #peak    44
  5 GLY  QA      6 ASP  H       2.94            #peak    57
  6 ASP  QB      7 GLY  H       4.47            #peak    45
  8 CYS  QB      9 ALA  H       4.22            #peak    41
 10 LYS  HA     10 LYS  QG      3.74            #peak    15
 12 CYS  QB     18 ALA  H       4.80            #peak    14
 12 CYS  QB     18 ALA  HA      3.60 
 12 CYS  QB     19 SER  H       5.30            #peak    30
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           H        ALA   1   1.807  -0.001   0.855
    2    HA   ALA   1           HA       ALA   1   2.269   1.026  -1.526
    3    HB1  ALA   1           HB1      ALA   1   3.292  -1.710  -0.774
    4    HB2  ALA   1           HB2      ALA   1   4.024  -0.604  -1.938
    5    HB3  ALA   1           HB3      ALA   1   3.968  -0.175  -0.228
    6    H    CYS   2           H        CYS   2  -0.294   0.415  -1.980
    7    HA   CYS   2           HA       CYS   2  -0.151  -1.077  -4.446
    8    HB2  CYS   2           HB2      CYS   2  -0.653  -2.706  -2.471
    9    HB3  CYS   2           HB3      CYS   2  -2.259  -1.986  -2.513
   10    H    GLY   3           H        GLY   3  -1.361  -0.071  -5.915
   11    HA2  GLY   3           HA2      GLY   3  -2.873   2.219  -5.323
   12    HA3  GLY   3           HA3      GLY   3  -2.900   1.351  -6.851
   13    H    DBB   4           H        DBB   4  -3.734  -1.096  -5.138
   14    HA   DBB   4           HA       DBB   4  -6.195  -0.590  -3.974
   15    HB2  DBB   4           HB       DBB   4  -4.982  -2.624  -3.769
   16    HG1  DBB   4          HG21      DBB   4  -7.167  -2.739  -3.043
   17    HG2  DBB   4          HG22      DBB   4  -6.959  -4.196  -4.015
   18    HG3  DBB   4          HG23      DBB   4  -7.811  -2.802  -4.682
   19    H    GLY   5           H        GLY   5  -5.578  -1.212  -7.447
   20    HA2  GLY   5           HA2      GLY   5  -8.123   0.099  -8.008
   21    HA3  GLY   5           HA3      GLY   5  -6.859  -0.265  -9.174
   22    H    ASP   6           H        ASP   6  -8.305  -1.175 -10.643
   23    HA   ASP   6           HA       ASP   6 -10.041  -3.332  -9.891
   24    HB2  ASP   6           HB2      ASP   6 -10.288  -1.633 -11.853
   25    HB3  ASP   6           HB3      ASP   6  -9.241  -2.750 -12.725
   26    H    GLY   7           H        GLY   7  -9.647  -5.463  -9.897
   27    HA2  GLY   7           HA2      GLY   7  -8.604  -7.478 -10.320
   28    HA3  GLY   7           HA3      GLY   7  -7.629  -6.666 -11.536
   29    H    CYS   8           H        CYS   8  -7.525  -5.105  -8.540
   30    HA   CYS   8           HA       CYS   8  -4.793  -5.380  -8.182
   31    HB2  CYS   8           HB2      CYS   8  -6.690  -3.888  -6.992
   32    HB3  CYS   8           HB3      CYS   8  -6.428  -5.082  -5.725
   33    H    ALA   9           H        ALA   9  -3.780  -6.338  -6.125
   34    HA   ALA   9           HA       ALA   9  -4.545  -9.163  -6.024
   35    HB1  ALA   9           HB1      ALA   9  -2.043  -8.131  -4.777
   36    HB2  ALA   9           HB2      ALA   9  -2.356  -9.677  -5.566
   37    HB3  ALA   9           HB3      ALA   9  -2.153  -8.218  -6.536
   38    H    LYS  10           H        LYS  10  -4.996 -10.235  -4.133
   39    HA   LYS  10           HA       LYS  10  -5.512  -8.520  -1.800
   40    HB2  LYS  10           HB2      LYS  10  -7.146 -10.192  -1.107
   41    HB3  LYS  10           HB3      LYS  10  -7.484  -9.644  -2.744
   42    HG2  LYS  10           HG2      LYS  10  -6.961 -11.655  -3.679
   43    HG3  LYS  10           HG3      LYS  10  -5.812 -12.073  -2.405
   44    HD2  LYS  10           HD2      LYS  10  -8.730 -11.863  -1.779
   45    HD3  LYS  10           HD3      LYS  10  -8.097 -13.318  -2.552
   46    HE2  LYS  10           HE2      LYS  10  -6.320 -13.195  -0.633
   47    HE3  LYS  10           HE3      LYS  10  -7.545 -12.211   0.166
   48    HZ1  LYS  10           HZ1      LYS  10  -8.047 -14.929  -0.915
   49    HZ2  LYS  10           HZ2      LYS  10  -9.098 -13.999   0.029
   50    HZ3  LYS  10           HZ3      LYS  10  -7.671 -14.609   0.703
   51    H    DBB  11           H        DBB  11  -5.031  -9.316   0.317
   52    HA   DBB  11           HA       DBB  11  -3.491 -11.724   0.568
   53    HB2  DBB  11           HB       DBB  11  -5.028 -11.020   2.239
   54    HG1  DBB  11          HG21      DBB  11  -3.097 -12.460   2.726
   55    HG2  DBB  11          HG22      DBB  11  -3.737 -11.623   4.140
   56    HG3  DBB  11          HG23      DBB  11  -2.257 -11.050   3.369
   57    H    CYS  12           H        CYS  12  -1.268 -11.873   1.446
   58    HA   CYS  12           HA       CYS  12   0.379  -9.589   1.700
   59    HB2  CYS  12           HB2      CYS  12   0.726 -11.912   2.721
   60    HB3  CYS  12           HB3      CYS  12   1.378 -12.381   1.154
   61    H    ALA  13           H        ALA  13   0.197  -8.366  -0.187
   62    HA   ALA  13           HA       ALA  13   2.119  -8.833  -2.170
   63    HB1  ALA  13           HB1      ALA  13   0.544  -9.156  -4.118
   64    HB2  ALA  13           HB2      ALA  13   0.771 -10.555  -3.067
   65    HB3  ALA  13           HB3      ALA  13  -0.693  -9.580  -2.934
   66    H    ALA  14           H        ALA  14  -0.892  -7.307  -1.294
   67    HA   ALA  14           HA       ALA  14   0.062  -4.678  -1.788
   68    HB1  ALA  14           HB1      ALA  14  -0.805  -5.544  -4.108
   69    HB2  ALA  14           HB2      ALA  14  -2.371  -5.467  -3.308
   70    H    SER  15           H        SER  15  -3.142  -6.269  -1.722
   71    HA   SER  15           HA       SER  15  -4.427  -4.410  -0.140
   72    HB2  SER  15           HB2      SER  15  -4.873  -7.401  -0.282
   73    HB3  SER  15           HB3      SER  15  -5.992  -6.263   0.468
   74    HG   SER  15           HG       SER  15  -6.705  -6.510  -1.589
   75    H    CYS  16           H        CYS  16  -2.552  -7.238   0.870
   76    HA   CYS  16           HA       CYS  16  -2.584  -6.176   3.619
   77    HB2  CYS  16           HB2      CYS  16  -2.142  -9.079   2.960
   78    HB3  CYS  16           HB3      CYS  16  -2.596  -8.360   4.502
   79    H    ALA  17           H        ALA  17  -0.653  -6.609   4.891
   80    HA   ALA  17           HA       ALA  17   1.747  -6.391   3.239
   81    HB1  ALA  17           HB1      ALA  17   2.841  -5.541   5.215
   82    HB2  ALA  17           HB2      ALA  17   1.314  -4.690   4.977
   83    HB3  ALA  17           HB3      ALA  17   1.440  -5.949   6.206
   84    H    ALA  18           H        ALA  18   0.070  -8.741   4.849
   85    HA   ALA  18           HA       ALA  18   0.497 -10.935   5.321
   86    HB1  ALA  18           HB1      ALA  18   3.401 -10.641   4.700
   87    HB2  ALA  18           HB2      ALA  18   2.317 -12.007   4.457
   88    H    SER  19           H        SER  19   3.539  -9.234   6.134
   89    HA   SER  19           HA       SER  19   3.871 -10.558   8.596
   90    HB2  SER  19           HB2      SER  19   5.662  -9.351   7.278
   91    HB3  SER  19           HB3      SER  19   4.990  -7.840   7.890
   92    HG   SER  19           HG       SER  19   6.630  -9.603   9.114
  Start of MODEL    2
    1    H1   ALA   1           H        ALA   1   4.753   0.545  -4.687
    2    HA   ALA   1           HA       ALA   1   2.532   0.149  -2.985
    3    HB1  ALA   1           HB1      ALA   1   3.568   2.342  -3.908
    4    HB2  ALA   1           HB2      ALA   1   2.465   2.085  -5.261
    5    HB3  ALA   1           HB3      ALA   1   1.829   2.255  -3.625
    6    H    CYS   2           H        CYS   2   0.813  -1.091  -3.293
    7    HA   CYS   2           HA       CYS   2   0.275  -2.326  -5.816
    8    HB2  CYS   2           HB2      CYS   2  -0.146  -3.203  -3.380
    9    HB3  CYS   2           HB3      CYS   2  -1.679  -2.353  -3.545
   10    H    GLY   3           H        GLY   3  -1.374   0.121  -3.838
   11    HA2  GLY   3           HA2      GLY   3  -2.521   1.983  -4.738
   12    HA3  GLY   3           HA3      GLY   3  -2.649   1.133  -6.271
   13    H    DBB   4           H        DBB   4  -3.554  -1.320  -4.709
   14    HA   DBB   4           HA       DBB   4  -5.902  -0.766  -3.343
   15    HB2  DBB   4           HB       DBB   4  -4.809  -2.877  -3.374
   16    HG1  DBB   4          HG21      DBB   4  -6.972  -2.882  -2.533
   17    HG2  DBB   4          HG22      DBB   4  -6.873  -4.309  -3.565
   18    HG3  DBB   4          HG23      DBB   4  -7.691  -2.856  -4.142
   19    H    GLY   5           H        GLY   5  -5.548  -1.177  -6.887
   20    HA2  GLY   5           HA2      GLY   5  -8.038   0.324  -7.177
   21    HA3  GLY   5           HA3      GLY   5  -6.864   0.003  -8.445
   22    H    ASP   6           H        ASP   6  -8.361  -0.750  -9.923
   23    HA   ASP   6           HA       ASP   6 -10.210  -2.843  -9.254
   24    HB2  ASP   6           HB2      ASP   6 -10.978  -2.682 -11.478
   25    HB3  ASP   6           HB3      ASP   6 -10.516  -1.038 -11.046
   26    H    GLY   7           H        GLY   7  -9.985  -4.994  -9.487
   27    HA2  GLY   7           HA2      GLY   7  -9.065  -7.030 -10.053
   28    HA3  GLY   7           HA3      GLY   7  -8.090  -6.195 -11.253
   29    H    CYS   8           H        CYS   8  -7.775  -4.853  -8.166
   30    HA   CYS   8           HA       CYS   8  -5.050  -5.341  -7.951
   31    HB2  CYS   8           HB2      CYS   8  -6.780  -3.766  -6.616
   32    HB3  CYS   8           HB3      CYS   8  -6.555  -5.033  -5.414
   33    H    ALA   9           H        ALA   9  -4.065  -6.453  -5.937
   34    HA   ALA   9           HA       ALA   9  -4.999  -9.226  -5.974
   35    HB1  ALA   9           HB1      ALA   9  -2.835  -9.879  -5.385
   36    HB2  ALA   9           HB2      ALA   9  -2.591  -8.529  -6.495
   37    HB3  ALA   9           HB3      ALA   9  -2.426  -8.283  -4.756
   38    H    LYS  10           H        LYS  10  -4.412 -10.406  -3.797
   39    HA   LYS  10           HA       LYS  10  -5.292  -8.774  -1.519
   40    HB2  LYS  10           HB2      LYS  10  -6.840 -10.502  -0.801
   41    HB3  LYS  10           HB3      LYS  10  -7.250  -9.974  -2.428
   42    HG2  LYS  10           HG2      LYS  10  -6.406 -11.947  -3.393
   43    HG3  LYS  10           HG3      LYS  10  -5.576 -12.411  -1.905
   44    HD2  LYS  10           HD2      LYS  10  -7.528 -13.090  -0.872
   45    HD3  LYS  10           HD3      LYS  10  -8.545 -12.073  -1.896
   46    HE2  LYS  10           HE2      LYS  10  -7.820 -13.592  -3.817
   47    HE3  LYS  10           HE3      LYS  10  -7.222 -14.686  -2.571
   48    HZ1  LYS  10           HZ1      LYS  10 -10.022 -13.723  -2.813
   49    HZ2  LYS  10           HZ2      LYS  10  -9.442 -14.798  -1.643
   50    HZ3  LYS  10           HZ3      LYS  10  -9.469 -15.255  -3.271
   51    H    DBB  11           H        DBB  11  -4.797  -9.726   0.581
   52    HA   DBB  11           HA       DBB  11  -3.024 -11.991   0.618
   53    HB2  DBB  11           HB       DBB  11  -4.647 -11.636   2.319
   54    HG1  DBB  11          HG21      DBB  11  -2.543 -12.884   2.682
   55    HG2  DBB  11          HG22      DBB  11  -3.333 -12.325   4.157
   56    HG3  DBB  11          HG23      DBB  11  -1.919 -11.472   3.534
   57    H    CYS  12           H        CYS  12  -0.818 -11.971   1.602
   58    HA   CYS  12           HA       CYS  12   0.541  -9.495   1.984
   59    HB2  CYS  12           HB2      CYS  12   1.085 -11.699   3.113
   60    HB3  CYS  12           HB3      CYS  12   1.817 -12.203   1.593
   61    H    ALA  13           H        ALA  13   0.300  -8.357   0.032
   62    HA   ALA  13           HA       ALA  13   2.409  -8.606  -1.794
   63    HB1  ALA  13           HB1      ALA  13   0.914  -9.141  -3.827
   64    HB2  ALA  13           HB2      ALA  13   1.468 -10.471  -2.809
   65    HB3  ALA  13           HB3      ALA  13  -0.177  -9.857  -2.640
   66    H    ALA  14           H        ALA  14  -0.838  -7.488  -1.185
   67    HA   ALA  14           HA       ALA  14  -0.168  -4.775  -1.875
   68    HB1  ALA  14           HB1      ALA  14  -1.635  -6.406  -3.746
   69    HB2  ALA  14           HB2      ALA  14  -2.698  -5.224  -2.990
   70    H    SER  15           H        SER  15  -3.174  -6.655  -1.402
   71    HA   SER  15           HA       SER  15  -4.449  -4.772   0.196
   72    HB2  SER  15           HB2      SER  15  -4.772  -7.780   0.132
   73    HB3  SER  15           HB3      SER  15  -5.876  -6.684   0.963
   74    HG   SER  15           HG       SER  15  -6.809  -6.779  -0.952
   75    H    CYS  16           H        CYS  16  -3.054  -7.835   1.383
   76    HA   CYS  16           HA       CYS  16  -2.797  -6.662   4.039
   77    HB2  CYS  16           HB2      CYS  16  -2.022  -9.474   3.305
   78    HB3  CYS  16           HB3      CYS  16  -2.561  -8.850   4.861
   79    H    ALA  17           H        ALA  17  -0.833  -6.674   5.217
   80    HA   ALA  17           HA       ALA  17   1.502  -6.258   3.525
   81    HB1  ALA  17           HB1      ALA  17   2.511  -5.214   5.443
   82    HB2  ALA  17           HB2      ALA  17   0.874  -4.589   5.246
   83    HB3  ALA  17           HB3      ALA  17   1.214  -5.792   6.490
   84    H    ALA  18           H        ALA  18   0.155  -8.746   5.250
   85    HA   ALA  18           HA       ALA  18   0.856 -10.857   5.770
   86    HB1  ALA  18           HB1      ALA  18   3.693 -10.296   5.086
   87    HB2  ALA  18           HB2      ALA  18   2.718 -11.738   4.825
   88    H    SER  19           H        SER  19   3.677  -8.758   6.438
   89    HA   SER  19           HA       SER  19   4.871  -8.398   8.342
   90    HB2  SER  19           HB2      SER  19   3.654  -7.637  10.147
   91    HB3  SER  19           HB3      SER  19   2.405  -7.597   8.903
   92    HG   SER  19           HG       SER  19   1.391  -8.774  10.346
  Start of MODEL    3
    1    H1   ALA   1           H        ALA   1   3.477  -2.328  -4.990
    2    HA   ALA   1           HA       ALA   1   1.878  -0.427  -3.431
    3    HB1  ALA   1           HB1      ALA   1   3.536   0.924  -4.564
    4    HB2  ALA   1           HB2      ALA   1   3.124   0.179  -6.109
    5    HB3  ALA   1           HB3      ALA   1   1.947   1.198  -5.280
    6    H    CYS   2           H        CYS   2  -0.129  -1.182  -3.524
    7    HA   CYS   2           HA       CYS   2  -1.070  -2.387  -6.040
    8    HB2  CYS   2           HB2      CYS   2  -1.266  -3.243  -3.316
    9    HB3  CYS   2           HB3      CYS   2  -2.888  -2.929  -3.926
   10    H    GLY   3           H        GLY   3  -2.571  -1.341  -7.171
   11    HA2  GLY   3           HA2      GLY   3  -3.480   1.210  -6.580
   12    HA3  GLY   3           HA3      GLY   3  -4.253   0.122  -7.723
   13    H    DBB   4           H        DBB   4  -4.749  -1.856  -5.521
   14    HA   DBB   4           HA       DBB   4  -6.270  -0.756  -3.492
   15    HB2  DBB   4           HB       DBB   4  -5.567  -3.025  -3.595
   16    HG1  DBB   4          HG21      DBB   4  -7.105  -3.589  -2.123
   17    HG2  DBB   4          HG22      DBB   4  -8.406  -3.536  -3.314
   18    HG3  DBB   4          HG23      DBB   4  -7.866  -2.051  -2.528
   19    H    GLY   5           H        GLY   5  -7.523  -1.749  -6.720
   20    HA2  GLY   5           HA2      GLY   5 -10.166  -0.835  -6.143
   21    HA3  GLY   5           HA3      GLY   5  -9.248   0.379  -7.021
   22    H    ASP   6           H        ASP   6  -7.713  -1.497  -8.579
   23    HA   ASP   6           HA       ASP   6  -9.486  -3.206 -10.022
   24    HB2  ASP   6           HB2      ASP   6  -9.172  -1.845 -12.199
   25    HB3  ASP   6           HB3      ASP   6 -10.406  -1.321 -11.057
   26    H    GLY   7           H        GLY   7  -7.501  -4.362  -9.201
   27    HA2  GLY   7           HA2      GLY   7  -5.952  -5.586 -10.835
   28    HA3  GLY   7           HA3      GLY   7  -5.213  -4.003 -11.024
   29    H    CYS   8           H        CYS   8  -6.430  -5.437  -8.035
   30    HA   CYS   8           HA       CYS   8  -3.658  -5.543  -7.043
   31    HB2  CYS   8           HB2      CYS   8  -4.785  -5.019  -4.762
   32    HB3  CYS   8           HB3      CYS   8  -4.506  -3.700  -5.894
   33    H    ALA   9           H        ALA   9  -3.189  -7.154  -5.490
   34    HA   ALA   9           HA       ALA   9  -4.934  -9.489  -5.708
   35    HB1  ALA   9           HB1      ALA   9  -2.107  -9.268  -4.682
   36    HB2  ALA   9           HB2      ALA   9  -3.015 -10.765  -4.899
   37    HB3  ALA   9           HB3      ALA   9  -2.586  -9.783  -6.300
   38    H    LYS  10           H        LYS  10  -4.542 -10.956  -3.571
   39    HA   LYS  10           HA       LYS  10  -5.358  -9.262  -1.301
   40    HB2  LYS  10           HB2      LYS  10  -6.587 -11.382  -0.541
   41    HB3  LYS  10           HB3      LYS  10  -7.280 -10.477  -1.881
   42    HG2  LYS  10           HG2      LYS  10  -5.422 -12.503  -2.791
   43    HG3  LYS  10           HG3      LYS  10  -6.730 -13.184  -1.822
   44    HD2  LYS  10           HD2      LYS  10  -7.309 -11.216  -4.006
   45    HD3  LYS  10           HD3      LYS  10  -7.063 -12.925  -4.376
   46    HE2  LYS  10           HE2      LYS  10  -8.894 -13.560  -2.976
   47    HE3  LYS  10           HE3      LYS  10  -9.051 -11.920  -2.346
   48    HZ1  LYS  10           HZ1      LYS  10  -9.256 -12.129  -5.220
   49    HZ2  LYS  10           HZ2      LYS  10 -10.215 -11.266  -4.125
   50    HZ3  LYS  10           HZ3      LYS  10 -10.495 -12.915  -4.377
   51    H    DBB  11           H        DBB  11  -4.781 -10.015   0.829
   52    HA   DBB  11           HA       DBB  11  -2.891 -12.179   1.016
   53    HB2  DBB  11           HB       DBB  11  -4.540 -11.808   2.688
   54    HG1  DBB  11          HG21      DBB  11  -3.230 -12.359   4.531
   55    HG2  DBB  11          HG22      DBB  11  -1.872 -11.386   3.963
   56    HG3  DBB  11          HG23      DBB  11  -2.309 -12.873   3.119
   57    H    CYS  12           H        CYS  12  -0.698 -11.965   2.019
   58    HA   CYS  12           HA       CYS  12   0.517  -9.396   2.232
   59    HB2  CYS  12           HB2      CYS  12   1.175 -11.485   3.512
   60    HB3  CYS  12           HB3      CYS  12   1.948 -12.048   2.033
   61    H    ALA  13           H        ALA  13   0.234  -8.406   0.209
   62    HA   ALA  13           HA       ALA  13   2.366  -8.657  -1.587
   63    HB1  ALA  13           HB1      ALA  13   1.672 -10.528  -2.653
   64    HB2  ALA  13           HB2      ALA  13  -0.019 -10.285  -2.216
   65    HB3  ALA  13           HB3      ALA  13   0.689  -9.368  -3.546
   66    H    ALA  14           H        ALA  14  -0.941  -7.689  -1.060
   67    HA   ALA  14           HA       ALA  14  -0.429  -4.999  -1.939
   68    HB1  ALA  14           HB1      ALA  14  -1.763  -6.832  -3.710
   69    HB2  ALA  14           HB2      ALA  14  -2.923  -5.697  -3.026
   70    H    SER  15           H        SER  15  -3.324  -7.015  -1.349
   71    HA   SER  15           HA       SER  15  -4.716  -5.103   0.113
   72    HB2  SER  15           HB2      SER  15  -5.740  -7.156  -0.812
   73    HB3  SER  15           HB3      SER  15  -4.893  -8.113   0.403
   74    HG   SER  15           HG       SER  15  -6.637  -7.744   1.527
   75    H    CYS  16           H        CYS  16  -3.152  -7.993   1.504
   76    HA   CYS  16           HA       CYS  16  -2.985  -6.635   4.078
   77    HB2  CYS  16           HB2      CYS  16  -2.046  -9.439   3.536
   78    HB3  CYS  16           HB3      CYS  16  -2.629  -8.746   5.046
   79    H    ALA  17           H        ALA  17  -1.031  -6.463   5.265
   80    HA   ALA  17           HA       ALA  17   1.288  -6.024   3.557
   81    HB1  ALA  17           HB1      ALA  17   2.228  -4.817   5.426
   82    HB2  ALA  17           HB2      ALA  17   0.574  -4.273   5.142
   83    HB3  ALA  17           HB3      ALA  17   0.924  -5.370   6.478
   84    H    ALA  18           H        ALA  18   0.072  -8.461   5.449
   85    HA   ALA  18           HA       ALA  18   0.887 -10.489   6.114
   86    HB1  ALA  18           HB1      ALA  18   3.693  -9.826   5.401
   87    HB2  ALA  18           HB2      ALA  18   2.793 -11.329   5.225
   88    H    SER  19           H        SER  19   3.581  -8.191   6.636
   89    HA   SER  19           HA       SER  19   3.182  -8.441   9.520
   90    HB2  SER  19           HB2      SER  19   4.824 -10.188   8.922
   91    HB3  SER  19           HB3      SER  19   5.849  -8.960   8.181
   92    HG   SER  19           HG       SER  19   5.635  -9.662  10.776
  Start of MODEL    4
    1    H1   ALA   1           H        ALA   1   4.576   0.939  -2.378
    2    HA   ALA   1           HA       ALA   1   2.468  -0.404  -1.311
    3    HB1  ALA   1           HB1      ALA   1   1.494   2.044  -2.479
    4    HB2  ALA   1           HB2      ALA   1   1.779   1.642  -0.785
    5    HB3  ALA   1           HB3      ALA   1   3.095   2.273  -1.775
    6    H    CYS   2           H        CYS   2   0.338  -0.901  -1.951
    7    HA   CYS   2           HA       CYS   2   0.135  -1.764  -4.704
    8    HB2  CYS   2           HB2      CYS   2  -0.660  -3.011  -2.547
    9    HB3  CYS   2           HB3      CYS   2  -2.093  -2.001  -2.709
   10    H    GLY   3           H        GLY   3  -0.763  -0.622  -6.282
   11    HA2  GLY   3           HA2      GLY   3  -1.849   1.940  -5.923
   12    HA3  GLY   3           HA3      GLY   3  -1.980   0.978  -7.387
   13    H    DBB   4           H        DBB   4  -3.305  -1.124  -5.502
   14    HA   DBB   4           HA       DBB   4  -5.720   0.024  -4.639
   15    HB2  DBB   4           HB       DBB   4  -4.860  -2.045  -3.845
   16    HG1  DBB   4          HG21      DBB   4  -6.871  -2.752  -3.228
   17    HG2  DBB   4          HG22      DBB   4  -7.427  -2.977  -4.887
   18    HG3  DBB   4          HG23      DBB   4  -7.428  -1.366  -4.165
   19    H    GLY   5           H        GLY   5  -4.984  -1.551  -7.777
   20    HA2  GLY   5           HA2      GLY   5  -6.944   0.071  -9.074
   21    HA3  GLY   5           HA3      GLY   5  -6.013  -1.224  -9.812
   22    H    ASP   6           H        ASP   6  -8.266  -1.358 -10.856
   23    HA   ASP   6           HA       ASP   6 -10.370  -2.537  -9.329
   24    HB2  ASP   6           HB2      ASP   6  -9.909  -2.297 -12.305
   25    HB3  ASP   6           HB3      ASP   6 -11.361  -3.007 -11.604
   26    H    GLY   7           H        GLY   7  -7.464  -3.746 -10.449
   27    HA2  GLY   7           HA2      GLY   7  -8.527  -6.504 -10.400
   28    HA3  GLY   7           HA3      GLY   7  -7.212  -6.013 -11.457
   29    H    CYS   8           H        CYS   8  -7.161  -4.564  -8.376
   30    HA   CYS   8           HA       CYS   8  -4.654  -5.489  -7.672
   31    HB2  CYS   8           HB2      CYS   8  -6.579  -3.793  -6.546
   32    HB3  CYS   8           HB3      CYS   8  -6.265  -5.010  -5.313
   33    H    ALA   9           H        ALA   9  -4.017  -6.893  -5.873
   34    HA   ALA   9           HA       ALA   9  -5.560  -9.374  -5.931
   35    HB1  ALA   9           HB1      ALA   9  -3.578 -10.470  -5.162
   36    HB2  ALA   9           HB2      ALA   9  -3.124  -9.377  -6.470
   37    HB3  ALA   9           HB3      ALA   9  -2.805  -8.928  -4.795
   38    H    LYS  10           H        LYS  10  -4.803 -10.592  -3.617
   39    HA   LYS  10           HA       LYS  10  -5.680  -8.829  -1.442
   40    HB2  LYS  10           HB2      LYS  10  -7.201 -10.603  -0.616
   41    HB3  LYS  10           HB3      LYS  10  -7.692  -9.955  -2.176
   42    HG2  LYS  10           HG2      LYS  10  -7.878 -12.084  -2.799
   43    HG3  LYS  10           HG3      LYS  10  -6.116 -12.068  -2.900
   44    HD2  LYS  10           HD2      LYS  10  -5.866 -13.108  -0.830
   45    HD3  LYS  10           HD3      LYS  10  -7.499 -12.681  -0.312
   46    HE2  LYS  10           HE2      LYS  10  -7.494 -15.012  -0.794
   47    HE3  LYS  10           HE3      LYS  10  -8.365 -14.209  -2.099
   48    HZ1  LYS  10           HZ1      LYS  10  -6.161 -14.242  -3.319
   49    HZ2  LYS  10           HZ2      LYS  10  -6.952 -15.726  -3.145
   50    HZ3  LYS  10           HZ3      LYS  10  -5.636 -15.348  -2.151
   51    H    DBB  11           H        DBB  11  -5.153  -9.614   0.694
   52    HA   DBB  11           HA       DBB  11  -3.514 -11.956   0.919
   53    HB2  DBB  11           HB       DBB  11  -5.035 -11.299   2.624
   54    HG1  DBB  11          HG21      DBB  11  -2.254 -11.191   3.706
   55    HG2  DBB  11          HG22      DBB  11  -3.005 -12.654   3.066
   56    HG3  DBB  11          HG23      DBB  11  -3.687 -11.858   4.486
   57    H    CYS  12           H        CYS  12  -1.266 -12.019   1.736
   58    HA   CYS  12           HA       CYS  12   0.297  -9.662   1.922
   59    HB2  CYS  12           HB2      CYS  12   0.745 -11.949   2.989
   60    HB3  CYS  12           HB3      CYS  12   1.396 -12.424   1.423
   61    H    ALA  13           H        ALA  13  -0.052  -8.529  -0.024
   62    HA   ALA  13           HA       ALA  13   1.875  -8.986  -2.031
   63    HB1  ALA  13           HB1      ALA  13  -0.948  -9.534  -2.933
   64    HB2  ALA  13           HB2      ALA  13   0.518  -9.593  -3.912
   65    HB3  ALA  13           HB3      ALA  13   0.262 -10.782  -2.635
   66    H    ALA  14           H        ALA  14  -1.148  -7.496  -1.123
   67    HA   ALA  14           HA       ALA  14  -0.248  -4.859  -1.678
   68    HB1  ALA  14           HB1      ALA  14  -1.266  -5.936  -3.934
   69    HB2  ALA  14           HB2      ALA  14  -2.750  -5.532  -3.077
   70    H    SER  15           H        SER  15  -3.389  -6.563  -1.478
   71    HA   SER  15           HA       SER  15  -4.708  -4.688   0.065
   72    HB2  SER  15           HB2      SER  15  -5.792  -6.635  -1.031
   73    HB3  SER  15           HB3      SER  15  -5.087  -7.690   0.194
   74    HG   SER  15           HG       SER  15  -7.296  -6.967   0.595
   75    H    CYS  16           H        CYS  16  -2.810  -7.486   1.150
   76    HA   CYS  16           HA       CYS  16  -2.803  -6.328   3.860
   77    HB2  CYS  16           HB2      CYS  16  -2.223  -9.217   3.240
   78    HB3  CYS  16           HB3      CYS  16  -2.669  -8.497   4.784
   79    H    ALA  17           H        ALA  17  -0.823  -6.775   5.131
   80    HA   ALA  17           HA       ALA  17   1.536  -6.402   3.435
   81    HB1  ALA  17           HB1      ALA  17   2.610  -5.452   5.357
   82    HB2  ALA  17           HB2      ALA  17   1.011  -4.723   5.193
   83    HB3  ALA  17           HB3      ALA  17   1.291  -5.971   6.408
   84    H    ALA  18           H        ALA  18  -0.001  -8.812   5.105
   85    HA   ALA  18           HA       ALA  18   0.538 -10.978   5.592
   86    HB1  ALA  18           HB1      ALA  18   3.410 -10.566   4.905
   87    HB2  ALA  18           HB2      ALA  18   2.379 -11.977   4.691
   88    H    SER  19           H        SER  19   3.518  -9.133   6.313
   89    HA   SER  19           HA       SER  19   4.147 -10.392   8.687
   90    HB2  SER  19           HB2      SER  19   4.630  -7.446   8.419
   91    HB3  SER  19           HB3      SER  19   5.701  -8.702   9.041
   92    HG   SER  19           HG       SER  19   5.757  -7.683   6.661
  Start of MODEL    5
    1    H1   ALA   1           H        ALA   1   1.582  -0.359   1.403
    2    HA   ALA   1           HA       ALA   1   1.482   1.103  -0.499
    3    HB1  ALA   1           HB1      ALA   1   3.656  -0.908  -1.059
    4    HB2  ALA   1           HB2      ALA   1   3.618   0.788  -1.543
    5    HB3  ALA   1           HB3      ALA   1   3.762   0.361   0.162
    6    H    CYS   2           H        CYS   2  -0.634  -0.474  -1.055
    7    HA   CYS   2           HA       CYS   2  -0.184  -1.278  -3.855
    8    HB2  CYS   2           HB2      CYS   2  -0.834  -3.065  -2.041
    9    HB3  CYS   2           HB3      CYS   2  -2.450  -2.396  -2.247
   10    H    GLY   3           H        GLY   3  -1.446  -0.367  -5.377
   11    HA2  GLY   3           HA2      GLY   3  -2.995   1.915  -4.740
   12    HA3  GLY   3           HA3      GLY   3  -2.905   1.140  -6.314
   13    H    DBB   4           H        DBB   4  -3.788  -1.407  -4.738
   14    HA   DBB   4           HA       DBB   4  -6.344  -0.995  -3.753
   15    HB2  DBB   4           HB       DBB   4  -5.095  -3.003  -3.507
   16    HG1  DBB   4          HG21      DBB   4  -7.346  -3.158  -2.972
   17    HG2  DBB   4          HG22      DBB   4  -6.992  -4.616  -3.901
   18    HG3  DBB   4          HG23      DBB   4  -7.831  -3.263  -4.664
   19    H    GLY   5           H        GLY   5  -5.455  -1.539  -7.183
   20    HA2  GLY   5           HA2      GLY   5  -7.990  -0.277  -7.902
   21    HA3  GLY   5           HA3      GLY   5  -6.625  -0.551  -8.974
   22    H    ASP   6           H        ASP   6  -7.826  -1.501 -10.600
   23    HA   ASP   6           HA       ASP   6  -9.570  -3.723 -10.070
   24    HB2  ASP   6           HB2      ASP   6  -8.539  -2.484 -12.623
   25    HB3  ASP   6           HB3      ASP   6  -9.614  -3.880 -12.601
   26    H    GLY   7           H        GLY   7  -9.119  -5.846 -10.131
   27    HA2  GLY   7           HA2      GLY   7  -7.970  -7.811 -10.534
   28    HA3  GLY   7           HA3      GLY   7  -6.864  -6.907 -11.557
   29    H    CYS   8           H        CYS   8  -7.097  -5.376  -8.611
   30    HA   CYS   8           HA       CYS   8  -4.461  -5.733  -7.876
   31    HB2  CYS   8           HB2      CYS   8  -6.484  -4.197  -6.952
   32    HB3  CYS   8           HB3      CYS   8  -6.377  -5.374  -5.647
   33    H    ALA   9           H        ALA   9  -3.672  -6.746  -5.803
   34    HA   ALA   9           HA       ALA   9  -4.687  -9.499  -5.662
   35    HB1  ALA   9           HB1      ALA   9  -1.998  -8.346  -4.938
   36    HB2  ALA   9           HB2      ALA   9  -2.467 -10.025  -4.668
   37    HB3  ALA   9           HB3      ALA   9  -2.381  -9.387  -6.310
   38    H    LYS  10           H        LYS  10  -5.158 -10.478  -3.709
   39    HA   LYS  10           HA       LYS  10  -5.549  -8.628  -1.460
   40    HB2  LYS  10           HB2      LYS  10  -7.244 -10.174  -0.662
   41    HB3  LYS  10           HB3      LYS  10  -7.569  -9.743  -2.336
   42    HG2  LYS  10           HG2      LYS  10  -6.884 -11.841  -3.126
   43    HG3  LYS  10           HG3      LYS  10  -6.088 -12.247  -1.603
   44    HD2  LYS  10           HD2      LYS  10  -8.066 -13.482  -1.538
   45    HD3  LYS  10           HD3      LYS  10  -8.436 -12.056  -0.567
   46    HE2  LYS  10           HE2      LYS  10 -10.303 -12.363  -1.966
   47    HE3  LYS  10           HE3      LYS  10  -9.389 -11.041  -2.689
   48    HZ1  LYS  10           HZ1      LYS  10  -8.551 -13.561  -3.710
   49    HZ2  LYS  10           HZ2      LYS  10  -9.118 -12.203  -4.543
   50    HZ3  LYS  10           HZ3      LYS  10 -10.213 -13.342  -3.938
   51    H    DBB  11           H        DBB  11  -5.191  -9.448   0.724
   52    HA   DBB  11           HA       DBB  11  -3.727 -11.852   1.103
   53    HB2  DBB  11           HB       DBB  11  -5.159 -10.917   2.754
   54    HG1  DBB  11          HG21      DBB  11  -3.407 -12.463   3.361
   55    HG2  DBB  11          HG22      DBB  11  -3.785 -11.366   4.690
   56    HG3  DBB  11          HG23      DBB  11  -2.332 -11.114   3.721
   57    H    CYS  12           H        CYS  12  -1.490 -12.142   1.787
   58    HA   CYS  12           HA       CYS  12   0.328  -9.978   1.925
   59    HB2  CYS  12           HB2      CYS  12   0.690 -12.144   3.064
   60    HB3  CYS  12           HB3      CYS  12   0.912 -12.916   1.497
   61    H    ALA  13           H        ALA  13  -0.008  -8.814  -0.022
   62    HA   ALA  13           HA       ALA  13   1.812  -9.463  -2.088
   63    HB1  ALA  13           HB1      ALA  13   0.081 -11.067  -2.717
   64    HB2  ALA  13           HB2      ALA  13  -1.102  -9.762  -2.807
   65    HB3  ALA  13           HB3      ALA  13   0.253  -9.803  -3.935
   66    H    ALA  14           H        ALA  14  -1.006  -7.652  -1.091
   67    HA   ALA  14           HA       ALA  14   0.152  -5.122  -1.578
   68    HB1  ALA  14           HB1      ALA  14  -0.642  -5.785  -3.935
   69    HB2  ALA  14           HB2      ALA  14  -2.250  -5.805  -3.219
   70    H    SER  15           H        SER  15  -3.196  -6.375  -1.653
   71    HA   SER  15           HA       SER  15  -4.417  -4.473  -0.143
   72    HB2  SER  15           HB2      SER  15  -5.479  -6.504  -1.241
   73    HB3  SER  15           HB3      SER  15  -5.033  -7.410   0.204
   74    HG   SER  15           HG       SER  15  -6.368  -6.121   1.415
   75    H    CYS  16           H        CYS  16  -2.583  -7.247   1.054
   76    HA   CYS  16           HA       CYS  16  -2.703  -6.071   3.755
   77    HB2  CYS  16           HB2      CYS  16  -2.178  -8.973   3.099
   78    HB3  CYS  16           HB3      CYS  16  -2.485  -8.274   4.685
   79    H    ALA  17           H        ALA  17  -0.834  -5.645   4.803
   80    HA   ALA  17           HA       ALA  17   1.534  -5.248   3.433
   81    HB1  ALA  17           HB1      ALA  17   2.430  -4.556   5.420
   82    HB2  ALA  17           HB2      ALA  17   0.713  -4.481   5.815
   83    HB3  ALA  17           HB3      ALA  17   1.679  -5.860   6.341
   84    H    ALA  18           H        ALA  18   0.295  -8.125   4.847
   85    HA   ALA  18           HA       ALA  18   0.967 -10.308   4.747
   86    HB1  ALA  18           HB1      ALA  18   2.280  -9.256   2.547
   87    HB2  ALA  18           HB2      ALA  18   3.583  -9.810   3.594
   88    H    SER  19           H        SER  19   3.903  -8.298   5.132
   89    HA   SER  19           HA       SER  19   5.058 -10.004   7.073
   90    HB2  SER  19           HB2      SER  19   6.407  -8.468   5.713
   91    HB3  SER  19           HB3      SER  19   5.632  -7.088   6.491
   92    HG   SER  19           HG       SER  19   7.661  -8.690   7.385
  Start of MODEL    6
    1    H1   ALA   1           H        ALA   1   3.040  -1.543   0.322
    2    HA   ALA   1           HA       ALA   1   1.056   0.154  -0.072
    3    HB1  ALA   1           HB1      ALA   1   2.491   1.627  -1.252
    4    HB2  ALA   1           HB2      ALA   1   3.515   0.679  -0.173
    5    HB3  ALA   1           HB3      ALA   1   3.449   0.291  -1.892
    6    H    CYS   2           H        CYS   2  -0.690  -1.049  -1.036
    7    HA   CYS   2           HA       CYS   2  -0.554  -1.124  -3.980
    8    HB2  CYS   2           HB2      CYS   2  -1.266  -3.166  -2.148
    9    HB3  CYS   2           HB3      CYS   2  -2.744  -2.677  -2.971
   10    H    GLY   3           H        GLY   3  -2.055  -0.025  -5.125
   11    HA2  GLY   3           HA2      GLY   3  -3.640   1.928  -3.776
   12    HA3  GLY   3           HA3      GLY   3  -3.620   1.622  -5.506
   13    H    DBB   4           H        DBB   4  -4.215  -1.325  -4.594
   14    HA   DBB   4           HA       DBB   4  -6.827  -1.214  -3.522
   15    HB2  DBB   4           HB       DBB   4  -5.400  -3.107  -3.346
   16    HG1  DBB   4          HG21      DBB   4  -7.596  -3.578  -2.890
   17    HG2  DBB   4          HG22      DBB   4  -7.138  -4.859  -4.014
   18    HG3  DBB   4          HG23      DBB   4  -8.078  -3.478  -4.582
   19    H    GLY   5           H        GLY   5  -5.747  -1.367  -6.930
   20    HA2  GLY   5           HA2      GLY   5  -8.404  -0.390  -7.668
   21    HA3  GLY   5           HA3      GLY   5  -6.966  -0.347  -8.677
   22    H    ASP   6           H        ASP   6  -7.775  -1.330 -10.473
   23    HA   ASP   6           HA       ASP   6  -9.319  -3.744 -10.331
   24    HB2  ASP   6           HB2      ASP   6  -8.278  -1.983 -12.488
   25    HB3  ASP   6           HB3      ASP   6  -8.633  -3.654 -12.919
   26    H    GLY   7           H        GLY   7  -8.694  -5.830 -10.738
   27    HA2  GLY   7           HA2      GLY   7  -7.292  -7.643 -10.877
   28    HA3  GLY   7           HA3      GLY   7  -6.215  -6.616 -11.812
   29    H    CYS   8           H        CYS   8  -7.002  -5.452  -8.699
   30    HA   CYS   8           HA       CYS   8  -4.307  -5.526  -7.836
   31    HB2  CYS   8           HB2      CYS   8  -6.348  -3.988  -7.138
   32    HB3  CYS   8           HB3      CYS   8  -6.532  -5.197  -5.871
   33    H    ALA   9           H        ALA   9  -3.400  -6.649  -6.042
   34    HA   ALA   9           HA       ALA   9  -4.442  -9.364  -5.789
   35    HB1  ALA   9           HB1      ALA   9  -1.820  -8.282  -4.773
   36    HB2  ALA   9           HB2      ALA   9  -2.281  -9.974  -4.971
   37    HB3  ALA   9           HB3      ALA   9  -2.054  -8.950  -6.389
   38    H    LYS  10           H        LYS  10  -5.047 -10.300  -3.879
   39    HA   LYS  10           HA       LYS  10  -5.439  -8.458  -1.624
   40    HB2  LYS  10           HB2      LYS  10  -7.225  -9.911  -0.901
   41    HB3  LYS  10           HB3      LYS  10  -7.457  -9.527  -2.602
   42    HG2  LYS  10           HG2      LYS  10  -6.384 -11.720  -3.152
   43    HG3  LYS  10           HG3      LYS  10  -6.428 -12.097  -1.428
   44    HD2  LYS  10           HD2      LYS  10  -8.934 -11.214  -2.785
   45    HD3  LYS  10           HD3      LYS  10  -8.366 -12.868  -3.025
   46    HE2  LYS  10           HE2      LYS  10  -8.158 -12.862  -0.421
   47    HE3  LYS  10           HE3      LYS  10  -9.296 -11.519  -0.527
   48    HZ1  LYS  10           HZ1      LYS  10 -10.751 -13.235  -0.410
   49    HZ2  LYS  10           HZ2      LYS  10  -9.699 -14.349  -1.126
   50    HZ3  LYS  10           HZ3      LYS  10 -10.529 -13.231  -2.087
   51    H    DBB  11           H        DBB  11  -5.149  -9.283   0.558
   52    HA   DBB  11           HA       DBB  11  -3.802 -11.749   0.974
   53    HB2  DBB  11           HB       DBB  11  -5.220 -10.739   2.594
   54    HG1  DBB  11          HG21      DBB  11  -3.563 -12.363   3.246
   55    HG2  DBB  11          HG22      DBB  11  -3.896 -11.232   4.559
   56    HG3  DBB  11          HG23      DBB  11  -2.420 -11.070   3.604
   57    H    CYS  12           H        CYS  12  -1.595 -12.129   1.725
   58    HA   CYS  12           HA       CYS  12   0.317 -10.047   1.866
   59    HB2  CYS  12           HB2      CYS  12   0.559 -12.202   3.053
   60    HB3  CYS  12           HB3      CYS  12   0.771 -13.017   1.506
   61    H    ALA  13           H        ALA  13   0.060  -8.910  -0.115
   62    HA   ALA  13           HA       ALA  13   1.895  -9.686  -2.129
   63    HB1  ALA  13           HB1      ALA  13   0.275  -9.880  -4.005
   64    HB2  ALA  13           HB2      ALA  13   0.186 -11.209  -2.847
   65    HB3  ALA  13           HB3      ALA  13  -1.029  -9.931  -2.818
   66    H    ALA  14           H        ALA  14  -0.847  -7.714  -1.226
   67    HA   ALA  14           HA       ALA  14   0.457  -5.256  -1.727
   68    HB1  ALA  14           HB1      ALA  14  -0.384  -5.987  -4.085
   69    HB2  ALA  14           HB2      ALA  14  -1.978  -5.760  -3.372
   70    H    SER  15           H        SER  15  -2.946  -6.355  -1.830
   71    HA   SER  15           HA       SER  15  -4.094  -4.356  -0.380
   72    HB2  SER  15           HB2      SER  15  -5.308  -6.259  -1.455
   73    HB3  SER  15           HB3      SER  15  -4.830  -7.279  -0.098
   74    HG   SER  15           HG       SER  15  -6.977  -5.973  -0.158
   75    H    CYS  16           H        CYS  16  -2.459  -7.221   0.902
   76    HA   CYS  16           HA       CYS  16  -2.563  -5.995   3.581
   77    HB2  CYS  16           HB2      CYS  16  -2.158  -8.926   2.971
   78    HB3  CYS  16           HB3      CYS  16  -2.465  -8.192   4.542
   79    H    ALA  17           H        ALA  17  -0.697  -5.649   4.667
   80    HA   ALA  17           HA       ALA  17   1.716  -5.387   3.335
   81    HB1  ALA  17           HB1      ALA  17   2.742  -5.105   5.528
   82    HB2  ALA  17           HB2      ALA  17   1.202  -4.249   5.437
   83    HB3  ALA  17           HB3      ALA  17   1.307  -5.786   6.296
   84    H    ALA  18           H        ALA  18   0.297  -8.172   4.742
   85    HA   ALA  18           HA       ALA  18   0.866 -10.385   4.700
   86    HB1  ALA  18           HB1      ALA  18   2.356  -9.404   2.561
   87    HB2  ALA  18           HB2      ALA  18   3.550 -10.070   3.670
   88    H    SER  19           H        SER  19   3.873  -8.508   5.192
   89    HA   SER  19           HA       SER  19   4.751 -10.246   7.290
   90    HB2  SER  19           HB2      SER  19   6.301  -8.990   5.778
   91    HB3  SER  19           HB3      SER  19   5.802  -7.499   6.577
   92    HG   SER  19           HG       SER  19   7.463  -8.019   7.800
  Start of MODEL    7
    1    H1   ALA   1           H        ALA   1   2.974   0.739  -5.430
    2    HA   ALA   1           HA       ALA   1   0.636   0.768  -3.634
    3    HB1  ALA   1           HB1      ALA   1   1.220   2.945  -4.715
    4    HB2  ALA   1           HB2      ALA   1   0.868   2.199  -6.274
    5    HB3  ALA   1           HB3      ALA   1  -0.407   2.364  -5.067
    6    H    CYS   2           H        CYS   2  -0.453  -1.077  -3.818
    7    HA   CYS   2           HA       CYS   2  -0.377  -2.660  -6.223
    8    HB2  CYS   2           HB2      CYS   2  -0.749  -3.237  -3.560
    9    HB3  CYS   2           HB3      CYS   2  -2.379  -3.392  -4.208
   10    H    GLY   3           H        GLY   3  -2.401  -0.215  -4.916
   11    HA2  GLY   3           HA2      GLY   3  -3.998   0.912  -6.286
   12    HA3  GLY   3           HA3      GLY   3  -4.249  -0.586  -7.170
   13    H    DBB   4           H        DBB   4  -4.842  -2.423  -5.322
   14    HA   DBB   4           HA       DBB   4  -6.446  -1.712  -3.199
   15    HB2  DBB   4           HB       DBB   4  -5.670  -3.913  -3.650
   16    HG1  DBB   4          HG21      DBB   4  -7.369  -3.685  -2.051
   17    HG2  DBB   4          HG22      DBB   4  -7.731  -5.140  -2.980
   18    HG3  DBB   4          HG23      DBB   4  -8.625  -3.649  -3.287
   19    H    GLY   5           H        GLY   5  -7.622  -2.218  -6.566
   20    HA2  GLY   5           HA2      GLY   5 -10.285  -1.402  -5.859
   21    HA3  GLY   5           HA3      GLY   5  -9.370  -0.123  -6.644
   22    H    ASP   6           H        ASP   6  -7.872  -1.828  -8.392
   23    HA   ASP   6           HA       ASP   6  -9.728  -3.364  -9.960
   24    HB2  ASP   6           HB2      ASP   6  -9.453  -1.929 -12.007
   25    HB3  ASP   6           HB3      ASP   6 -10.439  -1.211 -10.736
   26    H    GLY   7           H        GLY   7  -8.272  -5.035  -9.898
   27    HA2  GLY   7           HA2      GLY   7  -6.641  -6.247 -11.090
   28    HA3  GLY   7           HA3      GLY   7  -5.949  -4.729 -11.641
   29    H    CYS   8           H        CYS   8  -6.680  -5.865  -8.356
   30    HA   CYS   8           HA       CYS   8  -3.814  -5.577  -7.729
   31    HB2  CYS   8           HB2      CYS   8  -4.637  -5.050  -5.374
   32    HB3  CYS   8           HB3      CYS   8  -4.901  -3.809  -6.594
   33    H    ALA   9           H        ALA   9  -3.160  -6.844  -5.754
   34    HA   ALA   9           HA       ALA   9  -4.297  -9.536  -5.963
   35    HB1  ALA   9           HB1      ALA   9  -1.694  -8.673  -5.997
   36    HB2  ALA   9           HB2      ALA   9  -1.891  -9.248  -4.341
   37    HB3  ALA   9           HB3      ALA   9  -2.225 -10.328  -5.694
   38    H    LYS  10           H        LYS  10  -3.702 -10.729  -3.669
   39    HA   LYS  10           HA       LYS  10  -4.815  -9.100  -1.499
   40    HB2  LYS  10           HB2      LYS  10  -5.783 -11.901  -2.061
   41    HB3  LYS  10           HB3      LYS  10  -6.435 -10.750  -0.902
   42    HG2  LYS  10           HG2      LYS  10  -6.865  -9.297  -3.029
   43    HG3  LYS  10           HG3      LYS  10  -6.756 -10.849  -3.862
   44    HD2  LYS  10           HD2      LYS  10  -8.442 -11.677  -2.107
   45    HD3  LYS  10           HD3      LYS  10  -8.723  -9.967  -1.773
   46    HE2  LYS  10           HE2      LYS  10  -8.806 -10.904  -4.598
   47    HE3  LYS  10           HE3      LYS  10 -10.169 -11.282  -3.545
   48    HZ1  LYS  10           HZ1      LYS  10 -10.186  -9.105  -4.897
   49    HZ2  LYS  10           HZ2      LYS  10  -9.142  -8.526  -3.699
   50    HZ3  LYS  10           HZ3      LYS  10 -10.690  -9.066  -3.282
   51    H    DBB  11           H        DBB  11  -4.484 -10.049   0.648
   52    HA   DBB  11           HA       DBB  11  -2.676 -12.269   0.853
   53    HB2  DBB  11           HB       DBB  11  -4.415 -11.896   2.431
   54    HG1  DBB  11          HG21      DBB  11  -3.248 -12.569   4.336
   55    HG2  DBB  11          HG22      DBB  11  -1.811 -11.654   3.878
   56    HG3  DBB  11          HG23      DBB  11  -2.277 -13.087   2.959
   57    H    CYS  12           H        CYS  12  -0.536 -12.210   1.954
   58    HA   CYS  12           HA       CYS  12   0.764  -9.697   2.361
   59    HB2  CYS  12           HB2      CYS  12   1.235 -11.841   3.629
   60    HB3  CYS  12           HB3      CYS  12   2.081 -12.410   2.193
   61    H    ALA  13           H        ALA  13   0.552  -8.719   0.281
   62    HA   ALA  13           HA       ALA  13   2.837  -9.003  -1.348
   63    HB1  ALA  13           HB1      ALA  13   1.492 -11.034  -2.032
   64    HB2  ALA  13           HB2      ALA  13   0.328  -9.910  -2.736
   65    HB3  ALA  13           HB3      ALA  13   1.987  -9.952  -3.335
   66    H    ALA  14           H        ALA  14  -0.454  -7.893  -1.030
   67    HA   ALA  14           HA       ALA  14   0.256  -5.215  -1.840
   68    HB1  ALA  14           HB1      ALA  14  -1.278  -6.993  -3.580
   69    HB2  ALA  14           HB2      ALA  14  -2.194  -5.594  -3.031
   70    H    SER  15           H        SER  15  -2.792  -7.026  -1.384
   71    HA   SER  15           HA       SER  15  -4.089  -5.045   0.072
   72    HB2  SER  15           HB2      SER  15  -5.299  -6.922  -0.897
   73    HB3  SER  15           HB3      SER  15  -4.477  -8.046   0.185
   74    HG   SER  15           HG       SER  15  -6.703  -7.172   0.736
   75    H    CYS  16           H        CYS  16  -2.993  -8.104   1.529
   76    HA   CYS  16           HA       CYS  16  -2.801  -6.835   4.119
   77    HB2  CYS  16           HB2      CYS  16  -1.903  -9.639   3.505
   78    HB3  CYS  16           HB3      CYS  16  -2.551  -8.994   5.010
   79    H    ALA  17           H        ALA  17  -0.888  -6.896   5.443
   80    HA   ALA  17           HA       ALA  17   1.528  -6.423   3.864
   81    HB1  ALA  17           HB1      ALA  17   2.398  -5.300   5.817
   82    HB2  ALA  17           HB2      ALA  17   0.781  -4.693   5.459
   83    HB3  ALA  17           HB3      ALA  17   1.021  -5.838   6.779
   84    H    ALA  18           H        ALA  18   0.127  -8.871   5.602
   85    HA   ALA  18           HA       ALA  18   0.836 -10.943   6.252
   86    HB1  ALA  18           HB1      ALA  18   3.699 -10.359   5.723
   87    HB2  ALA  18           HB2      ALA  18   2.760 -11.822   5.445
   88    H    SER  19           H        SER  19   3.565  -8.751   6.998
   89    HA   SER  19           HA       SER  19   2.998  -9.087   9.846
   90    HB2  SER  19           HB2      SER  19   5.850  -9.349   8.988
   91    HB3  SER  19           HB3      SER  19   5.049  -9.984  10.425
   92    HG   SER  19           HG       SER  19   5.316 -11.730   9.160
  Start of MODEL    8
    1    H1   ALA   1           H        ALA   1  -0.243   0.140   0.210
    2    HA   ALA   1           HA       ALA   1   1.304   1.936  -1.512
    3    HB1  ALA   1           HB1      ALA   1   1.957  -0.608  -0.071
    4    HB2  ALA   1           HB2      ALA   1   2.977  -0.017  -1.383
    5    HB3  ALA   1           HB3      ALA   1   2.728   0.973   0.055
    6    H    CYS   2           H        CYS   2  -0.692  -0.895  -1.598
    7    HA   CYS   2           HA       CYS   2   0.164  -1.732  -4.221
    8    HB2  CYS   2           HB2      CYS   2  -0.715  -3.294  -2.447
    9    HB3  CYS   2           HB3      CYS   2  -2.309  -2.597  -2.717
   10    H    GLY   3           H        GLY   3  -2.258   0.354  -2.871
   11    HA2  GLY   3           HA2      GLY   3  -3.372   2.030  -4.098
   12    HA3  GLY   3           HA3      GLY   3  -3.046   1.134  -5.574
   13    H    DBB   4           H        DBB   4  -4.028  -1.386  -4.264
   14    HA   DBB   4           HA       DBB   4  -6.647  -1.128  -3.417
   15    HB2  DBB   4           HB       DBB   4  -5.360  -3.122  -3.286
   16    HG1  DBB   4          HG21      DBB   4  -7.624  -3.395  -2.901
   17    HG2  DBB   4          HG22      DBB   4  -7.190  -4.729  -3.969
   18    HG3  DBB   4          HG23      DBB   4  -8.020  -3.313  -4.616
   19    H    GLY   5           H        GLY   5  -5.540  -1.309  -6.821
   20    HA2  GLY   5           HA2      GLY   5  -8.123  -0.129  -7.558
   21    HA3  GLY   5           HA3      GLY   5  -6.659  -0.092  -8.529
   22    H    ASP   6           H        ASP   6  -7.389  -0.974 -10.395
   23    HA   ASP   6           HA       ASP   6  -9.055  -3.318 -10.420
   24    HB2  ASP   6           HB2      ASP   6  -8.945  -1.375 -12.155
   25    HB3  ASP   6           HB3      ASP   6  -7.592  -2.281 -12.828
   26    H    GLY   7           H        GLY   7  -8.490  -5.405 -10.823
   27    HA2  GLY   7           HA2      GLY   7  -7.155  -7.254 -11.132
   28    HA3  GLY   7           HA3      GLY   7  -5.959  -6.191 -11.859
   29    H    CYS   8           H        CYS   8  -6.887  -5.165  -8.777
   30    HA   CYS   8           HA       CYS   8  -4.305  -5.580  -7.694
   31    HB2  CYS   8           HB2      CYS   8  -6.355  -3.923  -7.083
   32    HB3  CYS   8           HB3      CYS   8  -6.545  -5.127  -5.812
   33    H    ALA   9           H        ALA   9  -3.862  -6.744  -5.652
   34    HA   ALA   9           HA       ALA   9  -5.196  -9.364  -5.678
   35    HB1  ALA   9           HB1      ALA   9  -2.776  -9.345  -6.167
   36    HB2  ALA   9           HB2      ALA   9  -2.483  -8.660  -4.567
   37    HB3  ALA   9           HB3      ALA   9  -3.175 -10.274  -4.722
   38    H    LYS  10           H        LYS  10  -4.891 -10.482  -3.404
   39    HA   LYS  10           HA       LYS  10  -5.653  -8.569  -1.302
   40    HB2  LYS  10           HB2      LYS  10  -7.416 -10.002  -0.544
   41    HB3  LYS  10           HB3      LYS  10  -7.646  -9.741  -2.268
   42    HG2  LYS  10           HG2      LYS  10  -6.452 -11.945  -2.622
   43    HG3  LYS  10           HG3      LYS  10  -6.622 -12.200  -0.884
   44    HD2  LYS  10           HD2      LYS  10  -9.078 -11.885  -1.143
   45    HD3  LYS  10           HD3      LYS  10  -8.841 -11.805  -2.890
   46    HE2  LYS  10           HE2      LYS  10  -7.986 -14.052  -2.927
   47    HE3  LYS  10           HE3      LYS  10  -8.010 -14.136  -1.167
   48    HZ1  LYS  10           HZ1      LYS  10 -10.458 -13.832  -1.304
   49    HZ2  LYS  10           HZ2      LYS  10  -9.908 -15.278  -1.986
   50    HZ3  LYS  10           HZ3      LYS  10 -10.349 -13.987  -2.985
   51    H    DBB  11           H        DBB  11  -5.222  -9.254   0.867
   52    HA   DBB  11           HA       DBB  11  -3.879 -11.714   1.356
   53    HB2  DBB  11           HB       DBB  11  -5.231 -10.619   2.976
   54    HG1  DBB  11          HG21      DBB  11  -3.936 -11.132   4.877
   55    HG2  DBB  11          HG22      DBB  11  -2.431 -10.809   4.015
   56    HG3  DBB  11          HG23      DBB  11  -3.422 -12.201   3.573
   57    H    CYS  12           H        CYS  12  -1.643 -12.033   2.113
   58    HA   CYS  12           HA       CYS  12   0.273  -9.962   2.045
   59    HB2  CYS  12           HB2      CYS  12   0.562 -12.042   3.342
   60    HB3  CYS  12           HB3      CYS  12   0.707 -12.949   1.840
   61    H    ALA  13           H        ALA  13   0.015  -8.917   0.035
   62    HA   ALA  13           HA       ALA  13   1.761  -9.796  -1.996
   63    HB1  ALA  13           HB1      ALA  13  -1.172 -10.068  -2.643
   64    HB2  ALA  13           HB2      ALA  13   0.149 -10.190  -3.805
   65    HB3  ALA  13           HB3      ALA  13  -0.003 -11.383  -2.514
   66    H    ALA  14           H        ALA  14  -0.972  -7.810  -1.112
   67    HA   ALA  14           HA       ALA  14   0.273  -5.372  -1.818
   68    HB1  ALA  14           HB1      ALA  14  -0.607  -6.185  -4.096
   69    HB2  ALA  14           HB2      ALA  14  -2.196  -6.087  -3.343
   70    H    SER  15           H        SER  15  -3.131  -6.460  -1.740
   71    HA   SER  15           HA       SER  15  -4.219  -4.401  -0.338
   72    HB2  SER  15           HB2      SER  15  -5.496  -6.321  -1.265
   73    HB3  SER  15           HB3      SER  15  -4.934  -7.313   0.079
   74    HG   SER  15           HG       SER  15  -7.070  -5.882   0.065
   75    H    CYS  16           H        CYS  16  -2.531  -7.199   1.017
   76    HA   CYS  16           HA       CYS  16  -2.535  -5.846   3.636
   77    HB2  CYS  16           HB2      CYS  16  -2.151  -8.803   3.146
   78    HB3  CYS  16           HB3      CYS  16  -2.387  -7.999   4.694
   79    H    ALA  17           H        ALA  17  -0.633  -5.386   4.587
   80    HA   ALA  17           HA       ALA  17   1.723  -5.200   3.168
   81    HB1  ALA  17           HB1      ALA  17   2.591  -4.290   5.038
   82    HB2  ALA  17           HB2      ALA  17   0.918  -4.349   5.595
   83    HB3  ALA  17           HB3      ALA  17   2.050  -5.618   6.065
   84    H    ALA  18           H        ALA  18   0.414  -7.908   4.848
   85    HA   ALA  18           HA       ALA  18   0.995 -10.119   4.900
   86    HB1  ALA  18           HB1      ALA  18   2.264  -9.300   2.576
   87    HB2  ALA  18           HB2      ALA  18   3.582  -9.825   3.618
   88    H    SER  19           H        SER  19   4.017  -8.205   5.018
   89    HA   SER  19           HA       SER  19   4.667  -9.585   7.536
   90    HB2  SER  19           HB2      SER  19   6.415  -8.362   5.404
   91    HB3  SER  19           HB3      SER  19   7.033  -8.749   7.010
   92    HG   SER  19           HG       SER  19   7.402 -10.524   5.755
  Start of MODEL    9
    1    H1   ALA   1           H        ALA   1   4.351  -0.266  -5.463
    2    HA   ALA   1           HA       ALA   1   2.757  -1.586  -3.584
    3    HB1  ALA   1           HB1      ALA   1   1.663   0.949  -4.557
    4    HB2  ALA   1           HB2      ALA   1   2.168   0.476  -2.934
    5    HB3  ALA   1           HB3      ALA   1   3.367   1.017  -4.108
    6    H    CYS   2           H        CYS   2   0.353  -1.566  -3.513
    7    HA   CYS   2           HA       CYS   2  -0.715  -2.459  -6.100
    8    HB2  CYS   2           HB2      CYS   2  -1.228  -3.222  -3.269
    9    HB3  CYS   2           HB3      CYS   2  -2.583  -3.310  -4.389
   10    H    GLY   3           H        GLY   3  -2.204  -1.284  -7.116
   11    HA2  GLY   3           HA2      GLY   3  -3.000   1.252  -6.294
   12    HA3  GLY   3           HA3      GLY   3  -3.808   0.303  -7.533
   13    H    DBB   4           H        DBB   4  -4.400  -1.858  -5.555
   14    HA   DBB   4           HA       DBB   4  -5.865  -0.929  -3.409
   15    HB2  DBB   4           HB       DBB   4  -5.291  -3.204  -3.790
   16    HG1  DBB   4          HG21      DBB   4  -6.860  -3.859  -2.389
   17    HG2  DBB   4          HG22      DBB   4  -8.156  -3.581  -3.552
   18    HG3  DBB   4          HG23      DBB   4  -7.527  -2.240  -2.593
   19    H    GLY   5           H        GLY   5  -7.155  -1.422  -6.732
   20    HA2  GLY   5           HA2      GLY   5  -9.728  -0.371  -5.983
   21    HA3  GLY   5           HA3      GLY   5  -8.732   0.795  -6.841
   22    H    ASP   6           H        ASP   6  -7.436  -1.086  -8.565
   23    HA   ASP   6           HA       ASP   6  -9.418  -2.562 -10.009
   24    HB2  ASP   6           HB2      ASP   6  -9.023   0.218 -10.668
   25    HB3  ASP   6           HB3      ASP   6  -8.535  -0.801 -12.020
   26    H    GLY   7           H        GLY   7  -7.830  -4.182  -9.684
   27    HA2  GLY   7           HA2      GLY   7  -6.377  -5.450 -11.178
   28    HA3  GLY   7           HA3      GLY   7  -5.552  -3.943 -11.547
   29    H    CYS   8           H        CYS   8  -6.517  -5.231  -8.390
   30    HA   CYS   8           HA       CYS   8  -3.662  -5.379  -7.676
   31    HB2  CYS   8           HB2      CYS   8  -4.524  -4.809  -5.308
   32    HB3  CYS   8           HB3      CYS   8  -4.401  -3.505  -6.485
   33    H    ALA   9           H        ALA   9  -3.228  -6.816  -5.797
   34    HA   ALA   9           HA       ALA   9  -4.831  -9.253  -6.052
   35    HB1  ALA   9           HB1      ALA   9  -2.393  -9.376  -6.453
   36    HB2  ALA   9           HB2      ALA   9  -2.122  -8.905  -4.775
   37    HB3  ALA   9           HB3      ALA   9  -2.934 -10.427  -5.144
   38    H    LYS  10           H        LYS  10  -4.260 -10.554  -3.728
   39    HA   LYS  10           HA       LYS  10  -5.194  -8.815  -1.559
   40    HB2  LYS  10           HB2      LYS  10  -6.947 -10.321  -0.926
   41    HB3  LYS  10           HB3      LYS  10  -7.154  -9.946  -2.632
   42    HG2  LYS  10           HG2      LYS  10  -6.093 -12.083  -3.214
   43    HG3  LYS  10           HG3      LYS  10  -5.944 -12.460  -1.496
   44    HD2  LYS  10           HD2      LYS  10  -8.396 -12.320  -1.280
   45    HD3  LYS  10           HD3      LYS  10  -8.515 -12.009  -3.014
   46    HE2  LYS  10           HE2      LYS  10  -8.927 -14.298  -2.825
   47    HE3  LYS  10           HE3      LYS  10  -7.230 -14.212  -3.295
   48    HZ1  LYS  10           HZ1      LYS  10  -7.620 -15.798  -1.495
   49    HZ2  LYS  10           HZ2      LYS  10  -8.210 -14.554  -0.513
   50    HZ3  LYS  10           HZ3      LYS  10  -6.593 -14.545  -1.007
   51    H    DBB  11           H        DBB  11  -5.044  -9.911   0.595
   52    HA   DBB  11           HA       DBB  11  -3.404 -12.240   0.781
   53    HB2  DBB  11           HB       DBB  11  -5.097 -11.720   2.367
   54    HG1  DBB  11          HG21      DBB  11  -3.098 -13.108   2.877
   55    HG2  DBB  11          HG22      DBB  11  -3.975 -12.497   4.281
   56    HG3  DBB  11          HG23      DBB  11  -2.464 -11.734   3.780
   57    H    CYS  12           H        CYS  12  -1.278 -12.359   1.948
   58    HA   CYS  12           HA       CYS  12   0.249  -9.996   2.362
   59    HB2  CYS  12           HB2      CYS  12   0.654 -12.041   3.652
   60    HB3  CYS  12           HB3      CYS  12   1.140 -12.882   2.183
   61    H    ALA  13           H        ALA  13   0.123  -8.925   0.329
   62    HA   ALA  13           HA       ALA  13   2.348  -9.361  -1.344
   63    HB1  ALA  13           HB1      ALA  13   1.544 -10.389  -3.207
   64    HB2  ALA  13           HB2      ALA  13   0.517 -11.165  -2.001
   65    HB3  ALA  13           HB3      ALA  13  -0.104  -9.815  -2.950
   66    H    ALA  14           H        ALA  14  -0.828  -7.969  -0.953
   67    HA   ALA  14           HA       ALA  14   0.108  -5.332  -1.626
   68    HB1  ALA  14           HB1      ALA  14  -1.523  -6.888  -3.496
   69    HB2  ALA  14           HB2      ALA  14  -2.312  -5.426  -2.914
   70    H    SER  15           H        SER  15  -3.160  -6.748  -1.486
   71    HA   SER  15           HA       SER  15  -4.345  -4.812   0.035
   72    HB2  SER  15           HB2      SER  15  -5.615  -6.624  -0.996
   73    HB3  SER  15           HB3      SER  15  -4.902  -7.787   0.122
   74    HG   SER  15           HG       SER  15  -6.535  -7.314   1.348
   75    H    CYS  16           H        CYS  16  -3.595  -7.943   1.535
   76    HA   CYS  16           HA       CYS  16  -3.460  -6.796   4.141
   77    HB2  CYS  16           HB2      CYS  16  -2.460  -9.523   3.311
   78    HB3  CYS  16           HB3      CYS  16  -2.976  -9.013   4.915
   79    H    ALA  17           H        ALA  17  -1.769  -6.020   5.239
   80    HA   ALA  17           HA       ALA  17   0.625  -5.316   4.042
   81    HB1  ALA  17           HB1      ALA  17   1.443  -5.196   6.510
   82    HB2  ALA  17           HB2      ALA  17   0.155  -4.123   5.960
   83    HB3  ALA  17           HB3      ALA  17  -0.239  -5.568   6.890
   84    H    ALA  18           H        ALA  18  -0.321  -8.311   5.418
   85    HA   ALA  18           HA       ALA  18   0.658 -10.376   5.443
   86    HB1  ALA  18           HB1      ALA  18   2.089  -9.109   3.395
   87    HB2  ALA  18           HB2      ALA  18   3.295  -9.615   4.574
   88    H    SER  19           H        SER  19   3.236  -7.973   6.063
   89    HA   SER  19           HA       SER  19   4.193  -9.505   8.313
   90    HB2  SER  19           HB2      SER  19   5.940  -7.848   8.476
   91    HB3  SER  19           HB3      SER  19   5.712  -8.236   6.771
   92    HG   SER  19           HG       SER  19   4.149  -6.307   6.977
  Start of MODEL   10
    1    H1   ALA   1           H        ALA   1   0.811  -1.869   1.599
    2    HA   ALA   1           HA       ALA   1   1.067   0.486  -0.117
    3    HB1  ALA   1           HB1      ALA   1   3.124  -0.309   0.853
    4    HB2  ALA   1           HB2      ALA   1   2.844  -1.927   0.211
    5    HB3  ALA   1           HB3      ALA   1   3.160  -0.585  -0.888
    6    H    CYS   2           H        CYS   2  -0.901   0.082  -1.288
    7    HA   CYS   2           HA       CYS   2  -0.461  -1.455  -3.659
    8    HB2  CYS   2           HB2      CYS   2  -1.325  -3.100  -1.839
    9    HB3  CYS   2           HB3      CYS   2  -2.878  -2.310  -2.092
   10    H    GLY   3           H        GLY   3  -1.349  -0.354  -5.277
   11    HA2  GLY   3           HA2      GLY   3  -2.867   1.970  -4.903
   12    HA3  GLY   3           HA3      GLY   3  -2.674   1.122  -6.430
   13    H    DBB   4           H        DBB   4  -3.866  -1.308  -4.911
   14    HA   DBB   4           HA       DBB   4  -6.522  -0.585  -4.294
   15    HB2  DBB   4           HB       DBB   4  -5.454  -2.547  -3.482
   16    HG1  DBB   4          HG21      DBB   4  -7.392  -3.575  -3.165
   17    HG2  DBB   4          HG22      DBB   4  -7.687  -3.796  -4.890
   18    HG3  DBB   4          HG23      DBB   4  -8.038  -2.245  -4.124
   19    H    GLY   5           H        GLY   5  -5.239  -2.028  -7.336
   20    HA2  GLY   5           HA2      GLY   5  -7.254  -0.585  -8.817
   21    HA3  GLY   5           HA3      GLY   5  -5.999  -1.616  -9.489
   22    H    ASP   6           H        ASP   6  -8.165  -1.972 -10.785
   23    HA   ASP   6           HA       ASP   6 -10.140  -3.656  -9.671
   24    HB2  ASP   6           HB2      ASP   6 -10.522  -2.358 -11.717
   25    HB3  ASP   6           HB3      ASP   6  -9.311  -3.319 -12.562
   26    H    GLY   7           H        GLY   7  -6.929  -4.257 -10.571
   27    HA2  GLY   7           HA2      GLY   7  -7.463  -7.162 -10.682
   28    HA3  GLY   7           HA3      GLY   7  -6.135  -6.386 -11.532
   29    H    CYS   8           H        CYS   8  -6.742  -5.118  -8.433
   30    HA   CYS   8           HA       CYS   8  -4.220  -5.639  -7.423
   31    HB2  CYS   8           HB2      CYS   8  -6.486  -4.296  -6.543
   32    HB3  CYS   8           HB3      CYS   8  -6.240  -5.542  -5.324
   33    H    ALA   9           H        ALA   9  -3.522  -7.036  -5.687
   34    HA   ALA   9           HA       ALA   9  -4.734  -9.696  -5.901
   35    HB1  ALA   9           HB1      ALA   9  -2.039  -8.919  -4.792
   36    HB2  ALA   9           HB2      ALA   9  -2.626 -10.557  -5.078
   37    HB3  ALA   9           HB3      ALA   9  -2.341  -9.472  -6.439
   38    H    LYS  10           H        LYS  10  -4.423 -11.052  -3.819
   39    HA   LYS  10           HA       LYS  10  -5.323  -9.439  -1.521
   40    HB2  LYS  10           HB2      LYS  10  -6.134 -12.273  -2.195
   41    HB3  LYS  10           HB3      LYS  10  -6.716 -11.319  -0.837
   42    HG2  LYS  10           HG2      LYS  10  -7.121  -9.960  -3.361
   43    HG3  LYS  10           HG3      LYS  10  -7.895 -11.546  -3.325
   44    HD2  LYS  10           HD2      LYS  10  -9.257 -10.981  -1.531
   45    HD3  LYS  10           HD3      LYS  10  -8.202  -9.661  -1.019
   46    HE2  LYS  10           HE2      LYS  10  -9.745  -9.638  -3.604
   47    HE3  LYS  10           HE3      LYS  10 -10.378  -8.978  -2.098
   48    HZ1  LYS  10           HZ1      LYS  10  -9.418  -7.196  -3.286
   49    HZ2  LYS  10           HZ2      LYS  10  -8.002  -8.061  -3.613
   50    HZ3  LYS  10           HZ3      LYS  10  -8.338  -7.555  -2.035
   51    H    DBB  11           H        DBB  11  -4.811 -10.305   0.605
   52    HA   DBB  11           HA       DBB  11  -2.959 -12.453   0.835
   53    HB2  DBB  11           HB       DBB  11  -4.534 -11.902   2.529
   54    HG1  DBB  11          HG21      DBB  11  -1.748 -11.619   3.575
   55    HG2  DBB  11          HG22      DBB  11  -2.464 -13.132   3.016
   56    HG3  DBB  11          HG23      DBB  11  -3.134 -12.302   4.423
   57    H    CYS  12           H        CYS  12  -0.710 -12.382   1.571
   58    HA   CYS  12           HA       CYS  12   0.697  -9.944   1.853
   59    HB2  CYS  12           HB2      CYS  12   1.432 -12.067   2.882
   60    HB3  CYS  12           HB3      CYS  12   1.788 -12.708   1.281
   61    H    ALA  13           H        ALA  13   0.183  -8.745  -0.030
   62    HA   ALA  13           HA       ALA  13   2.101  -8.954  -2.099
   63    HB1  ALA  13           HB1      ALA  13   0.537  -9.371  -3.984
   64    HB2  ALA  13           HB2      ALA  13   0.760 -10.764  -2.925
   65    HB3  ALA  13           HB3      ALA  13  -0.706  -9.792  -2.806
   66    H    ALA  14           H        ALA  14  -0.987  -7.706  -1.043
   67    HA   ALA  14           HA       ALA  14  -0.274  -4.993  -1.365
   68    HB1  ALA  14           HB1      ALA  14  -0.964  -5.722  -3.773
   69    HB2  ALA  14           HB2      ALA  14  -2.559  -5.902  -3.048
   70    H    SER  15           H        SER  15  -3.346  -6.816  -1.555
   71    HA   SER  15           HA       SER  15  -4.890  -5.232   0.034
   72    HB2  SER  15           HB2      SER  15  -5.686  -7.257  -1.176
   73    HB3  SER  15           HB3      SER  15  -4.945  -8.259   0.071
   74    HG   SER  15           HG       SER  15  -6.841  -8.040   0.972
   75    H    CYS  16           H        CYS  16  -2.647  -7.750   1.107
   76    HA   CYS  16           HA       CYS  16  -2.982  -6.774   3.868
   77    HB2  CYS  16           HB2      CYS  16  -1.945  -9.489   3.043
   78    HB3  CYS  16           HB3      CYS  16  -2.384  -8.959   4.663
   79    H    ALA  17           H        ALA  17  -1.217  -6.137   5.003
   80    HA   ALA  17           HA       ALA  17   1.059  -5.236   3.694
   81    HB1  ALA  17           HB1      ALA  17   1.688  -4.413   5.698
   82    HB2  ALA  17           HB2      ALA  17   0.049  -4.873   6.161
   83    HB3  ALA  17           HB3      ALA  17   1.404  -5.938   6.537
   84    H    ALA  18           H        ALA  18   0.300  -8.364   4.859
   85    HA   ALA  18           HA       ALA  18   1.344 -10.387   4.650
   86    HB1  ALA  18           HB1      ALA  18   2.589  -8.917   2.629
   87    HB2  ALA  18           HB2      ALA  18   3.893  -9.430   3.695
   88    H    SER  19           H        SER  19   3.871  -7.947   5.332
   89    HA   SER  19           HA       SER  19   4.499  -9.457   7.785
   90    HB2  SER  19           HB2      SER  19   6.368  -7.981   5.921
   91    HB3  SER  19           HB3      SER  19   6.842  -8.573   7.512
   92    HG   SER  19           HG       SER  19   6.102 -10.041   5.221
  Start of MODEL   11
    1    H1   ALA   1           H        ALA   1   4.921  -0.296  -4.569
    2    HA   ALA   1           HA       ALA   1   2.507   0.756  -4.278
    3    HB1  ALA   1           HB1      ALA   1   3.799   0.273  -6.960
    4    HB2  ALA   1           HB2      ALA   1   2.516   1.441  -6.643
    5    HB3  ALA   1           HB3      ALA   1   4.094   1.637  -5.881
    6    H    CYS   2           H        CYS   2   0.609  -0.213  -3.977
    7    HA   CYS   2           HA       CYS   2  -0.229  -2.263  -5.922
    8    HB2  CYS   2           HB2      CYS   2   0.128  -3.292  -3.749
    9    HB3  CYS   2           HB3      CYS   2  -0.893  -2.083  -2.977
   10    H    GLY   3           H        GLY   3  -1.995  -1.801  -7.065
   11    HA2  GLY   3           HA2      GLY   3  -3.287   0.652  -7.001
   12    HA3  GLY   3           HA3      GLY   3  -3.946  -0.799  -7.742
   13    H    DBB   4           H        DBB   4  -4.198  -2.371  -5.393
   14    HA   DBB   4           HA       DBB   4  -5.398  -1.269  -3.226
   15    HB2  DBB   4           HB       DBB   4  -4.962  -3.586  -3.523
   16    HG1  DBB   4          HG21      DBB   4  -7.755  -2.897  -2.733
   17    HG2  DBB   4          HG22      DBB   4  -6.327  -2.985  -1.702
   18    HG3  DBB   4          HG23      DBB   4  -7.009  -4.458  -2.394
   19    H    GLY   5           H        GLY   5  -7.193  -1.959  -6.272
   20    HA2  GLY   5           HA2      GLY   5  -9.577  -0.715  -5.244
   21    HA3  GLY   5           HA3      GLY   5  -8.681   0.320  -6.347
   22    H    ASP   6           H        ASP   6  -7.773  -1.514  -8.197
   23    HA   ASP   6           HA       ASP   6 -10.022  -3.069  -9.149
   24    HB2  ASP   6           HB2      ASP   6  -9.110  -0.541 -10.500
   25    HB3  ASP   6           HB3      ASP   6  -9.855  -1.844 -11.421
   26    H    GLY   7           H        GLY   7  -8.689  -4.859  -9.096
   27    HA2  GLY   7           HA2      GLY   7  -7.468  -6.361 -10.464
   28    HA3  GLY   7           HA3      GLY   7  -6.734  -4.985 -11.274
   29    H    CYS   8           H        CYS   8  -6.976  -5.717  -7.809
   30    HA   CYS   8           HA       CYS   8  -4.029  -5.712  -7.709
   31    HB2  CYS   8           HB2      CYS   8  -4.353  -4.925  -5.316
   32    HB3  CYS   8           HB3      CYS   8  -4.768  -3.762  -6.571
   33    H    ALA   9           H        ALA   9  -3.067  -7.009  -5.990
   34    HA   ALA   9           HA       ALA   9  -4.325  -9.594  -5.827
   35    HB1  ALA   9           HB1      ALA   9  -1.876  -9.250  -6.201
   36    HB2  ALA   9           HB2      ALA   9  -1.755  -8.717  -4.524
   37    HB3  ALA   9           HB3      ALA   9  -2.271 -10.363  -4.891
   38    H    LYS  10           H        LYS  10  -4.557 -10.776  -3.795
   39    HA   LYS  10           HA       LYS  10  -5.426  -8.995  -1.616
   40    HB2  LYS  10           HB2      LYS  10  -6.824 -11.039  -0.944
   41    HB3  LYS  10           HB3      LYS  10  -7.336 -10.134  -2.362
   42    HG2  LYS  10           HG2      LYS  10  -5.493 -12.289  -3.005
   43    HG3  LYS  10           HG3      LYS  10  -6.970 -12.851  -2.218
   44    HD2  LYS  10           HD2      LYS  10  -8.271 -11.516  -3.884
   45    HD3  LYS  10           HD3      LYS  10  -6.753 -11.179  -4.720
   46    HE2  LYS  10           HE2      LYS  10  -7.736 -13.015  -5.842
   47    HE3  LYS  10           HE3      LYS  10  -6.422 -13.676  -4.870
   48    HZ1  LYS  10           HZ1      LYS  10  -7.841 -14.933  -3.743
   49    HZ2  LYS  10           HZ2      LYS  10  -9.032 -14.508  -4.866
   50    HZ3  LYS  10           HZ3      LYS  10  -8.877 -13.633  -3.426
   51    H    DBB  11           H        DBB  11  -5.028  -9.636   0.559
   52    HA   DBB  11           HA       DBB  11  -3.377 -11.933   1.045
   53    HB2  DBB  11           HB       DBB  11  -5.065 -11.241   2.569
   54    HG1  DBB  11          HG21      DBB  11  -2.896 -12.429   3.186
   55    HG2  DBB  11          HG22      DBB  11  -3.949 -11.864   4.484
   56    HG3  DBB  11          HG23      DBB  11  -2.505 -10.945   4.054
   57    H    CYS  12           H        CYS  12  -1.219 -11.893   2.092
   58    HA   CYS  12           HA       CYS  12   0.274  -9.509   2.333
   59    HB2  CYS  12           HB2      CYS  12   0.683 -11.773   3.469
   60    HB3  CYS  12           HB3      CYS  12   1.482 -12.246   1.973
   61    H    ALA  13           H        ALA  13   0.168  -8.368   0.396
   62    HA   ALA  13           HA       ALA  13   2.234  -8.790  -1.437
   63    HB1  ALA  13           HB1      ALA  13   0.582  -9.196  -3.444
   64    HB2  ALA  13           HB2      ALA  13   1.245 -10.546  -2.521
   65    HB3  ALA  13           HB3      ALA  13  -0.390  -9.972  -2.194
   66    H    ALA  14           H        ALA  14  -0.917  -7.437  -0.821
   67    HA   ALA  14           HA       ALA  14  -0.120  -4.773  -1.364
   68    HB1  ALA  14           HB1      ALA  14  -0.628  -5.586  -3.719
   69    HB2  ALA  14           HB2      ALA  14  -2.236  -5.968  -3.112
   70    H    SER  15           H        SER  15  -3.218  -6.552  -1.528
   71    HA   SER  15           HA       SER  15  -4.754  -4.749  -0.132
   72    HB2  SER  15           HB2      SER  15  -5.670  -6.716  -1.306
   73    HB3  SER  15           HB3      SER  15  -5.010  -7.767  -0.053
   74    HG   SER  15           HG       SER  15  -7.057  -7.416   0.585
   75    H    CYS  16           H        CYS  16  -2.697  -7.317   1.145
   76    HA   CYS  16           HA       CYS  16  -3.070  -6.173   3.836
   77    HB2  CYS  16           HB2      CYS  16  -2.364  -9.059   3.340
   78    HB3  CYS  16           HB3      CYS  16  -2.971  -8.319   4.818
   79    H    ALA  17           H        ALA  17  -1.208  -6.587   5.307
   80    HA   ALA  17           HA       ALA  17   1.294  -6.177   3.835
   81    HB1  ALA  17           HB1      ALA  17   2.160  -5.206   5.881
   82    HB2  ALA  17           HB2      ALA  17   0.626  -4.448   5.451
   83    HB3  ALA  17           HB3      ALA  17   0.685  -5.649   6.741
   84    H    ALA  18           H        ALA  18  -0.346  -8.582   5.410
   85    HA   ALA  18           HA       ALA  18   0.191 -10.723   6.000
   86    HB1  ALA  18           HB1      ALA  18   3.108 -10.246   5.590
   87    HB2  ALA  18           HB2      ALA  18   2.142 -11.694   5.324
   88    H    SER  19           H        SER  19   3.038  -8.785   6.972
   89    HA   SER  19           HA       SER  19   2.991  -9.951   9.605
   90    HB2  SER  19           HB2      SER  19   4.994  -8.662  10.018
   91    HB3  SER  19           HB3      SER  19   5.108  -9.362   8.404
   92    HG   SER  19           HG       SER  19   5.376  -6.854   9.022
  Start of MODEL   12
    1    H1   ALA   1           H        ALA   1   1.498   0.686  -3.156
    2    HA   ALA   1           HA       ALA   1   2.640   0.905  -5.779
    3    HB1  ALA   1           HB1      ALA   1   3.026  -1.501  -4.057
    4    HB2  ALA   1           HB2      ALA   1   4.178  -0.668  -5.102
    5    HB3  ALA   1           HB3      ALA   1   3.711   0.046  -3.558
    6    H    CYS   2           H        CYS   2   0.346  -1.257  -4.187
    7    HA   CYS   2           HA       CYS   2   0.096  -2.968  -6.493
    8    HB2  CYS   2           HB2      CYS   2  -0.342  -3.387  -3.863
    9    HB3  CYS   2           HB3      CYS   2  -1.985  -3.031  -4.385
   10    H    GLY   3           H        GLY   3  -1.482  -0.145  -5.230
   11    HA2  GLY   3           HA2      GLY   3  -2.728   1.254  -6.757
   12    HA3  GLY   3           HA3      GLY   3  -3.305  -0.206  -7.546
   13    H    DBB   4           H        DBB   4  -4.096  -1.695  -5.318
   14    HA   DBB   4           HA       DBB   4  -5.607  -0.401  -3.424
   15    HB2  DBB   4           HB       DBB   4  -5.148  -2.734  -3.452
   16    HG1  DBB   4          HG21      DBB   4  -6.820  -3.135  -2.065
   17    HG2  DBB   4          HG22      DBB   4  -8.050  -2.889  -3.305
   18    HG3  DBB   4          HG23      DBB   4  -7.340  -1.502  -2.476
   19    H    GLY   5           H        GLY   5  -6.782  -1.283  -6.708
   20    HA2  GLY   5           HA2      GLY   5  -9.369  -0.183  -6.303
   21    HA3  GLY   5           HA3      GLY   5  -8.306   1.013  -7.030
   22    H    ASP   6           H        ASP   6  -9.714  -2.190  -7.454
   23    HA   ASP   6           HA       ASP   6 -10.269  -3.376  -9.314
   24    HB2  ASP   6           HB2      ASP   6 -10.326  -0.556 -10.252
   25    HB3  ASP   6           HB3      ASP   6 -10.329  -1.811 -11.488
   26    H    GLY   7           H        GLY   7  -7.974  -4.182  -8.815
   27    HA2  GLY   7           HA2      GLY   7  -6.619  -5.193 -10.785
   28    HA3  GLY   7           HA3      GLY   7  -6.107  -3.524 -10.987
   29    H    CYS   8           H        CYS   8  -6.660  -5.221  -7.939
   30    HA   CYS   8           HA       CYS   8  -3.766  -5.185  -7.434
   31    HB2  CYS   8           HB2      CYS   8  -4.436  -4.554  -5.011
   32    HB3  CYS   8           HB3      CYS   8  -4.395  -3.285  -6.231
   33    H    ALA   9           H        ALA   9  -2.976  -6.910  -6.327
   34    HA   ALA   9           HA       ALA   9  -4.541  -9.264  -6.194
   35    HB1  ALA   9           HB1      ALA   9  -2.592 -10.335  -5.326
   36    HB2  ALA   9           HB2      ALA   9  -2.069  -9.178  -6.551
   37    HB3  ALA   9           HB3      ALA   9  -1.892  -8.790  -4.840
   38    H    LYS  10           H        LYS  10  -4.167 -10.598  -3.964
   39    HA   LYS  10           HA       LYS  10  -5.168  -8.903  -1.775
   40    HB2  LYS  10           HB2      LYS  10  -6.837 -10.499  -1.199
   41    HB3  LYS  10           HB3      LYS  10  -6.989 -10.216  -2.928
   42    HG2  LYS  10           HG2      LYS  10  -5.791 -12.285  -3.386
   43    HG3  LYS  10           HG3      LYS  10  -5.598 -12.565  -1.653
   44    HD2  LYS  10           HD2      LYS  10  -7.928 -12.871  -1.351
   45    HD3  LYS  10           HD3      LYS  10  -8.290 -12.247  -2.963
   46    HE2  LYS  10           HE2      LYS  10  -7.644 -14.189  -4.006
   47    HE3  LYS  10           HE3      LYS  10  -6.536 -14.642  -2.712
   48    HZ1  LYS  10           HZ1      LYS  10  -8.553 -15.037  -1.315
   49    HZ2  LYS  10           HZ2      LYS  10  -8.367 -16.109  -2.610
   50    HZ3  LYS  10           HZ3      LYS  10  -9.493 -14.850  -2.709
   51    H    DBB  11           H        DBB  11  -4.865  -9.822   0.380
   52    HA   DBB  11           HA       DBB  11  -3.093 -12.075   0.615
   53    HB2  DBB  11           HB       DBB  11  -4.862 -11.697   2.159
   54    HG1  DBB  11          HG21      DBB  11  -2.240 -11.499   3.577
   55    HG2  DBB  11          HG22      DBB  11  -2.813 -12.947   2.749
   56    HG3  DBB  11          HG23      DBB  11  -3.700 -12.313   4.137
   57    H    CYS  12           H        CYS  12  -0.976 -12.035   1.761
   58    HA   CYS  12           HA       CYS  12   0.331  -9.532   2.206
   59    HB2  CYS  12           HB2      CYS  12   0.764 -11.679   3.476
   60    HB3  CYS  12           HB3      CYS  12   1.630 -12.254   2.055
   61    H    ALA  13           H        ALA  13   0.270  -8.483   0.187
   62    HA   ALA  13           HA       ALA  13   2.551  -8.758  -1.401
   63    HB1  ALA  13           HB1      ALA  13   1.236  -9.436  -3.547
   64    HB2  ALA  13           HB2      ALA  13   1.831 -10.680  -2.447
   65    HB3  ALA  13           HB3      ALA  13   0.135 -10.199  -2.399
   66    H    ALA  14           H        ALA  14  -0.766  -7.720  -1.174
   67    HA   ALA  14           HA       ALA  14  -0.094  -5.042  -2.024
   68    HB1  ALA  14           HB1      ALA  14  -1.669  -6.887  -3.691
   69    HB2  ALA  14           HB2      ALA  14  -2.502  -5.405  -3.234
   70    H    SER  15           H        SER  15  -3.164  -6.817  -1.615
   71    HA   SER  15           HA       SER  15  -4.451  -4.839  -0.159
   72    HB2  SER  15           HB2      SER  15  -4.870  -7.836  -0.087
   73    HB3  SER  15           HB3      SER  15  -5.987  -6.657   0.601
   74    HG   SER  15           HG       SER  15  -5.883  -5.733  -1.660
   75    H    CYS  16           H        CYS  16  -3.401  -7.914   1.300
   76    HA   CYS  16           HA       CYS  16  -3.230  -6.654   3.897
   77    HB2  CYS  16           HB2      CYS  16  -2.356  -9.467   3.297
   78    HB3  CYS  16           HB3      CYS  16  -3.032  -8.815   4.787
   79    H    ALA  17           H        ALA  17  -1.343  -6.695   5.234
   80    HA   ALA  17           HA       ALA  17   1.102  -6.275   3.689
   81    HB1  ALA  17           HB1      ALA  17   1.960  -5.154   5.652
   82    HB2  ALA  17           HB2      ALA  17   0.361  -4.522   5.256
   83    HB3  ALA  17           HB3      ALA  17   0.555  -5.660   6.590
   84    H    ALA  18           H        ALA  18  -0.352  -8.695   5.422
   85    HA   ALA  18           HA       ALA  18   0.323 -10.771   6.094
   86    HB1  ALA  18           HB1      ALA  18   3.201 -10.227   5.621
   87    HB2  ALA  18           HB2      ALA  18   2.246 -11.675   5.319
   88    H    SER  19           H        SER  19   3.059  -8.601   6.879
   89    HA   SER  19           HA       SER  19   3.606  -9.661   9.382
   90    HB2  SER  19           HB2      SER  19   4.945  -7.753   9.773
   91    HB3  SER  19           HB3      SER  19   4.958  -7.954   8.021
   92    HG   SER  19           HG       SER  19   4.547  -5.769   8.823
  Start of MODEL   13
    1    H1   ALA   1           H        ALA   1   4.294  -1.971  -2.420
    2    HA   ALA   1           HA       ALA   1   2.075  -0.184  -2.260
    3    HB1  ALA   1           HB1      ALA   1   4.552   0.166  -3.114
    4    HB2  ALA   1           HB2      ALA   1   3.814  -0.224  -4.668
    5    HB3  ALA   1           HB3      ALA   1   3.215   1.141  -3.725
    6    H    CYS   2           H        CYS   2   0.143  -1.139  -2.712
    7    HA   CYS   2           HA       CYS   2  -0.144  -2.350  -5.384
    8    HB2  CYS   2           HB2      CYS   2  -0.752  -3.470  -2.893
    9    HB3  CYS   2           HB3      CYS   2  -2.308  -2.994  -3.567
   10    H    GLY   3           H        GLY   3  -1.894  -0.517  -2.880
   11    HA2  GLY   3           HA2      GLY   3  -3.061   1.499  -3.294
   12    HA3  GLY   3           HA3      GLY   3  -3.111   1.091  -5.003
   13    H    DBB   4           H        DBB   4  -4.042  -1.661  -4.437
   14    HA   DBB   4           HA       DBB   4  -6.537  -1.360  -3.068
   15    HB2  DBB   4           HB       DBB   4  -5.313  -3.398  -3.071
   16    HG1  DBB   4          HG21      DBB   4  -7.141  -4.662  -2.842
   17    HG2  DBB   4          HG22      DBB   4  -7.777  -4.243  -4.433
   18    HG3  DBB   4          HG23      DBB   4  -7.944  -3.112  -3.088
   19    H    GLY   5           H        GLY   5  -5.707  -1.545  -6.554
   20    HA2  GLY   5           HA2      GLY   5  -8.255  -0.201  -7.081
   21    HA3  GLY   5           HA3      GLY   5  -6.889  -0.298  -8.182
   22    H    ASP   6           H        ASP   6  -7.891  -1.124  -9.952
   23    HA   ASP   6           HA       ASP   6  -9.724  -3.329  -9.776
   24    HB2  ASP   6           HB2      ASP   6  -8.422  -1.957 -12.134
   25    HB3  ASP   6           HB3      ASP   6  -9.599  -3.259 -12.287
   26    H    GLY   7           H        GLY   7  -9.370  -5.460 -10.187
   27    HA2  GLY   7           HA2      GLY   7  -8.205  -7.426 -10.402
   28    HA3  GLY   7           HA3      GLY   7  -7.162  -6.554 -11.516
   29    H    CYS   8           H        CYS   8  -7.527  -5.522  -8.211
   30    HA   CYS   8           HA       CYS   8  -4.735  -5.621  -7.739
   31    HB2  CYS   8           HB2      CYS   8  -6.711  -4.215  -6.623
   32    HB3  CYS   8           HB3      CYS   8  -6.622  -5.515  -5.439
   33    H    ALA   9           H        ALA   9  -3.760  -6.761  -5.840
   34    HA   ALA   9           HA       ALA   9  -4.509  -9.577  -5.951
   35    HB1  ALA   9           HB1      ALA   9  -2.191  -8.945  -4.320
   36    HB2  ALA   9           HB2      ALA   9  -2.335 -10.010  -5.719
   37    HB3  ALA   9           HB3      ALA   9  -2.071  -8.281  -5.950
   38    H    LYS  10           H        LYS  10  -3.732 -10.638  -3.644
   39    HA   LYS  10           HA       LYS  10  -5.153  -9.202  -1.511
   40    HB2  LYS  10           HB2      LYS  10  -5.505 -12.148  -2.084
   41    HB3  LYS  10           HB3      LYS  10  -6.329 -11.207  -0.847
   42    HG2  LYS  10           HG2      LYS  10  -7.014  -9.818  -3.058
   43    HG3  LYS  10           HG3      LYS  10  -6.876 -11.447  -3.723
   44    HD2  LYS  10           HD2      LYS  10  -8.343 -11.145  -1.164
   45    HD3  LYS  10           HD3      LYS  10  -9.126 -10.527  -2.621
   46    HE2  LYS  10           HE2      LYS  10  -8.010 -13.314  -2.352
   47    HE3  LYS  10           HE3      LYS  10  -9.697 -12.894  -2.055
   48    HZ1  LYS  10           HZ1      LYS  10  -9.898 -13.409  -4.219
   49    HZ2  LYS  10           HZ2      LYS  10  -8.264 -13.142  -4.565
   50    HZ3  LYS  10           HZ3      LYS  10  -9.333 -11.834  -4.469
   51    H    DBB  11           H        DBB  11  -4.661 -10.025   0.666
   52    HA   DBB  11           HA       DBB  11  -2.581 -11.873   1.089
   53    HB2  DBB  11           HB       DBB  11  -4.231 -11.323   2.709
   54    HG1  DBB  11          HG21      DBB  11  -1.495 -10.716   3.748
   55    HG2  DBB  11          HG22      DBB  11  -2.086 -12.326   3.335
   56    HG3  DBB  11          HG23      DBB  11  -2.834 -11.420   4.652
   57    H    CYS  12           H        CYS  12  -0.341 -11.628   1.581
   58    HA   CYS  12           HA       CYS  12   0.922  -9.150   1.955
   59    HB2  CYS  12           HB2      CYS  12   1.840 -11.391   2.617
   60    HB3  CYS  12           HB3      CYS  12   2.207 -11.684   0.920
   61    H    ALA  13           H        ALA  13  -0.217 -10.655  -0.874
   62    HA   ALA  13           HA       ALA  13   1.623  -9.617  -2.763
   63    HB1  ALA  13           HB1      ALA  13  -1.259 -10.425  -3.144
   64    HB2  ALA  13           HB2      ALA  13  -0.081 -10.161  -4.431
   65    HB3  ALA  13           HB3      ALA  13   0.145 -11.484  -3.286
   66    H    ALA  14           H        ALA  14  -1.254  -8.353  -1.266
   67    HA   ALA  14           HA       ALA  14  -0.706  -5.672  -1.557
   68    HB1  ALA  14           HB1      ALA  14  -2.101  -6.859  -3.882
   69    HB2  ALA  14           HB2      ALA  14  -2.889  -5.482  -3.118
   70    H    SER  15           H        SER  15  -2.637  -4.313  -0.964
   71    HA   SER  15           HA       SER  15  -4.490  -3.895   0.315
   72    HB2  SER  15           HB2      SER  15  -6.212  -5.318   0.075
   73    HB3  SER  15           HB3      SER  15  -5.114  -6.356  -0.834
   74    HG   SER  15           HG       SER  15  -6.189  -7.379   0.982
   75    H    CYS  16           H        CYS  16  -2.913  -6.923   1.341
   76    HA   CYS  16           HA       CYS  16  -3.077  -6.082   4.124
   77    HB2  CYS  16           HB2      CYS  16  -1.856  -8.621   3.036
   78    HB3  CYS  16           HB3      CYS  16  -2.387  -8.306   4.685
   79    H    ALA  17           H        ALA  17  -1.163  -6.211   5.513
   80    HA   ALA  17           HA       ALA  17   1.061  -4.839   4.298
   81    HB1  ALA  17           HB1      ALA  17   1.908  -4.600   6.552
   82    HB2  ALA  17           HB2      ALA  17   0.192  -4.194   6.510
   83    HB3  ALA  17           HB3      ALA  17   0.714  -5.752   7.151
   84    H    ALA  18           H        ALA  18   0.251  -8.033   4.764
   85    HA   ALA  18           HA       ALA  18   1.348 -10.002   4.393
   86    HB1  ALA  18           HB1      ALA  18   3.087  -8.082   3.155
   87    HB2  ALA  18           HB2      ALA  18   4.031  -9.190   4.145
   88    H    SER  19           H        SER  19   3.784  -7.887   5.943
   89    HA   SER  19           HA       SER  19   5.029  -8.167   7.831
   90    HB2  SER  19           HB2      SER  19   3.808  -8.430   9.804
   91    HB3  SER  19           HB3      SER  19   2.575  -7.882   8.668
   92    HG   SER  19           HG       SER  19   2.043  -9.775   9.999
  Start of MODEL   14
    1    H1   ALA   1           H        ALA   1  -0.033   0.476   1.007
    2    HA   ALA   1           HA       ALA   1   0.215   1.593  -1.228
    3    HB1  ALA   1           HB1      ALA   1   2.258   1.065  -0.152
    4    HB2  ALA   1           HB2      ALA   1   2.078  -0.655  -0.500
    5    HB3  ALA   1           HB3      ALA   1   2.400   0.481  -1.811
    6    H    CYS   2           H        CYS   2  -1.967  -0.193  -1.605
    7    HA   CYS   2           HA       CYS   2  -1.206  -1.400  -4.183
    8    HB2  CYS   2           HB2      CYS   2  -1.756  -3.045  -2.309
    9    HB3  CYS   2           HB3      CYS   2  -3.411  -2.455  -2.416
   10    H    GLY   3           H        GLY   3  -2.571  -1.076  -5.904
   11    HA2  GLY   3           HA2      GLY   3  -4.138   1.243  -5.943
   12    HA3  GLY   3           HA3      GLY   3  -4.161  -0.014  -7.172
   13    H    DBB   4           H        DBB   4  -4.937  -1.927  -4.878
   14    HA   DBB   4           HA       DBB   4  -7.467  -1.076  -3.974
   15    HB2  DBB   4           HB       DBB   4  -6.169  -2.760  -2.911
   16    HG1  DBB   4          HG21      DBB   4  -7.994  -3.510  -1.952
   17    HG2  DBB   4          HG22      DBB   4  -8.473  -4.421  -3.386
   18    HG3  DBB   4          HG23      DBB   4  -8.890  -2.711  -3.243
   19    H    GLY   5           H        GLY   5  -6.559  -2.445  -7.064
   20    HA2  GLY   5           HA2      GLY   5  -8.923  -3.581  -7.926
   21    HA3  GLY   5           HA3      GLY   5  -9.146  -1.847  -8.106
   22    H    ASP   6           H        ASP   6  -8.961  -4.018 -10.118
   23    HA   ASP   6           HA       ASP   6  -7.991  -4.455 -12.135
   24    HB2  ASP   6           HB2      ASP   6  -8.731  -1.946 -12.215
   25    HB3  ASP   6           HB3      ASP   6  -6.999  -1.626 -12.200
   26    H    GLY   7           H        GLY   7  -6.392  -5.389 -10.210
   27    HA2  GLY   7           HA2      GLY   7  -4.065  -6.107 -11.055
   28    HA3  GLY   7           HA3      GLY   7  -3.683  -4.409 -10.816
   29    H    CYS   8           H        CYS   8  -5.807  -4.923  -8.465
   30    HA   CYS   8           HA       CYS   8  -3.719  -5.308  -6.482
   31    HB2  CYS   8           HB2      CYS   8  -5.260  -3.503  -6.073
   32    HB3  CYS   8           HB3      CYS   8  -6.642  -4.579  -6.245
   33    H    ALA   9           H        ALA   9  -3.523  -7.022  -5.126
   34    HA   ALA   9           HA       ALA   9  -5.399  -9.260  -5.535
   35    HB1  ALA   9           HB1      ALA   9  -3.337 -10.654  -4.800
   36    HB2  ALA   9           HB2      ALA   9  -3.431 -10.052  -6.456
   37    HB3  ALA   9           HB3      ALA   9  -2.421  -9.222  -5.272
   38    H    LYS  10           H        LYS  10  -5.384 -10.837  -3.665
   39    HA   LYS  10           HA       LYS  10  -5.629  -9.307  -1.184
   40    HB2  LYS  10           HB2      LYS  10  -6.586 -12.100  -1.839
   41    HB3  LYS  10           HB3      LYS  10  -6.945 -11.205  -0.368
   42    HG2  LYS  10           HG2      LYS  10  -7.666  -9.894  -2.913
   43    HG3  LYS  10           HG3      LYS  10  -8.602 -11.321  -2.460
   44    HD2  LYS  10           HD2      LYS  10  -8.756 -10.144  -0.140
   45    HD3  LYS  10           HD3      LYS  10  -8.349  -8.691  -1.056
   46    HE2  LYS  10           HE2      LYS  10 -10.269  -9.491  -2.630
   47    HE3  LYS  10           HE3      LYS  10 -10.775 -10.430  -1.226
   48    HZ1  LYS  10           HZ1      LYS  10 -10.914  -7.581  -1.688
   49    HZ2  LYS  10           HZ2      LYS  10 -10.354  -8.009  -0.150
   50    HZ3  LYS  10           HZ3      LYS  10 -11.860  -8.564  -0.687
   51    H    DBB  11           H        DBB  11  -4.738 -10.049   0.794
   52    HA   DBB  11           HA       DBB  11  -2.948 -12.298   0.747
   53    HB2  DBB  11           HB       DBB  11  -4.302 -11.803   2.637
   54    HG1  DBB  11          HG21      DBB  11  -2.721 -12.312   4.313
   55    HG2  DBB  11          HG22      DBB  11  -1.420 -11.546   3.402
   56    HG3  DBB  11          HG23      DBB  11  -2.163 -13.031   2.804
   57    H    CYS  12           H        CYS  12  -0.620 -12.209   1.350
   58    HA   CYS  12           HA       CYS  12   0.788  -9.759   1.432
   59    HB2  CYS  12           HB2      CYS  12   1.518 -12.029   2.358
   60    HB3  CYS  12           HB3      CYS  12   2.000 -12.425   0.712
   61    H    ALA  13           H        ALA  13   0.239  -8.551  -0.390
   62    HA   ALA  13           HA       ALA  13   1.923  -8.792  -2.612
   63    HB1  ALA  13           HB1      ALA  13  -0.839  -9.906  -2.984
   64    HB2  ALA  13           HB2      ALA  13   0.093  -9.254  -4.333
   65    HB3  ALA  13           HB3      ALA  13   0.712 -10.628  -3.416
   66    H    ALA  14           H        ALA  14  -1.098  -7.619  -1.327
   67    HA   ALA  14           HA       ALA  14  -0.515  -4.897  -1.901
   68    HB1  ALA  14           HB1      ALA  14  -1.629  -5.917  -4.081
   69    HB2  ALA  14           HB2      ALA  14  -3.060  -5.891  -3.056
   70    H    SER  15           H        SER  15  -3.471  -6.853  -1.409
   71    HA   SER  15           HA       SER  15  -4.724  -5.143   0.364
   72    HB2  SER  15           HB2      SER  15  -4.866  -8.167   0.280
   73    HB3  SER  15           HB3      SER  15  -6.015  -7.122   1.115
   74    HG   SER  15           HG       SER  15  -7.005  -7.050  -0.730
   75    H    CYS  16           H        CYS  16  -2.470  -7.788   1.064
   76    HA   CYS  16           HA       CYS  16  -2.225  -6.741   3.809
   77    HB2  CYS  16           HB2      CYS  16  -1.567  -9.573   3.030
   78    HB3  CYS  16           HB3      CYS  16  -1.880  -8.921   4.636
   79    H    ALA  17           H        ALA  17  -0.109  -6.930   4.794
   80    HA   ALA  17           HA       ALA  17   2.006  -6.450   2.840
   81    HB1  ALA  17           HB1      ALA  17   3.263  -5.504   4.677
   82    HB2  ALA  17           HB2      ALA  17   1.640  -4.814   4.646
   83    HB3  ALA  17           HB3      ALA  17   2.047  -6.057   5.830
   84    H    ALA  18           H        ALA  18   0.836  -8.978   4.626
   85    HA   ALA  18           HA       ALA  18   1.562 -11.113   4.993
   86    HB1  ALA  18           HB1      ALA  18   4.301 -10.508   3.980
   87    HB2  ALA  18           HB2      ALA  18   3.338 -11.977   3.855
   88    H    SER  19           H        SER  19   4.482  -9.084   5.401
   89    HA   SER  19           HA       SER  19   5.165 -10.365   7.859
   90    HB2  SER  19           HB2      SER  19   6.943  -9.492   6.490
   91    HB3  SER  19           HB3      SER  19   6.235  -7.877   6.511
   92    HG   SER  19           HG       SER  19   7.148  -7.526   8.369
  Start of MODEL   15
    1    H1   ALA   1           H        ALA   1   0.971   1.590  -0.557
    2    HA   ALA   1           HA       ALA   1   3.288  -0.173  -0.951
    3    HB1  ALA   1           HB1      ALA   1   2.377  -0.223   1.286
    4    HB2  ALA   1           HB2      ALA   1   0.771  -0.590   0.656
    5    HB3  ALA   1           HB3      ALA   1   2.074  -1.766   0.488
    6    H    CYS   2           H        CYS   2  -0.101   0.259  -1.803
    7    HA   CYS   2           HA       CYS   2   0.266  -1.362  -4.166
    8    HB2  CYS   2           HB2      CYS   2  -0.368  -2.957  -2.288
    9    HB3  CYS   2           HB3      CYS   2  -1.930  -2.145  -2.249
   10    H    GLY   3           H        GLY   3  -0.979  -0.659  -5.813
   11    HA2  GLY   3           HA2      GLY   3  -2.389   1.765  -5.585
   12    HA3  GLY   3           HA3      GLY   3  -2.427   0.691  -6.975
   13    H    DBB   4           H        DBB   4  -3.381  -1.422  -4.877
   14    HA   DBB   4           HA       DBB   4  -5.859  -0.640  -3.912
   15    HB2  DBB   4           HB       DBB   4  -4.720  -2.632  -3.288
   16    HG1  DBB   4          HG21      DBB   4  -6.884  -2.629  -2.583
   17    HG2  DBB   4          HG22      DBB   4  -6.776  -4.185  -3.407
   18    HG3  DBB   4          HG23      DBB   4  -7.533  -2.809  -4.212
   19    H    GLY   5           H        GLY   5  -5.169  -1.960  -7.175
   20    HA2  GLY   5           HA2      GLY   5  -7.439  -0.545  -8.212
   21    HA3  GLY   5           HA3      GLY   5  -6.359  -1.593  -9.120
   22    H    ASP   6           H        ASP   6  -8.441  -2.201 -10.147
   23    HA   ASP   6           HA       ASP   6 -10.529  -3.497  -8.875
   24    HB2  ASP   6           HB2      ASP   6 -10.769  -2.932 -11.176
   25    HB3  ASP   6           HB3      ASP   6  -9.357  -3.882 -11.628
   26    H    GLY   7           H        GLY   7  -8.172  -5.332 -10.804
   27    HA2  GLY   7           HA2      GLY   7  -8.592  -7.648  -9.109
   28    HA3  GLY   7           HA3      GLY   7  -7.631  -7.589 -10.579
   29    H    CYS   8           H        CYS   8  -7.482  -5.806  -7.497
   30    HA   CYS   8           HA       CYS   8  -4.642  -5.839  -7.450
   31    HB2  CYS   8           HB2      CYS   8  -6.421  -4.269  -6.257
   32    HB3  CYS   8           HB3      CYS   8  -6.206  -5.421  -4.943
   33    H    ALA   9           H        ALA   9  -3.230  -6.988  -6.119
   34    HA   ALA   9           HA       ALA   9  -3.955  -9.700  -5.632
   35    HB1  ALA   9           HB1      ALA   9  -1.478  -8.572  -4.445
   36    HB2  ALA   9           HB2      ALA   9  -1.732 -10.089  -5.310
   37    HB3  ALA   9           HB3      ALA   9  -1.631  -8.571  -6.202
   38    H    LYS  10           H        LYS  10  -5.331 -10.155  -4.024
   39    HA   LYS  10           HA       LYS  10  -5.471  -8.652  -1.601
   40    HB2  LYS  10           HB2      LYS  10  -6.619 -11.407  -1.950
   41    HB3  LYS  10           HB3      LYS  10  -7.238 -10.072  -0.986
   42    HG2  LYS  10           HG2      LYS  10  -8.658  -9.747  -2.669
   43    HG3  LYS  10           HG3      LYS  10  -7.285  -9.033  -3.517
   44    HD2  LYS  10           HD2      LYS  10  -8.017 -10.577  -5.062
   45    HD3  LYS  10           HD3      LYS  10  -6.793 -11.510  -4.197
   46    HE2  LYS  10           HE2      LYS  10  -8.491 -13.022  -4.141
   47    HE3  LYS  10           HE3      LYS  10  -8.887 -12.119  -2.680
   48    HZ1  LYS  10           HZ1      LYS  10 -10.033 -11.033  -5.094
   49    HZ2  LYS  10           HZ2      LYS  10 -10.750 -11.322  -3.591
   50    HZ3  LYS  10           HZ3      LYS  10 -10.592 -12.582  -4.708
   51    H    DBB  11           H        DBB  11  -5.099  -9.488   0.554
   52    HA   DBB  11           HA       DBB  11  -3.583 -11.874   0.897
   53    HB2  DBB  11           HB       DBB  11  -5.081 -11.035   2.541
   54    HG1  DBB  11          HG21      DBB  11  -2.421 -10.984   3.851
   55    HG2  DBB  11          HG22      DBB  11  -2.972 -12.428   3.000
   56    HG3  DBB  11          HG23      DBB  11  -3.901 -11.794   4.360
   57    H    CYS  12           H        CYS  12  -1.358 -12.081   1.720
   58    HA   CYS  12           HA       CYS  12   0.381  -9.865   1.911
   59    HB2  CYS  12           HB2      CYS  12   0.802 -12.009   3.050
   60    HB3  CYS  12           HB3      CYS  12   1.056 -12.785   1.490
   61    H    ALA  13           H        ALA  13   0.120  -8.674  -0.013
   62    HA   ALA  13           HA       ALA  13   2.005  -9.240  -2.032
   63    HB1  ALA  13           HB1      ALA  13   0.444 -10.897  -2.803
   64    HB2  ALA  13           HB2      ALA  13  -0.874  -9.725  -2.782
   65    HB3  ALA  13           HB3      ALA  13   0.447  -9.546  -3.937
   66    H    ALA  14           H        ALA  14  -0.908  -7.547  -1.109
   67    HA   ALA  14           HA       ALA  14   0.171  -4.971  -1.549
   68    HB1  ALA  14           HB1      ALA  14  -0.571  -5.672  -3.925
   69    HB2  ALA  14           HB2      ALA  14  -2.187  -5.705  -3.228
   70    H    SER  15           H        SER  15  -3.130  -6.337  -1.700
   71    HA   SER  15           HA       SER  15  -4.433  -4.486  -0.187
   72    HB2  SER  15           HB2      SER  15  -4.914  -7.475  -0.102
   73    HB3  SER  15           HB3      SER  15  -6.071  -6.231   0.372
   74    HG   SER  15           HG       SER  15  -6.144  -5.530  -1.754
   75    H    CYS  16           H        CYS  16  -2.591  -7.263   1.004
   76    HA   CYS  16           HA       CYS  16  -2.797  -6.145   3.724
   77    HB2  CYS  16           HB2      CYS  16  -2.165  -9.012   3.006
   78    HB3  CYS  16           HB3      CYS  16  -2.523  -8.365   4.604
   79    H    ALA  17           H        ALA  17  -0.964  -5.745   4.864
   80    HA   ALA  17           HA       ALA  17   1.432  -5.251   3.533
   81    HB1  ALA  17           HB1      ALA  17   2.420  -4.983   5.776
   82    HB2  ALA  17           HB2      ALA  17   0.878  -4.144   5.610
   83    HB3  ALA  17           HB3      ALA  17   0.959  -5.675   6.481
   84    H    ALA  18           H        ALA  18   0.186  -8.159   4.802
   85    HA   ALA  18           HA       ALA  18   0.918 -10.323   4.718
   86    HB1  ALA  18           HB1      ALA  18   2.526  -9.099   2.751
   87    HB2  ALA  18           HB2      ALA  18   3.623  -9.882   3.884
   88    H    SER  19           H        SER  19   3.767  -8.278   5.434
   89    HA   SER  19           HA       SER  19   4.526 -10.017   7.610
   90    HB2  SER  19           HB2      SER  19   5.724  -7.346   6.845
   91    HB3  SER  19           HB3      SER  19   6.468  -8.601   7.835
   92    HG   SER  19           HG       SER  19   7.087  -9.570   6.083
  Start of MODEL   16
    1    H1   ALA   1           H        ALA   1   3.877  -1.624  -1.498
    2    HA   ALA   1           HA       ALA   1   1.490  -0.025  -1.557
    3    HB1  ALA   1           HB1      ALA   1   3.610  -0.146  -3.688
    4    HB2  ALA   1           HB2      ALA   1   2.513   1.184  -3.312
    5    HB3  ALA   1           HB3      ALA   1   3.806   0.763  -2.189
    6    H    CYS   2           H        CYS   2  -0.366  -0.707  -2.382
    7    HA   CYS   2           HA       CYS   2  -0.312  -2.323  -4.836
    8    HB2  CYS   2           HB2      CYS   2  -0.772  -3.711  -2.762
    9    HB3  CYS   2           HB3      CYS   2  -2.270  -2.803  -2.588
   10    H    GLY   3           H        GLY   3  -2.198  -0.226  -2.695
   11    HA2  GLY   3           HA2      GLY   3  -3.496   1.603  -3.364
   12    HA3  GLY   3           HA3      GLY   3  -3.376   1.052  -5.028
   13    H    DBB   4           H        DBB   4  -4.176  -1.703  -3.714
   14    HA   DBB   4           HA       DBB   4  -6.756  -1.494  -2.752
   15    HB2  DBB   4           HB       DBB   4  -5.439  -3.472  -2.709
   16    HG1  DBB   4          HG21      DBB   4  -7.728  -3.703  -2.262
   17    HG2  DBB   4          HG22      DBB   4  -7.253  -5.096  -3.235
   18    HG3  DBB   4          HG23      DBB   4  -8.130  -3.756  -3.977
   19    H    GLY   5           H        GLY   5  -5.882  -1.890  -6.227
   20    HA2  GLY   5           HA2      GLY   5  -8.442  -0.576  -6.843
   21    HA3  GLY   5           HA3      GLY   5  -7.036  -0.616  -7.897
   22    H    ASP   6           H        ASP   6  -7.972  -1.490  -9.687
   23    HA   ASP   6           HA       ASP   6  -9.724  -3.742  -9.583
   24    HB2  ASP   6           HB2      ASP   6  -9.539  -3.727 -12.038
   25    HB3  ASP   6           HB3      ASP   6  -9.866  -2.116 -11.404
   26    H    GLY   7           H        GLY   7  -9.321  -5.883  -9.956
   27    HA2  GLY   7           HA2      GLY   7  -8.102  -7.830  -9.890
   28    HA3  GLY   7           HA3      GLY   7  -7.082  -7.042 -11.084
   29    H    CYS   8           H        CYS   8  -7.450  -5.719  -7.885
   30    HA   CYS   8           HA       CYS   8  -4.681  -5.640  -7.409
   31    HB2  CYS   8           HB2      CYS   8  -6.702  -4.324  -6.326
   32    HB3  CYS   8           HB3      CYS   8  -6.611  -5.609  -5.126
   33    H    ALA   9           H        ALA   9  -3.340  -6.856  -6.093
   34    HA   ALA   9           HA       ALA   9  -3.875  -9.636  -5.971
   35    HB1  ALA   9           HB1      ALA   9  -1.721  -8.583  -4.259
   36    HB2  ALA   9           HB2      ALA   9  -1.688  -9.862  -5.474
   37    HB3  ALA   9           HB3      ALA   9  -1.615  -8.172  -5.972
   38    H    LYS  10           H        LYS  10  -4.012 -10.985  -4.106
   39    HA   LYS  10           HA       LYS  10  -5.289  -9.641  -1.819
   40    HB2  LYS  10           HB2      LYS  10  -5.575 -12.504  -2.750
   41    HB3  LYS  10           HB3      LYS  10  -6.414 -11.781  -1.384
   42    HG2  LYS  10           HG2      LYS  10  -6.769 -10.331  -3.897
   43    HG3  LYS  10           HG3      LYS  10  -7.398 -11.980  -3.916
   44    HD2  LYS  10           HD2      LYS  10  -8.607 -11.458  -1.792
   45    HD3  LYS  10           HD3      LYS  10  -8.092  -9.780  -1.973
   46    HE2  LYS  10           HE2      LYS  10  -9.225  -9.719  -4.175
   47    HE3  LYS  10           HE3      LYS  10  -9.809 -11.357  -3.887
   48    HZ1  LYS  10           HZ1      LYS  10 -10.769  -8.857  -2.836
   49    HZ2  LYS  10           HZ2      LYS  10 -10.572 -10.049  -1.652
   50    HZ3  LYS  10           HZ3      LYS  10 -11.565 -10.342  -2.990
   51    H    DBB  11           H        DBB  11  -4.414  -9.809   0.164
   52    HA   DBB  11           HA       DBB  11  -2.572 -11.989   0.698
   53    HB2  DBB  11           HB       DBB  11  -4.285 -11.463   2.261
   54    HG1  DBB  11          HG21      DBB  11  -2.218 -12.516   2.961
   55    HG2  DBB  11          HG22      DBB  11  -2.961 -11.594   4.268
   56    HG3  DBB  11          HG23      DBB  11  -1.567 -10.939   3.405
   57    H    CYS  12           H        CYS  12  -0.365 -11.746   1.413
   58    HA   CYS  12           HA       CYS  12   0.895  -9.288   1.840
   59    HB2  CYS  12           HB2      CYS  12   1.759 -11.552   2.520
   60    HB3  CYS  12           HB3      CYS  12   2.230 -11.810   0.843
   61    H    ALA  13           H        ALA  13  -0.049 -10.811  -1.068
   62    HA   ALA  13           HA       ALA  13   1.875  -9.765  -2.846
   63    HB1  ALA  13           HB1      ALA  13   0.439 -11.582  -3.514
   64    HB2  ALA  13           HB2      ALA  13  -0.991 -10.565  -3.333
   65    HB3  ALA  13           HB3      ALA  13   0.188 -10.213  -4.597
   66    H    ALA  14           H        ALA  14  -1.057  -8.457  -1.497
   67    HA   ALA  14           HA       ALA  14  -0.449  -5.787  -1.702
   68    HB1  ALA  14           HB1      ALA  14  -0.706  -6.114  -4.192
   69    HB2  ALA  14           HB2      ALA  14  -2.326  -6.710  -3.847
   70    H    SER  15           H        SER  15  -2.406  -4.401  -1.252
   71    HA   SER  15           HA       SER  15  -4.352  -3.973  -0.123
   72    HB2  SER  15           HB2      SER  15  -5.061  -6.191  -1.448
   73    HB3  SER  15           HB3      SER  15  -5.090  -6.838   0.192
   74    HG   SER  15           HG       SER  15  -6.637  -5.379   0.746
   75    H    CYS  16           H        CYS  16  -2.909  -7.035   0.998
   76    HA   CYS  16           HA       CYS  16  -3.307  -6.249   3.766
   77    HB2  CYS  16           HB2      CYS  16  -1.957  -8.732   2.690
   78    HB3  CYS  16           HB3      CYS  16  -2.548  -8.472   4.328
   79    H    ALA  17           H        ALA  17  -1.417  -6.656   5.294
   80    HA   ALA  17           HA       ALA  17   0.836  -5.090   4.333
   81    HB1  ALA  17           HB1      ALA  17   1.432  -4.790   6.603
   82    HB2  ALA  17           HB2      ALA  17  -0.326  -4.659   6.531
   83    HB3  ALA  17           HB3      ALA  17   0.425  -6.142   7.121
   84    H    ALA  18           H        ALA  18   0.044  -8.319   4.664
   85    HA   ALA  18           HA       ALA  18   1.199 -10.262   4.331
   86    HB1  ALA  18           HB1      ALA  18   2.979  -8.279   3.240
   87    HB2  ALA  18           HB2      ALA  18   3.874  -9.423   4.236
   88    H    SER  19           H        SER  19   3.519  -8.135   6.034
   89    HA   SER  19           HA       SER  19   3.927 -10.222   8.021
   90    HB2  SER  19           HB2      SER  19   5.770  -8.835   8.821
   91    HB3  SER  19           HB3      SER  19   5.876  -9.023   7.071
   92    HG   SER  19           HG       SER  19   6.186  -6.841   7.832
  Start of MODEL   17
    1    H1   ALA   1           H        ALA   1   2.765   1.364  -3.984
    2    HA   ALA   1           HA       ALA   1   2.507  -0.875  -2.084
    3    HB1  ALA   1           HB1      ALA   1   1.910   1.119  -0.912
    4    HB2  ALA   1           HB2      ALA   1   0.866   1.647  -2.233
    5    HB3  ALA   1           HB3      ALA   1   0.425   0.236  -1.271
    6    H    CYS   2           H        CYS   2   0.013  -1.571  -2.140
    7    HA   CYS   2           HA       CYS   2  -0.373  -2.695  -4.734
    8    HB2  CYS   2           HB2      CYS   2  -0.990  -3.742  -2.485
    9    HB3  CYS   2           HB3      CYS   2  -2.399  -2.686  -2.500
   10    H    GLY   3           H        GLY   3  -2.092  -0.236  -2.831
   11    HA2  GLY   3           HA2      GLY   3  -3.202   1.641  -3.668
   12    HA3  GLY   3           HA3      GLY   3  -3.030   0.990  -5.292
   13    H    DBB   4           H        DBB   4  -4.145  -1.599  -3.827
   14    HA   DBB   4           HA       DBB   4  -6.758  -1.103  -3.088
   15    HB2  DBB   4           HB       DBB   4  -5.622  -3.170  -2.788
   16    HG1  DBB   4          HG21      DBB   4  -7.525  -4.292  -2.586
   17    HG2  DBB   4          HG22      DBB   4  -7.937  -4.128  -4.293
   18    HG3  DBB   4          HG23      DBB   4  -8.244  -2.795  -3.177
   19    H    GLY   5           H        GLY   5  -5.599  -1.646  -6.441
   20    HA2  GLY   5           HA2      GLY   5  -8.012  -0.256  -7.346
   21    HA3  GLY   5           HA3      GLY   5  -6.556  -0.526  -8.292
   22    H    ASP   6           H        ASP   6  -7.567  -1.408 -10.064
   23    HA   ASP   6           HA       ASP   6  -9.476  -3.525  -9.848
   24    HB2  ASP   6           HB2      ASP   6  -9.423  -1.946 -11.759
   25    HB3  ASP   6           HB3      ASP   6  -7.880  -2.634 -12.259
   26    H    GLY   7           H        GLY   7  -9.206  -5.700 -10.024
   27    HA2  GLY   7           HA2      GLY   7  -8.131  -7.724  -9.912
   28    HA3  GLY   7           HA3      GLY   7  -6.996  -7.041 -11.066
   29    H    CYS   8           H        CYS   8  -7.372  -5.473  -8.013
   30    HA   CYS   8           HA       CYS   8  -4.675  -5.565  -7.355
   31    HB2  CYS   8           HB2      CYS   8  -6.673  -4.152  -6.386
   32    HB3  CYS   8           HB3      CYS   8  -6.733  -5.438  -5.185
   33    H    ALA   9           H        ALA   9  -3.389  -6.948  -6.263
   34    HA   ALA   9           HA       ALA   9  -4.123  -9.653  -6.013
   35    HB1  ALA   9           HB1      ALA   9  -1.770  -8.391  -6.137
   36    HB2  ALA   9           HB2      ALA   9  -1.846  -8.677  -4.398
   37    HB3  ALA   9           HB3      ALA   9  -1.946 -10.034  -5.521
   38    H    LYS  10           H        LYS  10  -3.872 -10.913  -3.939
   39    HA   LYS  10           HA       LYS  10  -5.157  -9.467  -1.714
   40    HB2  LYS  10           HB2      LYS  10  -5.570 -12.358  -2.500
   41    HB3  LYS  10           HB3      LYS  10  -6.350 -11.529  -1.159
   42    HG2  LYS  10           HG2      LYS  10  -6.770 -10.105  -3.628
   43    HG3  LYS  10           HG3      LYS  10  -7.294 -11.786  -3.763
   44    HD2  LYS  10           HD2      LYS  10  -8.646 -11.521  -1.736
   45    HD3  LYS  10           HD3      LYS  10  -8.126  -9.839  -1.611
   46    HE2  LYS  10           HE2      LYS  10  -9.092 -10.159  -4.224
   47    HE3  LYS  10           HE3      LYS  10 -10.247 -10.985  -3.178
   48    HZ1  LYS  10           HZ1      LYS  10  -9.640  -8.600  -1.924
   49    HZ2  LYS  10           HZ2      LYS  10 -11.085  -9.005  -2.704
   50    HZ3  LYS  10           HZ3      LYS  10  -9.860  -8.207  -3.555
   51    H    DBB  11           H        DBB  11  -4.566 -10.051   0.406
   52    HA   DBB  11           HA       DBB  11  -2.636 -12.100   0.860
   53    HB2  DBB  11           HB       DBB  11  -4.290 -11.498   2.458
   54    HG1  DBB  11          HG21      DBB  11  -1.600 -10.957   3.633
   55    HG2  DBB  11          HG22      DBB  11  -2.109 -12.545   3.058
   56    HG3  DBB  11          HG23      DBB  11  -2.969 -11.770   4.390
   57    H    CYS  12           H        CYS  12  -0.399 -11.937   1.446
   58    HA   CYS  12           HA       CYS  12   0.963  -9.533   1.858
   59    HB2  CYS  12           HB2      CYS  12   1.772 -11.846   2.448
   60    HB3  CYS  12           HB3      CYS  12   2.172 -12.070   0.748
   61    H    ALA  13           H        ALA  13  -0.153 -10.974  -1.035
   62    HA   ALA  13           HA       ALA  13   1.719  -9.959  -2.879
   63    HB1  ALA  13           HB1      ALA  13   0.193 -11.702  -3.524
   64    HB2  ALA  13           HB2      ALA  13  -1.193 -10.649  -3.237
   65    HB3  ALA  13           HB3      ALA  13  -0.075 -10.296  -4.555
   66    H    ALA  14           H        ALA  14  -1.100  -8.569  -1.376
   67    HA   ALA  14           HA       ALA  14  -0.407  -5.924  -1.532
   68    HB1  ALA  14           HB1      ALA  14  -0.684  -5.973  -3.968
   69    HB2  ALA  14           HB2      ALA  14  -2.208  -6.827  -3.749
   70    H    SER  15           H        SER  15  -2.311  -4.478  -1.015
   71    HA   SER  15           HA       SER  15  -4.222  -4.013   0.161
   72    HB2  SER  15           HB2      SER  15  -5.990  -5.364  -0.179
   73    HB3  SER  15           HB3      SER  15  -4.893  -6.391  -1.102
   74    HG   SER  15           HG       SER  15  -6.196  -7.149   0.945
   75    H    CYS  16           H        CYS  16  -2.723  -7.080   1.172
   76    HA   CYS  16           HA       CYS  16  -3.065  -6.338   3.972
   77    HB2  CYS  16           HB2      CYS  16  -1.851  -8.861   2.830
   78    HB3  CYS  16           HB3      CYS  16  -2.380  -8.596   4.488
   79    H    ALA  17           H        ALA  17  -1.131  -6.884   5.426
   80    HA   ALA  17           HA       ALA  17   1.146  -5.380   4.417
   81    HB1  ALA  17           HB1      ALA  17   1.906  -5.392   6.759
   82    HB2  ALA  17           HB2      ALA  17   0.267  -4.762   6.587
   83    HB3  ALA  17           HB3      ALA  17   0.523  -6.400   7.186
   84    H    ALA  18           H        ALA  18   0.234  -8.575   4.690
   85    HA   ALA  18           HA       ALA  18   1.296 -10.555   4.281
   86    HB1  ALA  18           HB1      ALA  18   3.134  -8.620   3.199
   87    HB2  ALA  18           HB2      ALA  18   4.002  -9.828   4.142
   88    H    SER  19           H        SER  19   3.756  -8.583   5.974
   89    HA   SER  19           HA       SER  19   4.499 -10.672   7.724
   90    HB2  SER  19           HB2      SER  19   4.883  -7.704   8.167
   91    HB3  SER  19           HB3      SER  19   5.824  -9.014   8.881
   92    HG   SER  19           HG       SER  19   6.289  -7.757   6.619
  Start of MODEL   18
    1    H1   ALA   1           H        ALA   1   2.866   0.834  -5.925
    2    HA   ALA   1           HA       ALA   1   2.527  -0.900  -3.671
    3    HB1  ALA   1           HB1      ALA   1   2.577   1.177  -2.450
    4    HB2  ALA   1           HB2      ALA   1   1.368   1.879  -3.526
    5    HB3  ALA   1           HB3      ALA   1   0.930   0.547  -2.457
    6    H    CYS   2           H        CYS   2   0.202  -1.524  -3.393
    7    HA   CYS   2           HA       CYS   2  -0.931  -2.114  -5.935
    8    HB2  CYS   2           HB2      CYS   2  -1.266  -2.988  -3.231
    9    HB3  CYS   2           HB3      CYS   2  -2.847  -2.583  -3.891
   10    H    GLY   3           H        GLY   3  -2.588  -1.190  -7.018
   11    HA2  GLY   3           HA2      GLY   3  -3.351   1.469  -6.346
   12    HA3  GLY   3           HA3      GLY   3  -3.999   0.508  -7.668
   13    H    DBB   4           H        DBB   4  -4.484  -1.490  -5.220
   14    HA   DBB   4           HA       DBB   4  -6.556  -0.255  -3.758
   15    HB2  DBB   4           HB       DBB   4  -5.334  -2.146  -2.997
   16    HG1  DBB   4          HG21      DBB   4  -6.977  -2.647  -1.626
   17    HG2  DBB   4          HG22      DBB   4  -7.945  -3.381  -2.905
   18    HG3  DBB   4          HG23      DBB   4  -7.991  -1.635  -2.653
   19    H    GLY   5           H        GLY   5  -6.644  -1.788  -6.920
   20    HA2  GLY   5           HA2      GLY   5  -9.523  -2.026  -6.923
   21    HA3  GLY   5           HA3      GLY   5  -8.926  -0.627  -7.802
   22    H    ASP   6           H        ASP   6  -8.657  -0.927  -9.901
   23    HA   ASP   6           HA       ASP   6  -8.909  -3.462 -11.124
   24    HB2  ASP   6           HB2      ASP   6  -8.215  -2.218 -13.212
   25    HB3  ASP   6           HB3      ASP   6  -9.606  -1.548 -12.364
   26    H    GLY   7           H        GLY   7  -7.323  -4.829 -10.271
   27    HA2  GLY   7           HA2      GLY   7  -5.268  -5.809 -11.279
   28    HA3  GLY   7           HA3      GLY   7  -4.568  -4.203 -11.142
   29    H    CYS   8           H        CYS   8  -6.188  -4.140  -8.465
   30    HA   CYS   8           HA       CYS   8  -3.956  -4.846  -6.826
   31    HB2  CYS   8           HB2      CYS   8  -5.305  -2.960  -6.182
   32    HB3  CYS   8           HB3      CYS   8  -6.762  -3.948  -6.152
   33    H    ALA   9           H        ALA   9  -3.705  -6.542  -5.425
   34    HA   ALA   9           HA       ALA   9  -5.584  -8.776  -5.783
   35    HB1  ALA   9           HB1      ALA   9  -2.718  -8.851  -4.847
   36    HB2  ALA   9           HB2      ALA   9  -3.756 -10.243  -5.157
   37    HB3  ALA   9           HB3      ALA   9  -3.268  -9.193  -6.488
   38    H    LYS  10           H        LYS  10  -5.002 -10.355  -3.669
   39    HA   LYS  10           HA       LYS  10  -5.617  -8.703  -1.309
   40    HB2  LYS  10           HB2      LYS  10  -7.147 -10.474  -0.544
   41    HB3  LYS  10           HB3      LYS  10  -7.664  -9.774  -2.072
   42    HG2  LYS  10           HG2      LYS  10  -7.940 -11.938  -2.626
   43    HG3  LYS  10           HG3      LYS  10  -6.219 -11.824  -3.003
   44    HD2  LYS  10           HD2      LYS  10  -6.134 -13.659  -1.671
   45    HD3  LYS  10           HD3      LYS  10  -6.043 -12.432  -0.405
   46    HE2  LYS  10           HE2      LYS  10  -7.678 -14.055   0.243
   47    HE3  LYS  10           HE3      LYS  10  -8.521 -12.569  -0.190
   48    HZ1  LYS  10           HZ1      LYS  10  -9.410 -14.792  -1.070
   49    HZ2  LYS  10           HZ2      LYS  10  -8.139 -14.708  -2.182
   50    HZ3  LYS  10           HZ3      LYS  10  -9.310 -13.488  -2.144
   51    H    DBB  11           H        DBB  11  -5.040  -9.657   0.753
   52    HA   DBB  11           HA       DBB  11  -3.356 -11.994   0.699
   53    HB2  DBB  11           HB       DBB  11  -4.900 -11.610   2.465
   54    HG1  DBB  11          HG21      DBB  11  -2.881 -12.959   2.760
   55    HG2  DBB  11          HG22      DBB  11  -3.512 -12.309   4.274
   56    HG3  DBB  11          HG23      DBB  11  -2.098 -11.572   3.517
   57    H    CYS  12           H        CYS  12  -1.113 -12.059   1.585
   58    HA   CYS  12           HA       CYS  12   0.334  -9.622   1.932
   59    HB2  CYS  12           HB2      CYS  12   0.838 -11.847   3.049
   60    HB3  CYS  12           HB3      CYS  12   1.516 -12.368   1.510
   61    H    ALA  13           H        ALA  13   0.069  -8.484  -0.016
   62    HA   ALA  13           HA       ALA  13   2.110  -8.797  -1.903
   63    HB1  ALA  13           HB1      ALA  13   1.085 -10.660  -2.855
   64    HB2  ALA  13           HB2      ALA  13  -0.533  -9.978  -2.681
   65    HB3  ALA  13           HB3      ALA  13   0.573  -9.327  -3.891
   66    H    ALA  14           H        ALA  14  -1.084  -7.598  -1.195
   67    HA   ALA  14           HA       ALA  14  -0.375  -4.911  -1.956
   68    HB1  ALA  14           HB1      ALA  14  -2.017  -6.544  -3.696
   69    HB2  ALA  14           HB2      ALA  14  -2.959  -5.265  -2.936
   70    H    SER  15           H        SER  15  -3.426  -6.665  -1.325
   71    HA   SER  15           HA       SER  15  -4.543  -4.728   0.321
   72    HB2  SER  15           HB2      SER  15  -5.799  -6.626  -0.667
   73    HB3  SER  15           HB3      SER  15  -5.007  -7.717   0.470
   74    HG   SER  15           HG       SER  15  -7.114  -6.976   1.143
   75    H    CYS  16           H        CYS  16  -3.326  -7.858   1.516
   76    HA   CYS  16           HA       CYS  16  -2.886  -6.694   4.136
   77    HB2  CYS  16           HB2      CYS  16  -2.185  -9.511   3.349
   78    HB3  CYS  16           HB3      CYS  16  -2.642  -8.893   4.933
   79    H    ALA  17           H        ALA  17  -0.858  -6.918   5.276
   80    HA   ALA  17           HA       ALA  17   1.416  -6.465   3.493
   81    HB1  ALA  17           HB1      ALA  17   2.512  -5.450   5.371
   82    HB2  ALA  17           HB2      ALA  17   0.875  -4.802   5.258
   83    HB3  ALA  17           HB3      ALA  17   1.257  -6.025   6.470
   84    H    ALA  18           H        ALA  18   0.076  -8.931   5.263
   85    HA   ALA  18           HA       ALA  18   0.746 -11.062   5.744
   86    HB1  ALA  18           HB1      ALA  18   3.566 -10.591   4.956
   87    HB2  ALA  18           HB2      ALA  18   2.523 -11.985   4.696
   88    H    SER  19           H        SER  19   3.639  -9.029   6.297
   89    HA   SER  19           HA       SER  19   3.768 -10.092   9.025
   90    HB2  SER  19           HB2      SER  19   6.046  -8.751   8.886
   91    HB3  SER  19           HB3      SER  19   5.888 -10.343   8.146
   92    HG   SER  19           HG       SER  19   6.802  -8.529   6.838
  Start of MODEL   19
    1    H1   ALA   1           H        ALA   1   3.772  -0.806  -5.644
    2    HA   ALA   1           HA       ALA   1   1.386  -0.200  -4.183
    3    HB1  ALA   1           HB1      ALA   1   2.449   1.610  -5.279
    4    HB2  ALA   1           HB2      ALA   1   2.461   0.760  -6.824
    5    HB3  ALA   1           HB3      ALA   1   0.936   1.324  -6.140
    6    H    CYS   2           H        CYS   2   0.038  -1.971  -4.152
    7    HA   CYS   2           HA       CYS   2  -0.627  -3.452  -6.503
    8    HB2  CYS   2           HB2      CYS   2  -1.582  -3.407  -3.668
    9    HB3  CYS   2           HB3      CYS   2  -2.561  -4.224  -4.883
   10    H    GLY   3           H        GLY   3  -1.934  -0.658  -4.881
   11    HA2  GLY   3           HA2      GLY   3  -3.288   0.931  -6.018
   12    HA3  GLY   3           HA3      GLY   3  -3.853  -0.351  -7.079
   13    H    DBB   4           H        DBB   4  -4.528  -2.246  -5.066
   14    HA   DBB   4           HA       DBB   4  -6.099  -1.312  -3.016
   15    HB2  DBB   4           HB       DBB   4  -5.508  -3.588  -3.361
   16    HG1  DBB   4          HG21      DBB   4  -7.169  -3.211  -1.784
   17    HG2  DBB   4          HG22      DBB   4  -7.723  -4.600  -2.719
   18    HG3  DBB   4          HG23      DBB   4  -8.413  -3.002  -3.015
   19    H    GLY   5           H        GLY   5  -7.319  -1.930  -6.353
   20    HA2  GLY   5           HA2      GLY   5  -9.900  -0.858  -5.743
   21    HA3  GLY   5           HA3      GLY   5  -8.875   0.329  -6.537
   22    H    ASP   6           H        ASP   6  -7.471  -1.549  -8.198
   23    HA   ASP   6           HA       ASP   6  -9.443  -2.928  -9.788
   24    HB2  ASP   6           HB2      ASP   6  -9.378  -0.360 -10.396
   25    HB3  ASP   6           HB3      ASP   6  -7.927  -0.826 -11.279
   26    H    GLY   7           H        GLY   7  -8.303  -4.793  -9.773
   27    HA2  GLY   7           HA2      GLY   7  -6.759  -6.280 -10.655
   28    HA3  GLY   7           HA3      GLY   7  -5.943  -4.926 -11.423
   29    H    CYS   8           H        CYS   8  -6.660  -5.586  -8.003
   30    HA   CYS   8           HA       CYS   8  -3.770  -5.372  -7.469
   31    HB2  CYS   8           HB2      CYS   8  -4.493  -4.666  -5.151
   32    HB3  CYS   8           HB3      CYS   8  -4.867  -3.523  -6.437
   33    H    ALA   9           H        ALA   9  -2.999  -6.591  -5.570
   34    HA   ALA   9           HA       ALA   9  -4.175  -9.260  -5.568
   35    HB1  ALA   9           HB1      ALA   9  -1.533  -8.243  -5.436
   36    HB2  ALA   9           HB2      ALA   9  -1.844  -9.139  -3.949
   37    HB3  ALA   9           HB3      ALA   9  -2.061  -9.925  -5.513
   38    H    LYS  10           H        LYS  10  -4.255 -10.459  -3.486
   39    HA   LYS  10           HA       LYS  10  -5.143  -8.687  -1.305
   40    HB2  LYS  10           HB2      LYS  10  -6.511 -10.783  -0.635
   41    HB3  LYS  10           HB3      LYS  10  -7.082  -9.790  -1.970
   42    HG2  LYS  10           HG2      LYS  10  -5.285 -12.009  -2.695
   43    HG3  LYS  10           HG3      LYS  10  -6.875 -12.462  -2.077
   44    HD2  LYS  10           HD2      LYS  10  -7.783 -10.736  -3.759
   45    HD3  LYS  10           HD3      LYS  10  -6.188 -10.840  -4.506
   46    HE2  LYS  10           HE2      LYS  10  -7.382 -12.426  -5.688
   47    HE3  LYS  10           HE3      LYS  10  -6.609 -13.401  -4.440
   48    HZ1  LYS  10           HZ1      LYS  10  -9.146 -12.372  -3.610
   49    HZ2  LYS  10           HZ2      LYS  10  -8.571 -13.962  -3.591
   50    HZ3  LYS  10           HZ3      LYS  10  -9.274 -13.334  -4.996
   51    H    DBB  11           H        DBB  11  -4.948  -9.639   0.895
   52    HA   DBB  11           HA       DBB  11  -3.213 -11.839   1.311
   53    HB2  DBB  11           HB       DBB  11  -4.889 -11.169   2.858
   54    HG1  DBB  11          HG21      DBB  11  -2.884 -12.469   3.497
   55    HG2  DBB  11          HG22      DBB  11  -3.709 -11.676   4.840
   56    HG3  DBB  11          HG23      DBB  11  -2.217 -10.992   4.189
   57    H    CYS  12           H        CYS  12  -1.009 -11.935   2.025
   58    HA   CYS  12           HA       CYS  12   0.533  -9.643   2.585
   59    HB2  CYS  12           HB2      CYS  12   1.068 -11.976   3.324
   60    HB3  CYS  12           HB3      CYS  12   1.547 -12.340   1.670
   61    H    ALA  13           H        ALA  13  -0.577 -10.890  -0.347
   62    HA   ALA  13           HA       ALA  13   1.607 -10.106  -2.019
   63    HB1  ALA  13           HB1      ALA  13  -0.070 -10.404  -3.863
   64    HB2  ALA  13           HB2      ALA  13   0.168 -11.815  -2.831
   65    HB3  ALA  13           HB3      ALA  13  -1.259 -10.801  -2.622
   66    H    ALA  14           H        ALA  14  -1.206  -8.551  -0.743
   67    HA   ALA  14           HA       ALA  14  -0.400  -5.945  -1.041
   68    HB1  ALA  14           HB1      ALA  14  -2.005  -6.990  -3.355
   69    HB2  ALA  14           HB2      ALA  14  -2.274  -5.366  -2.729
   70    H    SER  15           H        SER  15  -2.188  -4.401  -0.538
   71    HA   SER  15           HA       SER  15  -4.068  -3.783   0.615
   72    HB2  SER  15           HB2      SER  15  -5.054  -5.852  -0.709
   73    HB3  SER  15           HB3      SER  15  -5.032  -6.601   0.887
   74    HG   SER  15           HG       SER  15  -6.958  -5.254   0.092
   75    H    CYS  16           H        CYS  16  -3.056  -7.011   1.753
   76    HA   CYS  16           HA       CYS  16  -3.261  -6.143   4.512
   77    HB2  CYS  16           HB2      CYS  16  -2.250  -8.797   3.480
   78    HB3  CYS  16           HB3      CYS  16  -2.845  -8.433   5.096
   79    H    ALA  17           H        ALA  17  -1.505  -6.339   6.028
   80    HA   ALA  17           HA       ALA  17   0.921  -5.214   5.030
   81    HB1  ALA  17           HB1      ALA  17   1.662  -5.298   7.379
   82    HB2  ALA  17           HB2      ALA  17   0.073  -4.554   7.196
   83    HB3  ALA  17           HB3      ALA  17   0.209  -6.211   7.785
   84    H    ALA  18           H        ALA  18  -0.183  -8.384   5.569
   85    HA   ALA  18           HA       ALA  18   0.744 -10.437   5.187
   86    HB1  ALA  18           HB1      ALA  18   2.381  -8.793   3.633
   87    HB2  ALA  18           HB2      ALA  18   3.468  -9.579   4.773
   88    H    SER  19           H        SER  19   3.291  -8.366   6.614
   89    HA   SER  19           HA       SER  19   3.554 -10.363   8.763
   90    HB2  SER  19           HB2      SER  19   5.829  -9.148   9.090
   91    HB3  SER  19           HB3      SER  19   5.652 -10.257   7.730
   92    HG   SER  19           HG       SER  19   6.574  -8.033   7.369
  Start of MODEL   20
    1    H1   ALA   1           H        ALA   1   0.112   2.344  -0.719
    2    HA   ALA   1           HA       ALA   1  -0.346  -0.143   0.122
    3    HB1  ALA   1           HB1      ALA   1  -2.719   0.348   0.278
    4    HB2  ALA   1           HB2      ALA   1  -1.768   1.774   0.695
    5    HB3  ALA   1           HB3      ALA   1  -2.542   1.661  -0.886
    6    H    CYS   2           H        CYS   2   0.615  -0.213  -2.664
    7    HA   CYS   2           HA       CYS   2   0.453  -1.622  -4.445
    8    HB2  CYS   2           HB2      CYS   2  -0.291  -3.228  -2.588
    9    HB3  CYS   2           HB3      CYS   2  -1.934  -2.911  -3.133
   10    H    GLY   3           H        GLY   3  -1.519   0.765  -3.798
   11    HA2  GLY   3           HA2      GLY   3  -2.875   2.009  -5.200
   12    HA3  GLY   3           HA3      GLY   3  -2.726   0.740  -6.406
   13    H    DBB   4           H        DBB   4  -3.771  -1.446  -5.197
   14    HA   DBB   4           HA       DBB   4  -6.127  -1.000  -3.753
   15    HB2  DBB   4           HB       DBB   4  -4.997  -3.088  -3.876
   16    HG1  DBB   4          HG21      DBB   4  -6.835  -4.191  -3.329
   17    HG2  DBB   4          HG22      DBB   4  -7.587  -3.940  -4.905
   18    HG3  DBB   4          HG23      DBB   4  -7.647  -2.667  -3.684
   19    H    GLY   5           H        GLY   5  -5.879  -1.603  -7.304
   20    HA2  GLY   5           HA2      GLY   5  -8.482  -0.220  -7.525
   21    HA3  GLY   5           HA3      GLY   5  -7.176   0.006  -8.678
   22    H    ASP   6           H        ASP   6  -7.258  -1.156 -10.480
   23    HA   ASP   6           HA       ASP   6  -9.242  -3.275 -10.688
   24    HB2  ASP   6           HB2      ASP   6  -7.629  -1.709 -12.683
   25    HB3  ASP   6           HB3      ASP   6  -8.468  -3.182 -13.160
   26    H    GLY   7           H        GLY   7  -8.809  -5.401 -11.017
   27    HA2  GLY   7           HA2      GLY   7  -7.610  -7.358 -10.963
   28    HA3  GLY   7           HA3      GLY   7  -6.454  -6.519 -11.986
   29    H    CYS   8           H        CYS   8  -7.403  -5.966  -8.604
   30    HA   CYS   8           HA       CYS   8  -4.572  -5.978  -7.877
   31    HB2  CYS   8           HB2      CYS   8  -6.789  -4.429  -7.075
   32    HB3  CYS   8           HB3      CYS   8  -6.330  -5.391  -5.674
   33    H    ALA   9           H        ALA   9  -3.948  -7.014  -5.813
   34    HA   ALA   9           HA       ALA   9  -5.240  -9.639  -5.591
   35    HB1  ALA   9           HB1      ALA   9  -2.664  -9.124  -4.231
   36    HB2  ALA   9           HB2      ALA   9  -3.216 -10.543  -5.121
   37    HB3  ALA   9           HB3      ALA   9  -2.652  -9.119  -5.995
   38    H    LYS  10           H        LYS  10  -4.407 -10.459  -3.132
   39    HA   LYS  10           HA       LYS  10  -5.249  -8.489  -1.163
   40    HB2  LYS  10           HB2      LYS  10  -6.942 -10.046  -0.206
   41    HB3  LYS  10           HB3      LYS  10  -7.373  -9.428  -1.795
   42    HG2  LYS  10           HG2      LYS  10  -6.987 -11.470  -2.834
   43    HG3  LYS  10           HG3      LYS  10  -5.998 -12.070  -1.500
   44    HD2  LYS  10           HD2      LYS  10  -7.939 -13.213  -1.097
   45    HD3  LYS  10           HD3      LYS  10  -8.246 -11.755  -0.151
   46    HE2  LYS  10           HE2      LYS  10 -10.203 -12.274  -1.451
   47    HE3  LYS  10           HE3      LYS  10  -9.461 -10.808  -2.092
   48    HZ1  LYS  10           HZ1      LYS  10  -9.861 -13.359  -3.353
   49    HZ2  LYS  10           HZ2      LYS  10  -8.285 -12.774  -3.533
   50    HZ3  LYS  10           HZ3      LYS  10  -9.597 -11.839  -4.048
   51    H    DBB  11           H        DBB  11  -4.998  -9.317   1.084
   52    HA   DBB  11           HA       DBB  11  -3.631 -11.732   1.569
   53    HB2  DBB  11           HB       DBB  11  -4.942 -10.591   3.191
   54    HG1  DBB  11          HG21      DBB  11  -3.081 -12.181   3.729
   55    HG2  DBB  11          HG22      DBB  11  -3.682 -11.194   5.062
   56    HG3  DBB  11          HG23      DBB  11  -2.163 -10.775   4.265
   57    H    CYS  12           H        CYS  12  -1.410 -12.190   2.072
   58    HA   CYS  12           HA       CYS  12   0.566 -10.136   2.056
   59    HB2  CYS  12           HB2      CYS  12   0.825 -12.214   3.358
   60    HB3  CYS  12           HB3      CYS  12   0.903 -13.137   1.861
   61    H    ALA  13           H        ALA  13  -0.081  -9.226  -0.061
   62    HA   ALA  13           HA       ALA  13   1.702 -10.180  -2.114
   63    HB1  ALA  13           HB1      ALA  13  -1.212 -10.009  -2.835
   64    HB2  ALA  13           HB2      ALA  13   0.121 -10.628  -3.810
   65    HB3  ALA  13           HB3      ALA  13  -0.423 -11.523  -2.392
   66    H    ALA  14           H        ALA  14  -0.828  -7.964  -1.146
   67    HA   ALA  14           HA       ALA  14   0.620  -5.641  -1.872
   68    HB1  ALA  14           HB1      ALA  14  -0.706  -6.602  -4.047
   69    HB2  ALA  14           HB2      ALA  14  -1.988  -5.732  -3.211
   70    H    SER  15           H        SER  15  -2.834  -6.536  -1.596
   71    HA   SER  15           HA       SER  15  -3.739  -4.372  -0.207
   72    HB2  SER  15           HB2      SER  15  -4.569  -7.254   0.209
   73    HB3  SER  15           HB3      SER  15  -5.497  -5.847   0.727
   74    HG   SER  15           HG       SER  15  -5.515  -5.223  -1.532
   75    H    CYS  16           H        CYS  16  -2.325  -7.313   1.204
   76    HA   CYS  16           HA       CYS  16  -2.080  -5.890   3.767
   77    HB2  CYS  16           HB2      CYS  16  -1.809  -8.863   3.310
   78    HB3  CYS  16           HB3      CYS  16  -1.986  -8.027   4.849
   79    H    ALA  17           H        ALA  17  -0.121  -5.699   4.785
   80    HA   ALA  17           HA       ALA  17   2.195  -5.588   3.206
   81    HB1  ALA  17           HB1      ALA  17   3.282  -4.800   5.077
   82    HB2  ALA  17           HB2      ALA  17   1.602  -4.427   5.464
   83    HB3  ALA  17           HB3      ALA  17   2.377  -5.843   6.174
   84    H    ALA  18           H        ALA  18   0.707  -8.198   4.764
   85    HA   ALA  18           HA       ALA  18   1.184 -10.432   4.848
   86    HB1  ALA  18           HB1      ALA  18   2.890  -9.550   2.766
   87    HB2  ALA  18           HB2      ALA  18   3.886 -10.416   3.931
   88    H    SER  19           H        SER  19   4.283  -8.704   5.319
   89    HA   SER  19           HA       SER  19   4.464  -9.996   7.963
   90    HB2  SER  19           HB2      SER  19   6.171 -10.782   6.322
   91    HB3  SER  19           HB3      SER  19   6.769  -9.128   6.203
   92    HG   SER  19           HG       SER  19   6.810 -10.852   8.445