*HEADER    ANTIBIOTIC                              19-JAN-18   5Z5Q              
*TITLE     NUKACIN ISK-1 IN ACTIVE STATE                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LANTIBIOTIC NUKACIN;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: BACTERIOCIN ISK-1                                           
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS WARNERI;                         
*SOURCE   3 ORGANISM_TAXID: 1292                                                 
*KEYWDS    LANTIBIOTICS, ANTIBIOTIC                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    D.KOHDA,D.FUJINAMI                                                    
*REVDAT   1   28-NOV-18 5Z5Q    0                                                
# Lower distance limit
  9 ABAS HB3    14 CYSS SG      2.40
  9 ABAS CG     14 CYSS SG      2.80           
 11 DALS HB2    25 CYSS SG      2.40
 11 DALS HB3    25 CYSS SG      2.40     
 18 DALS HB2    26 CYSS SG      2.40
 18 DALS HB3    26 CYSS SG      2.40
# Restraints file 1: 1103_mono.upl
  9 DBB  CB     14 CYS  SG      2.00           
 11 DAL  CB     25 CYS  SG      2.00    
 18 DAL  CB     26 CYS  SG      2.00
# Restraints file 2: CC.aco
   7   ILE  PHI    -160.0   -80.0
   9   DBB  PHI     80.0    160.0
  10   VAL  PHI    -140.0  -100.0
  14   CYS  PHI    -160.0   -80.0
  18   DAL  PHI     80.0    160.0
  25   CYS  PHI    -160.0   -80.0
  27   SER  PHI    -160.0   -80.0
  26   CYS  PHI    -160.0   -80.0

# Restraints file 3: 1103_4.8_BMRB.upl
  7 ILE  HB      8 PRO  HD2     5.13            #peak    68
  7 ILE  QG2     8 PRO  HD3     4.37            #peak    98
  9 DBB  QG     14 CYS  HB2     4.91            #peak   177
  9 DBB  QG     14 CYS  HB3     4.91            #peak   179
  7 ILE  HA      9 DBB  QG      5.35            #peak    26
 22 VAL  QQG    23 PHE  QB      5.34            #peak   181
  7 ILE  HB      8 PRO  HD3     5.13            #peak    86
  9 DBB  QB     14 CYS  HB2     3.98            #peak   193
 10 VAL  HA     18 DAL  HB3     3.19            #peak    76
  7 ILE  HA      7 ILE  QD1     5.50            #peak   104
  7 ILE  QG2     8 PRO  HD2     4.37            #peak    97
  7 ILE  HB      7 ILE  QD1     4.21            #peak   134
 23 PHE  QD     24 DBU  QG      5.16            #peak   240
 21 PHE  HA     21 PHE  QD      4.46            #peak   161
 21 PHE  QD     26 CYS  HA      5.50            #peak   177
 19 PHE  HA     19 PHE  QD      5.43            #peak   179
  9 DBB  HA     19 PHE  QD      5.50            #peak   180
 19 PHE  QD     20 GLN  QG      5.50            #peak   182
 23 PHE  HA     23 PHE  QD      4.58            #peak   163
 19 PHE  QE     20 GLN  HB2     5.50            #peak   184
 19 PHE  QE     20 GLN  HB3     5.50            #peak   185
 19 PHE  QE     20 GLN  QG      5.50            #peak   186
  9 DBB  QB     15 HIS  HD2     5.50            #peak   192
 21 PHE  QE     22 VAL  HA      5.50            #peak   193
 18 DAL  HA     21 PHE  QE      5.50            #peak   194
  9 DBB  HA     15 HIS  HD2     5.38            #peak   195
 22 VAL  QQG    23 PHE  QD      3.98            #peak   230
 23 PHE  HZ     24 DBU  QG      5.50            #peak   200
 20 GLN  HB3    21 PHE  QD      5.50            #peak   201
 20 GLN  QG     21 PHE  QD      4.24            #peak   203
 20 GLN  HB2    21 PHE  QD      5.50            #peak   204
 12 HIS  HD2    13 ASP  QB      5.50            #peak   205
 20 GLN  HA     21 PHE  QD      5.50            #peak   206
 12 HIS  H      13 ASP  QB      5.50            #peak     4
 13 ASP  H      13 ASP  QB      4.07            #peak   166
 22 VAL  HA     24 DBU  H       5.50            #peak    10
 22 VAL  H      22 VAL  QQG     4.56            #peak   117
  6 VAL  HA     10 VAL  H       5.06            #peak    16
  9 DBB  QB     10 VAL  H       5.50            #peak    17
  9 DBB  QG     10 VAL  H       5.50            #peak    19
  7 ILE  H       7 ILE  HB      4.00            #peak   125
  7 ILE  H       7 ILE  HG12    5.00            #peak   124
  7 ILE  H       7 ILE  HG13    5.00            #peak    26
 22 VAL  QQG    23 PHE  H       4.65            #peak   136
 18 DAL  HB2    19 PHE  H       5.03            #peak    31
 18 DAL  HB3    19 PHE  H       5.50            #peak    34
 16 MET  H      16 MET  HG3     5.02            #peak   142
  6 VAL  H       7 ILE  QG2     4.97            #peak    41
 18 DAL  H      18 DAL  HB3     3.38            #peak    42
 24 DBU  H      25 CYS  H       4.75            #peak    51
 13 ASP  H      15 HIS  H       3.98            #peak    50
 23 PHE  H      24 DBU  H       3.85            #peak    53
 12 HIS  H      13 ASP  H       4.05            #peak    54
 10 VAL  HB     11 DAL  H       4.66            #peak   161
  9 DBB  QB     15 HIS  H       5.50            #peak    63
 20 GLN  H      20 GLN  HB2     4.08            #peak    75
 22 VAL  HA     22 VAL  QQG     3.63            #peak   100
  6 VAL  HA      6 VAL  QQG     4.10            #peak   104
  9 DBB  HA      9 DBB  QG      3.69            #peak   109
 22 VAL  H      22 VAL  HB      3.94            #peak   118
  9 DBB  H       9 DBB  QG      4.23            #peak    79
  6 VAL  H       6 VAL  QQG     4.38            #peak   121
  6 VAL  QQG     7 ILE  H       4.03            #peak   122
  6 VAL  HB      7 ILE  H       4.76            #peak   126
 10 VAL  H      10 VAL  HB      4.08            #peak   128
 10 VAL  H      10 VAL  QG2     4.35            #peak    20
 10 VAL  H      10 VAL  QG1     4.35            #peak   131
 16 MET  H      16 MET  HG2     5.02            #peak   141
 16 MET  H      16 MET  HB2     4.06            #peak   143
 16 MET  H      16 MET  HB3     4.06            #peak   144
 12 HIS  QB     13 ASP  H       4.76            #peak     6
 23 PHE  QB     24 DBU  H       4.67            #peak   152
 24 DBU  H      24 DBU  QG      4.51            #peak   153
 16 MET  HB2    17 ASN  H       5.14            #peak   156
 16 MET  HB3    17 ASN  H       5.14            #peak   157
 22 VAL  HB     23 PHE  H       4.65            #peak   158
  9 DBB  QB     14 CYS  HB3     3.98            #peak   189
 18 DAL  HB2    26 CYS  HA      2.87            #peak   192
 14 CYS   H     14 CYS  HA      2.92            #peak   196
  6 VAL  H       6 VAL  HB      3.82            #peak   127
 23 PHE  QB     26 CYS  H       5.05            #peak   205
 23 PHE  QB     25 CYS  H       5.40            #peak   204
 20 GLN  H      20 GLN  HB3     4.08            #peak   216
 20 GLN  H      20 GLN  QG      4.54            #peak   217
  9 DBB  QG     15 HIS  H       5.50            #peak   223
  9 DBB  QG     16 MET  H       5.50            #peak   224
 13 ASP  H      14 CYS  H       4.86            #peak   225
 21 PHE  QD     22 VAL  QQG     4.27            #peak   174
 19 PHE  QD     22 VAL  QQG     3.42            #peak   175
 21 PHE  QD     22 VAL  HA      5.50            #peak   236
 22 VAL  HA     23 PHE  QD      5.50            #peak   237
 22 VAL  HB     23 PHE  QD      5.50            #peak   238
  7 ILE  H       7 ILE  QG1     4.36            #peak   124
  7 ILE  H       8 PRO  QD      4.71            #peak    22
  7 ILE  HA      8 PRO  QD      3.54            #peak    60
  7 ILE  HB      8 PRO  QD      4.52            #peak    68
  7 ILE  QG2     8 PRO  QD      3.81            #peak    98
  7 ILE  QD1     8 PRO  QD      5.35            #peak    99
  8 PRO  QB     10 VAL  HA      5.34            #peak    83
  8 PRO  QG      9 DBB  H       4.80            #peak   120
  8 PRO  QG      9 DBB  QG      5.35            #peak   227
  8 PRO  QG     10 VAL  H       5.35            #peak   132
  8 PRO  QG     10 VAL  HA      4.91            #peak    85
  9 DBB  QG     14 CYS  QB      4.21            #peak   177
  9 DBB  QB     14 CYS  QB      3.45            #peak   193
  9 DBB  HA     10 VAL  QQG     4.69            #peak    24
 10 VAL  H      10 VAL  QQG     3.44            #peak   131
 10 VAL  QQG    11 DAL  H       5.44            #peak    64
 10 VAL  QQG    14 CYS  QB      4.50            #peak    97
 14 CYS  H      14 CYS  QB      3.47            #peak   195
 14 CYS  QB     15 HIS  H       3.45            #peak    60
 14 CYS  QB     15 HIS  HD2     5.34            #peak   188
 16 MET  H      16 MET  QB      3.56            #peak   143
 16 MET  QB     16 MET  QG      2.36            #peak   129
 16 MET  QB     17 ASN  H       4.43            #peak   156
 18 DAL  HA     19 PHE  QB      4.37            #peak    57
 19 PHE  H      19 PHE  QB      2.96            #peak    32
 19 PHE  QB     20 GLN  QB      4.63            #peak    31
 19 PHE  QB     20 GLN  QG      3.70            #peak   121
 19 PHE  QB     22 VAL  QQG     4.08            #peak   184
 19 PHE  QD     20 GLN  QB      5.34            #peak   202
 20 GLN  H      20 GLN  QB      3.51            #peak   216
 20 GLN  QB     21 PHE  QE      5.34            #peak   239
 21 PHE  QD     26 CYS  QB      4.07            #peak   191
 21 PHE  QE     26 CYS  QB      5.18            #peak   190
 24 DBU  HB     25 CYS  QB      5.34            #peak   197
 25 CYS  H      25 CYS  QB      3.52            #peak   203
 25 CYS  H      26 CYS  QB      5.34            #peak   207
 26 CYS  H      26 CYS  QB      3.65            #peak    69
 27 SER  H      27 SER  QB      3.50            #peak    65

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1           H        LYS   1   1.806   0.000   0.856
    2    HA   LYS   1           HA       LYS   1   3.054  -0.453  -1.038
    3    HB2  LYS   1          2HB       LYS   1   1.946  -0.790  -3.223
    4    HB3  LYS   1          3HB       LYS   1   1.308  -1.851  -1.973
    5    HG2  LYS   1          2HG       LYS   1  -0.375   0.277  -1.787
    6    HG3  LYS   1          3HG       LYS   1  -0.013   0.256  -3.514
    7    HD2  LYS   1          2HD       LYS   1  -1.002  -2.096  -1.902
    8    HD3  LYS   1          3HD       LYS   1  -1.993  -1.095  -2.966
    9    HE2  LYS   1          2HE       LYS   1   0.230  -1.903  -4.483
   10    HE3  LYS   1          3HE       LYS   1  -0.316  -3.335  -3.612
   11    HZ1  LYS   1          1HZ       LYS   1  -1.508  -3.284  -5.622
   12    HZ2  LYS   1          2HZ       LYS   1  -1.873  -1.639  -5.475
   13    HZ3  LYS   1          3HZ       LYS   1  -2.604  -2.762  -4.442
   14    H    LYS   2           H        LYS   2   0.546   1.990  -1.009
   15    HA   LYS   2           HA       LYS   2   2.231   3.758  -2.643
   16    HB2  LYS   2          2HB       LYS   2  -0.459   3.244  -2.812
   17    HB3  LYS   2          3HB       LYS   2  -0.430   4.732  -1.875
   18    HG2  LYS   2          2HG       LYS   2  -0.356   5.766  -3.845
   19    HG3  LYS   2          3HG       LYS   2   1.340   5.277  -3.889
   20    HD2  LYS   2          2HD       LYS   2   0.587   3.152  -5.007
   21    HD3  LYS   2          3HD       LYS   2  -1.017   3.877  -5.142
   22    HE2  LYS   2          2HE       LYS   2   0.378   5.861  -6.206
   23    HE3  LYS   2          3HE       LYS   2   1.510   4.555  -6.555
   24    HZ1  LYS   2          1HZ       LYS   2   0.236   4.372  -8.387
   25    HZ2  LYS   2          2HZ       LYS   2  -1.125   5.073  -7.669
   26    HZ3  LYS   2          3HZ       LYS   2  -0.755   3.450  -7.373
   27    H    LYS   3           H        LYS   3   1.839   6.183  -1.948
   28    HA   LYS   3           HA       LYS   3   2.135   6.365   0.976
   29    HB2  LYS   3          2HB       LYS   3   3.920   7.960   0.727
   30    HB3  LYS   3          3HB       LYS   3   4.331   6.518  -0.191
   31    HG2  LYS   3          2HG       LYS   3   3.512   7.676  -2.240
   32    HG3  LYS   3          3HG       LYS   3   3.320   9.138  -1.271
   33    HD2  LYS   3          2HD       LYS   3   5.768   8.869  -0.649
   34    HD3  LYS   3          3HD       LYS   3   5.857   7.658  -1.930
   35    HE2  LYS   3          2HE       LYS   3   4.607   9.766  -3.169
   36    HE3  LYS   3          3HE       LYS   3   5.753  10.572  -2.099
   37    HZ1  LYS   3          1HZ       LYS   3   6.751   8.315  -3.655
   38    HZ2  LYS   3          2HZ       LYS   3   7.520   9.760  -3.229
   39    HZ3  LYS   3          3HZ       LYS   3   6.411   9.738  -4.506
   40    H    SER   4           H        SER   4  -0.195   6.833  -0.711
   41    HA   SER   4           HA       SER   4  -0.839   9.487   0.256
   42    HB2  SER   4          2HB       SER   4  -1.495   9.021  -2.622
   43    HB3  SER   4          3HB       SER   4  -1.237  10.538  -1.761
   44    HG   SER   4           HG       SER   4   0.505   9.148  -3.209
   45    H    GLY   5           H        GLY   5  -1.817   7.163   1.222
   46    HA2  GLY   5          2HA       GLY   5  -4.503   6.930   0.015
   47    HA3  GLY   5          3HA       GLY   5  -3.710   5.649   0.920
   48    H    VAL   6           H        VAL   6  -5.797   8.324   1.073
   49    HA   VAL   6           HA       VAL   6  -6.646   7.765   3.688
   50    HB   VAL   6           HB       VAL   6  -4.550   8.736   4.421
   51   HG11  VAL   6          1HG1      VAL   6  -3.914  11.014   3.904
   52   HG12  VAL   6          2HG1      VAL   6  -4.117  10.097   2.410
   53   HG13  VAL   6          3HG1      VAL   6  -5.368  11.227   2.930
   54   HG21  VAL   6          1HG2      VAL   6  -6.689   9.183   5.664
   55   HG22  VAL   6          2HG2      VAL   6  -5.390  10.337   5.966
   56   HG23  VAL   6          3HG2      VAL   6  -6.721  10.768   4.893
   57    H    ILE   7           H        ILE   7  -6.329  10.144   1.122
   58    HA   ILE   7           HA       ILE   7  -8.666  11.625   1.885
   59    HB   ILE   7           HB       ILE   7  -6.751  11.711  -0.389
   60   HG12  ILE   7          2HG1      ILE   7  -7.942  14.112   0.902
   61   HG13  ILE   7          3HG1      ILE   7  -6.918  13.088   1.902
   62   HG21  ILE   7          1HG2      ILE   7  -9.590  12.655  -0.518
   63   HG22  ILE   7          2HG2      ILE   7  -8.318  13.486  -1.412
   64   HG23  ILE   7          3HG2      ILE   7  -8.649  11.783  -1.728
   65   HD11  ILE   7          1HD1      ILE   7  -5.625  14.876   0.939
   66   HD12  ILE   7          2HD1      ILE   7  -5.112  13.333   0.253
   67   HD13  ILE   7          3HD1      ILE   7  -6.142  14.416  -0.683
   68    HA   PRO   8           HA       PRO   8 -10.607   9.359  -1.918
   69    HB2  PRO   8          2HB       PRO   8  -9.206   7.292  -2.983
   70    HB3  PRO   8          3HB       PRO   8  -9.017   8.963  -3.529
   71    HG2  PRO   8          2HG       PRO   8  -7.313   7.382  -1.643
   72    HG3  PRO   8          3HG       PRO   8  -6.818   8.474  -2.949
   73    HD2  PRO   8          2HD       PRO   8  -6.824   9.223  -0.347
   74    HD3  PRO   8          3HD       PRO   8  -7.157  10.361  -1.669
   75    H    DBB   9           H        DBB   9  -8.601   7.323   0.176
   76    HA   DBB   9           HA       DBB   9 -10.948   5.974   1.244
   77    HB2  DBB   9          3HB       DBB   9  -7.972   5.917   1.781
   78    HG1  DBB   9          1HG       DBB   9  -8.566   6.892   3.805
   79    HG2  DBB   9          2HG       DBB   9  -9.885   7.500   2.776
   80    HG3  DBB   9          3HG       DBB   9 -10.159   6.099   3.839
   81    H    VAL  10           H        VAL  10  -7.909   4.817  -0.236
   82    HA   VAL  10           HA       VAL  10  -9.455   2.783  -1.674
   83    HB   VAL  10           HB       VAL  10  -7.558   2.508  -3.122
   84   HG11  VAL  10          1HG1      VAL  10  -9.106   4.670  -3.127
   85   HG12  VAL  10          2HG1      VAL  10  -7.549   5.462  -2.872
   86   HG13  VAL  10          3HG1      VAL  10  -7.800   4.443  -4.290
   87   HG21  VAL  10          1HG2      VAL  10  -5.537   2.695  -2.190
   88   HG22  VAL  10          2HG2      VAL  10  -5.695   4.429  -2.467
   89   HG23  VAL  10          3HG2      VAL  10  -6.134   3.742  -0.903
   90    H    DAL  11           H        DAL  11  -7.614   0.855  -2.137
   91    HA   DAL  11           HA       DAL  11  -6.018  -0.071  -0.024
   92    HB1  DAL  11          2HB       DAL  11  -5.738  -1.295  -1.991
   93    HB2  DAL  11          3HB       DAL  11  -6.763  -2.408  -1.055
   94    H    HIS  12           H        HIS  12  -6.414  -1.497   1.672
   95    HA   HIS  12           HA       HIS  12  -9.146  -1.404   2.693
   96    HB2  HIS  12          2HB       HIS  12  -9.002  -3.552   1.514
   97    HB3  HIS  12          3HB       HIS  12  -7.570  -3.975   2.447
   98    HD1  HIS  12           HD1      HIS  12  -9.117  -6.092   3.113
   99    HD2  HIS  12           HD2      HIS  12 -10.237  -2.407   4.670
  100    HE1  HIS  12           HE1      HIS  12 -10.668  -6.613   5.023
  101    H    ASP  13           H        ASP  13  -8.293   0.089   4.195
  102    HA   ASP  13           HA       ASP  13  -7.520  -0.970   6.652
  103    HB2  ASP  13          2HB       ASP  13  -5.338  -0.832   4.903
  104    HB3  ASP  13          3HB       ASP  13  -5.157   0.559   5.968
  105    H    CYS  14           H        CYS  14  -7.517   1.766   4.470
  106    HA   CYS  14           HA       CYS  14  -7.452   3.732   6.570
  107    HB2  CYS  14          2HB       CYS  14  -7.763   5.361   4.796
  108    HB3  CYS  14          3HB       CYS  14  -6.545   4.187   4.309
  109    H    HIS  15           H        HIS  15  -9.889   2.051   4.721
  110    HA   HIS  15           HA       HIS  15 -11.938   2.802   6.557
  111    HB2  HIS  15          2HB       HIS  15 -11.566   4.439   4.206
  112    HB3  HIS  15          3HB       HIS  15 -13.139   3.649   4.163
  113    HD1  HIS  15           HD1      HIS  15 -14.254   3.833   6.844
  114    HD2  HIS  15           HD2      HIS  15 -11.854   6.867   5.329
  115    HE1  HIS  15           HE1      HIS  15 -14.823   5.877   8.193
  116    H    MET  16           H        MET  16 -14.193   2.135   5.430
  117    HA   MET  16           HA       MET  16 -13.704  -0.476   4.153
  118    HB2  MET  16          2HB       MET  16 -15.793  -1.240   5.276
  119    HB3  MET  16          3HB       MET  16 -14.501  -0.829   6.396
  120    HG2  MET  16          2HG       MET  16 -15.596   1.427   6.643
  121    HG3  MET  16          3HG       MET  16 -16.965   0.760   5.758
  122    HE1  MET  16          1HE       MET  16 -19.133   0.107   7.678
  123    HE2  MET  16          2HE       MET  16 -18.535   0.915   9.126
  124    HE3  MET  16          3HE       MET  16 -18.271   1.640   7.539
  125    H    ASN  17           H        ASN  17 -15.141   2.559   3.847
  126    HA   ASN  17           HA       ASN  17 -17.492   2.137   2.475
  127    HB2  ASN  17          2HB       ASN  17 -15.376   4.255   2.064
  128    HB3  ASN  17          3HB       ASN  17 -16.954   4.298   1.282
  129   HD21  ASN  17          1HD2      ASN  17 -17.431   6.247   2.325
  130   HD22  ASN  17          2HD2      ASN  17 -17.869   6.296   3.996
  131    H    DAL  18           H        DAL  18 -14.530   3.016   0.719
  132    HA   DAL  18           HA       DAL  18 -15.326   1.115  -1.434
  133    HB1  DAL  18          2HB       DAL  18 -13.025   0.550  -1.786
  134    HB2  DAL  18          3HB       DAL  18 -12.464   1.879  -0.743
  135    H    PHE  19           H        PHE  19 -13.643   1.795  -3.376
  136    HA   PHE  19           HA       PHE  19 -14.699   4.185  -4.396
  137    HB2  PHE  19          2HB       PHE  19 -13.189   5.227  -2.737
  138    HB3  PHE  19          3HB       PHE  19 -11.822   4.407  -3.484
  139    HD1  PHE  19           HD1      PHE  19 -14.617   5.871  -5.374
  140    HD2  PHE  19           HD2      PHE  19 -10.598   6.362  -4.062
  141    HE1  PHE  19           HE1      PHE  19 -14.343   7.757  -6.930
  142    HE2  PHE  19           HE2      PHE  19 -10.318   8.249  -5.615
  143    HZ   PHE  19           HZ       PHE  19 -12.192   8.950  -7.051
  144    H    GLN  20           H        GLN  20 -14.428   4.265  -6.568
  145    HA   GLN  20           HA       GLN  20 -13.842   3.618  -8.667
  146    HB2  GLN  20          2HB       GLN  20 -11.230   3.038  -7.268
  147    HB3  GLN  20          3HB       GLN  20 -11.446   2.922  -9.009
  148    HG2  GLN  20          2HG       GLN  20 -11.892   5.419  -7.390
  149    HG3  GLN  20          3HG       GLN  20 -10.417   5.041  -8.280
  150   HE21  GLN  20          1HE2      GLN  20 -13.719   6.039  -8.492
  151   HE22  GLN  20          2HE2      GLN  20 -13.707   6.452 -10.170
  152    H    PHE  21           H        PHE  21 -11.758   1.221  -7.151
  153    HA   PHE  21           HA       PHE  21 -12.797  -0.913  -8.654
  154    HB2  PHE  21          2HB       PHE  21 -11.579  -2.320  -6.859
  155    HB3  PHE  21          3HB       PHE  21 -10.619  -1.235  -7.859
  156    HD1  PHE  21           HD1      PHE  21 -12.032  -1.783  -4.519
  157    HD2  PHE  21           HD2      PHE  21  -9.522   0.673  -6.924
  158    HE1  PHE  21           HE1      PHE  21 -11.147  -0.708  -2.490
  159    HE2  PHE  21           HE2      PHE  21  -8.633   1.752  -4.899
  160    HZ   PHE  21           HZ       PHE  21  -9.444   1.061  -2.679
  161    H    VAL  22           H        VAL  22 -13.409   0.121  -5.322
  162    HA   VAL  22           HA       VAL  22 -14.852  -0.757  -3.736
  163    HB   VAL  22           HB       VAL  22 -17.215  -0.486  -4.447
  164   HG11  VAL  22          1HG1      VAL  22 -15.951   1.433  -3.656
  165   HG12  VAL  22          2HG1      VAL  22 -15.352   1.733  -5.289
  166   HG13  VAL  22          3HG1      VAL  22 -17.070   1.915  -4.930
  167   HG21  VAL  22          1HG2      VAL  22 -17.819   0.088  -6.653
  168   HG22  VAL  22          2HG2      VAL  22 -16.139   0.318  -7.138
  169   HG23  VAL  22          3HG2      VAL  22 -16.746  -1.304  -6.805
  170    H    PHE  23           H        PHE  23 -13.551  -2.912  -4.711
  171    HA   PHE  23           HA       PHE  23 -15.275  -5.036  -4.172
  172    HB2  PHE  23          2HB       PHE  23 -15.656  -4.125  -6.769
  173    HB3  PHE  23          3HB       PHE  23 -14.591  -5.513  -6.963
  174    HD1  PHE  23           HD1      PHE  23 -17.936  -4.433  -6.536
  175    HD2  PHE  23           HD2      PHE  23 -15.303  -7.692  -5.787
  176    HE1  PHE  23           HE1      PHE  23 -19.869  -5.939  -6.314
  177    HE2  PHE  23           HE2      PHE  23 -17.232  -9.203  -5.564
  178    HZ   PHE  23           HZ       PHE  23 -19.518  -8.327  -5.829
  179    H    DBU  24           H        DBU  24 -13.828  -6.215  -3.110
  180    HB   DBU  24           HB       DBU  24 -10.750  -8.596  -3.721
  181    HG1  DBU  24          1HG       DBU  24 -12.751 -10.043  -4.181
  182    HG2  DBU  24          2HG       DBU  24 -12.319  -9.213  -5.682
  183    HG3  DBU  24          3HG       DBU  24 -13.656  -8.610  -4.686
  184    H    CYS  25           H        CYS  25 -10.831  -4.740  -4.274
  185    HA   CYS  25           HA       CYS  25  -8.589  -4.955  -2.482
  186    HB2  CYS  25          2HB       CYS  25  -8.193  -3.996  -4.652
  187    HB3  CYS  25          3HB       CYS  25  -9.459  -2.796  -4.409
  188    H    CYS  26           H        CYS  26 -11.717  -3.569  -2.372
  189    HA   CYS  26           HA       CYS  26 -11.131  -1.532  -0.438
  190    HB2  CYS  26          2HB       CYS  26 -13.075  -1.493  -2.052
  191    HB3  CYS  26          3HB       CYS  26 -13.826  -2.742  -1.065
  192    H    SER  27           H        SER  27 -12.788  -4.682  -0.295
  193    HA   SER  27           HA       SER  27 -12.038  -4.847   2.544
  194    HB2  SER  27          2HB       SER  27 -14.487  -4.238   2.176
  195    HB3  SER  27          3HB       SER  27 -14.684  -5.852   1.493
  196    HG   SER  27           HG       SER  27 -15.173  -5.762   3.742
  Start of MODEL    2
    1    H1   LYS   1           H        LYS   1   4.715   4.214  -5.100
    2    HA   LYS   1           HA       LYS   1   2.193   5.540  -5.348
    3    HB2  LYS   1          2HB       LYS   1   3.561   3.770  -7.379
    4    HB3  LYS   1          3HB       LYS   1   2.330   4.987  -7.692
    5    HG2  LYS   1          2HG       LYS   1   4.048   6.315  -8.196
    6    HG3  LYS   1          3HG       LYS   1   4.260   6.456  -6.449
    7    HD2  LYS   1          2HD       LYS   1   5.992   4.889  -6.414
    8    HD3  LYS   1          3HD       LYS   1   5.550   4.229  -7.990
    9    HE2  LYS   1          2HE       LYS   1   6.621   7.012  -7.550
   10    HE3  LYS   1          3HE       LYS   1   7.613   5.628  -8.008
   11    HZ1  LYS   1          1HZ       LYS   1   7.085   6.006 -10.109
   12    HZ2  LYS   1          2HZ       LYS   1   6.107   7.312  -9.666
   13    HZ3  LYS   1          3HZ       LYS   1   5.447   5.758  -9.767
   14    H    LYS   2           H        LYS   2   1.427   3.925  -3.546
   15    HA   LYS   2           HA       LYS   2  -0.558   2.296  -4.705
   16    HB2  LYS   2          2HB       LYS   2   1.996   1.021  -4.252
   17    HB3  LYS   2          3HB       LYS   2   0.750   0.277  -3.259
   18    HG2  LYS   2          2HG       LYS   2  -0.628   0.166  -5.419
   19    HG3  LYS   2          3HG       LYS   2   0.902   0.478  -6.243
   20    HD2  LYS   2          2HD       LYS   2   1.857  -1.520  -5.454
   21    HD3  LYS   2          3HD       LYS   2   0.609  -1.728  -4.223
   22    HE2  LYS   2          2HE       LYS   2  -0.832  -1.664  -6.565
   23    HE3  LYS   2          3HE       LYS   2   0.632  -2.529  -7.028
   24    HZ1  LYS   2          1HZ       LYS   2  -0.968  -4.099  -6.260
   25    HZ2  LYS   2          2HZ       LYS   2  -1.235  -3.233  -4.832
   26    HZ3  LYS   2          3HZ       LYS   2   0.251  -4.000  -5.091
   27    H    LYS   3           H        LYS   3   1.485   2.739  -1.841
   28    HA   LYS   3           HA       LYS   3  -0.941   2.553  -0.177
   29    HB2  LYS   3          2HB       LYS   3   1.306   1.033   0.057
   30    HB3  LYS   3          3HB       LYS   3   1.683   2.352   1.157
   31    HG2  LYS   3          2HG       LYS   3  -0.400   1.939   2.368
   32    HG3  LYS   3          3HG       LYS   3  -0.773   0.612   1.265
   33    HD2  LYS   3          2HD       LYS   3   0.167  -0.498   3.065
   34    HD3  LYS   3          3HD       LYS   3   1.552  -0.297   1.990
   35    HE2  LYS   3          2HE       LYS   3   2.543   1.262   3.336
   36    HE3  LYS   3          3HE       LYS   3   1.007   1.848   3.972
   37    HZ1  LYS   3          1HZ       LYS   3   2.752  -0.164   5.010
   38    HZ2  LYS   3          2HZ       LYS   3   1.163  -0.724   4.864
   39    HZ3  LYS   3          3HZ       LYS   3   1.490   0.664   5.774
   40    H    SER   4           H        SER   4  -0.237   4.929  -1.531
   41    HA   SER   4           HA       SER   4   0.362   6.661   0.770
   42    HB2  SER   4          2HB       SER   4   1.557   6.735  -1.983
   43    HB3  SER   4          3HB       SER   4   1.390   8.227  -1.058
   44    HG   SER   4           HG       SER   4   3.277   7.560  -0.334
   45    H    GLY   5           H        GLY   5  -1.740   7.246   1.147
   46    HA2  GLY   5          2HA       GLY   5  -2.943   9.389   0.228
   47    HA3  GLY   5          3HA       GLY   5  -3.326   8.287  -1.086
   48    H    VAL   6           H        VAL   6  -4.978   9.702   1.015
   49    HA   VAL   6           HA       VAL   6  -6.655   7.407   1.638
   50    HB   VAL   6           HB       VAL   6  -6.976   8.294   4.006
   51   HG11  VAL   6          1HG1      VAL   6  -5.569   6.260   3.145
   52   HG12  VAL   6          2HG1      VAL   6  -4.205   7.239   3.687
   53   HG13  VAL   6          3HG1      VAL   6  -5.465   6.770   4.829
   54   HG21  VAL   6          1HG2      VAL   6  -5.744  10.439   3.507
   55   HG22  VAL   6          2HG2      VAL   6  -5.278   9.618   4.996
   56   HG23  VAL   6          3HG2      VAL   6  -4.253   9.498   3.566
   57    H    ILE   7           H        ILE   7  -6.579  10.053   0.072
   58    HA   ILE   7           HA       ILE   7  -8.685  11.628   1.222
   59    HB   ILE   7           HB       ILE   7  -7.082  11.737  -1.280
   60   HG12  ILE   7          2HG1      ILE   7  -7.288  14.261  -0.446
   61   HG13  ILE   7          3HG1      ILE   7  -7.709  13.465   1.067
   62   HG21  ILE   7          1HG2      ILE   7  -9.843  12.856  -0.980
   63   HG22  ILE   7          2HG2      ILE   7  -8.644  13.663  -1.990
   64   HG23  ILE   7          3HG2      ILE   7  -9.128  12.005  -2.349
   65   HD11  ILE   7          1HD1      ILE   7  -5.461  13.657   1.329
   66   HD12  ILE   7          2HD1      ILE   7  -5.530  12.082   0.537
   67   HD13  ILE   7          3HD1      ILE   7  -5.134  13.523  -0.399
   68    HA   PRO   8           HA       PRO   8 -11.262   9.728  -2.398
   69    HB2  PRO   8          2HB       PRO   8 -10.159   7.649  -3.753
   70    HB3  PRO   8          3HB       PRO   8  -9.929   9.336  -4.228
   71    HG2  PRO   8          2HG       PRO   8  -8.104   7.539  -2.679
   72    HG3  PRO   8          3HG       PRO   8  -7.712   8.679  -3.979
   73    HD2  PRO   8          2HD       PRO   8  -7.323   9.262  -1.364
   74    HD3  PRO   8          3HD       PRO   8  -7.747  10.499  -2.565
   75    H    DBB   9           H        DBB   9  -9.312   7.795  -0.281
   76    HA   DBB   9           HA       DBB   9 -11.662   6.214   0.497
   77    HB2  DBB   9          3HB       DBB   9  -8.872   6.602   1.637
   78    HG1  DBB   9          1HG       DBB   9 -10.056   7.589   3.490
   79    HG2  DBB   9          2HG       DBB   9 -10.758   8.285   2.010
   80    HG3  DBB   9          3HG       DBB   9 -11.622   6.997   2.884
   81    H    VAL  10           H        VAL  10  -8.226   5.353   0.115
   82    HA   VAL  10           HA       VAL  10  -9.101   2.883  -1.233
   83    HB   VAL  10           HB       VAL  10  -8.109   4.352  -2.897
   84   HG11  VAL  10          1HG1      VAL  10  -6.719   5.619  -1.207
   85   HG12  VAL  10          2HG1      VAL  10  -5.552   4.299  -1.313
   86   HG13  VAL  10          3HG1      VAL  10  -5.931   5.260  -2.743
   87   HG21  VAL  10          1HG2      VAL  10  -6.834   2.748  -3.901
   88   HG22  VAL  10          2HG2      VAL  10  -5.922   2.395  -2.434
   89   HG23  VAL  10          3HG2      VAL  10  -7.562   1.775  -2.623
   90    H    DAL  11           H        DAL  11  -7.954   1.009  -0.773
   91    HA   DAL  11           HA       DAL  11  -5.990   1.187   1.461
   92    HB1  DAL  11          2HB       DAL  11  -4.693   0.178  -0.153
   93    HB2  DAL  11          3HB       DAL  11  -5.539  -1.278   0.422
   94    H    HIS  12           H        HIS  12  -7.005   0.672   3.281
   95    HA   HIS  12           HA       HIS  12  -9.411  -0.729   3.496
   96    HB2  HIS  12          2HB       HIS  12  -8.516  -2.848   4.548
   97    HB3  HIS  12          3HB       HIS  12  -8.300  -2.722   2.805
   98    HD1  HIS  12           HD1      HIS  12  -6.388  -2.712   6.023
   99    HD2  HIS  12           HD2      HIS  12  -5.651  -2.578   1.936
  100    HE1  HIS  12           HE1      HIS  12  -3.915  -3.090   5.773
  101    H    ASP  13           H        ASP  13  -8.047   1.549   4.595
  102    HA   ASP  13           HA       ASP  13  -8.883   1.424   7.249
  103    HB2  ASP  13          2HB       ASP  13  -6.497   0.061   6.978
  104    HB3  ASP  13          3HB       ASP  13  -5.978   1.658   7.511
  105    H    CYS  14           H        CYS  14  -8.941   3.175   4.985
  106    HA   CYS  14           HA       CYS  14  -7.321   5.468   5.795
  107    HB2  CYS  14          2HB       CYS  14  -8.181   6.509   3.709
  108    HB3  CYS  14          3HB       CYS  14  -7.347   4.985   3.421
  109    H    HIS  15           H        HIS  15 -10.675   4.434   5.552
  110    HA   HIS  15           HA       HIS  15 -11.593   6.015   7.644
  111    HB2  HIS  15          2HB       HIS  15 -11.606   8.060   6.689
  112    HB3  HIS  15          3HB       HIS  15 -11.451   7.403   5.062
  113    HD1  HIS  15           HD1      HIS  15 -14.144   7.899   7.697
  114    HD2  HIS  15           HD2      HIS  15 -13.711   7.606   3.575
  115    HE1  HIS  15           HE1      HIS  15 -16.422   8.379   6.746
  116    H    MET  16           H        MET  16 -12.600   4.941   4.401
  117    HA   MET  16           HA       MET  16 -14.983   3.733   5.643
  118    HB2  MET  16          2HB       MET  16 -14.776   5.490   3.452
  119    HB3  MET  16          3HB       MET  16 -15.170   3.916   2.774
  120    HG2  MET  16          2HG       MET  16 -17.047   3.797   4.451
  121    HG3  MET  16          3HG       MET  16 -16.721   5.493   4.803
  122    HE1  MET  16          1HE       MET  16 -19.392   5.072   4.302
  123    HE2  MET  16          2HE       MET  16 -20.064   5.336   2.693
  124    HE3  MET  16          3HE       MET  16 -19.485   3.735   3.155
  125    H    ASN  17           H        ASN  17 -15.787   2.033   3.688
  126    HA   ASN  17           HA       ASN  17 -13.556   0.116   3.540
  127    HB2  ASN  17          2HB       ASN  17 -16.508  -0.264   3.960
  128    HB3  ASN  17          3HB       ASN  17 -15.512  -1.577   3.338
  129   HD21  ASN  17          1HD2      ASN  17 -14.275  -2.720   4.707
  130   HD22  ASN  17          2HD2      ASN  17 -14.154  -2.416   6.403
  131    H    DAL  18           H        DAL  18 -13.430   1.797   1.536
  132    HA   DAL  18           HA       DAL  18 -14.103   0.177  -0.798
  133    HB1  DAL  18          2HB       DAL  18 -12.882   2.943  -0.908
  134    HB2  DAL  18          3HB       DAL  18 -11.919   1.568  -0.317
  135    H    PHE  19           H        PHE  19 -14.809   1.605  -2.777
  136    HA   PHE  19           HA       PHE  19 -17.470   2.273  -2.450
  137    HB2  PHE  19          2HB       PHE  19 -17.049   4.198  -1.202
  138    HB3  PHE  19          3HB       PHE  19 -15.594   4.589  -2.113
  139    HD1  PHE  19           HD1      PHE  19 -15.813   6.587  -3.208
  140    HD2  PHE  19           HD2      PHE  19 -19.152   3.952  -3.050
  141    HE1  PHE  19           HE1      PHE  19 -17.107   8.149  -4.600
  142    HE2  PHE  19           HE2      PHE  19 -20.451   5.510  -4.443
  143    HZ   PHE  19           HZ       PHE  19 -19.429   7.611  -5.221
  144    H    GLN  20           H        GLN  20 -14.950   4.101  -4.178
  145    HA   GLN  20           HA       GLN  20 -16.176   4.302  -6.610
  146    HB2  GLN  20          2HB       GLN  20 -13.824   4.337  -7.581
  147    HB3  GLN  20          3HB       GLN  20 -14.163   5.495  -6.302
  148    HG2  GLN  20          2HG       GLN  20 -13.123   3.889  -4.692
  149    HG3  GLN  20          3HG       GLN  20 -12.626   2.923  -6.079
  150   HE21  GLN  20          1HE2      GLN  20 -11.265   4.676  -3.943
  151   HE22  GLN  20          2HE2      GLN  20 -10.135   5.605  -4.861
  152    H    PHE  21           H        PHE  21 -14.011   1.672  -5.579
  153    HA   PHE  21           HA       PHE  21 -15.353  -0.088  -7.499
  154    HB2  PHE  21          2HB       PHE  21 -12.933  -1.084  -7.828
  155    HB3  PHE  21          3HB       PHE  21 -13.479   0.285  -8.791
  156    HD1  PHE  21           HD1      PHE  21 -12.048  -0.115  -5.364
  157    HD2  PHE  21           HD2      PHE  21 -11.812   1.806  -9.155
  158    HE1  PHE  21           HE1      PHE  21 -10.125   1.201  -4.574
  159    HE2  PHE  21           HE2      PHE  21  -9.888   3.125  -8.371
  160    HZ   PHE  21           HZ       PHE  21  -9.042   2.822  -6.078
  161    H    VAL  22           H        VAL  22 -16.144  -0.270  -5.036
  162    HA   VAL  22           HA       VAL  22 -14.731  -1.604  -3.097
  163    HB   VAL  22           HB       VAL  22 -16.964  -2.653  -2.452
  164   HG11  VAL  22          1HG1      VAL  22 -15.955  -0.303  -1.852
  165   HG12  VAL  22          2HG1      VAL  22 -17.314   0.284  -2.812
  166   HG13  VAL  22          3HG1      VAL  22 -17.605  -0.722  -1.393
  167   HG21  VAL  22          1HG2      VAL  22 -17.602  -2.046  -5.083
  168   HG22  VAL  22          2HG2      VAL  22 -18.720  -2.564  -3.822
  169   HG23  VAL  22          3HG2      VAL  22 -18.478  -0.846  -4.133
  170    H    PHE  23           H        PHE  23 -13.396  -3.257  -3.582
  171    HA   PHE  23           HA       PHE  23 -14.407  -5.842  -3.956
  172    HB2  PHE  23          2HB       PHE  23 -14.544  -4.591  -6.328
  173    HB3  PHE  23          3HB       PHE  23 -12.878  -5.155  -6.408
  174    HD1  PHE  23           HD1      PHE  23 -12.390  -7.364  -6.971
  175    HD2  PHE  23           HD2      PHE  23 -16.364  -6.297  -5.883
  176    HE1  PHE  23           HE1      PHE  23 -13.175  -9.590  -7.668
  177    HE2  PHE  23           HE2      PHE  23 -17.156  -8.520  -6.577
  178    HZ   PHE  23           HZ       PHE  23 -15.561 -10.171  -7.471
  179    H    DBU  24           H        DBU  24 -11.536  -4.251  -5.344
  180    HB   DBU  24           HB       DBU  24  -8.145  -6.085  -4.600
  181    HG1  DBU  24          1HG       DBU  24  -8.839  -7.742  -6.183
  182    HG2  DBU  24          2HG       DBU  24  -9.504  -6.328  -7.013
  183    HG3  DBU  24          3HG       DBU  24 -10.532  -7.292  -5.937
  184    H    CYS  25           H        CYS  25  -8.726  -2.963  -4.496
  185    HA   CYS  25           HA       CYS  25  -7.857  -2.974  -1.718
  186    HB2  CYS  25          2HB       CYS  25  -6.342  -2.406  -3.692
  187    HB3  CYS  25          3HB       CYS  25  -7.223  -0.886  -3.801
  188    H    CYS  26           H        CYS  26 -10.610  -2.650  -2.009
  189    HA   CYS  26           HA       CYS  26 -10.933   0.009  -0.842
  190    HB2  CYS  26          2HB       CYS  26 -11.813  -0.644  -3.464
  191    HB3  CYS  26          3HB       CYS  26 -13.244  -0.515  -2.445
  192    H    SER  27           H        SER  27 -12.861  -2.832  -1.819
  193    HA   SER  27           HA       SER  27 -14.503  -2.632   0.538
  194    HB2  SER  27          2HB       SER  27 -15.778  -4.408  -0.376
  195    HB3  SER  27          3HB       SER  27 -15.259  -3.454  -1.766
  196    HG   SER  27           HG       SER  27 -14.726  -6.035  -1.165
  Start of MODEL    3
    1    H1   LYS   1           H        LYS   1   1.655   2.131  -1.747
    2    HA   LYS   1           HA       LYS   1   3.854   2.734  -3.387
    3    HB2  LYS   1          2HB       LYS   1   1.470   3.068  -4.753
    4    HB3  LYS   1          3HB       LYS   1   1.837   4.691  -4.183
    5    HG2  LYS   1          2HG       LYS   1   4.232   4.080  -5.141
    6    HG3  LYS   1          3HG       LYS   1   3.268   2.997  -6.148
    7    HD2  LYS   1          2HD       LYS   1   1.885   5.413  -6.178
    8    HD3  LYS   1          3HD       LYS   1   3.586   5.868  -6.303
    9    HE2  LYS   1          2HE       LYS   1   2.289   3.768  -8.029
   10    HE3  LYS   1          3HE       LYS   1   2.413   5.465  -8.490
   11    HZ1  LYS   1          1HZ       LYS   1   4.841   4.029  -7.677
   12    HZ2  LYS   1          2HZ       LYS   1   4.668   5.325  -8.750
   13    HZ3  LYS   1          3HZ       LYS   1   4.218   3.766  -9.228
   14    H    LYS   2           H        LYS   2   4.043   5.374  -3.403
   15    HA   LYS   2           HA       LYS   2   4.007   6.048  -0.578
   16    HB2  LYS   2          2HB       LYS   2   5.380   7.096  -3.005
   17    HB3  LYS   2          3HB       LYS   2   5.140   8.202  -1.659
   18    HG2  LYS   2          2HG       LYS   2   6.615   7.117  -0.320
   19    HG3  LYS   2          3HG       LYS   2   6.277   5.540  -1.037
   20    HD2  LYS   2          2HD       LYS   2   8.510   6.190  -1.636
   21    HD3  LYS   2          3HD       LYS   2   7.496   6.276  -3.079
   22    HE2  LYS   2          2HE       LYS   2   7.408   8.793  -1.746
   23    HE3  LYS   2          3HE       LYS   2   9.094   8.309  -1.920
   24    HZ1  LYS   2          1HZ       LYS   2   7.879   9.593  -3.815
   25    HZ2  LYS   2          2HZ       LYS   2   7.305   8.058  -4.232
   26    HZ3  LYS   2          3HZ       LYS   2   8.970   8.355  -4.188
   27    H    LYS   3           H        LYS   3   3.016   7.674  -3.596
   28    HA   LYS   3           HA       LYS   3   1.620   9.778  -2.442
   29    HB2  LYS   3          2HB       LYS   3   1.549   8.409  -5.083
   30    HB3  LYS   3          3HB       LYS   3   0.208   9.478  -4.691
   31    HG2  LYS   3          2HG       LYS   3   2.929  10.535  -4.230
   32    HG3  LYS   3          3HG       LYS   3   2.429  10.309  -5.908
   33    HD2  LYS   3          2HD       LYS   3   0.776  11.893  -5.770
   34    HD3  LYS   3          3HD       LYS   3   0.549  11.660  -4.035
   35    HE2  LYS   3          2HE       LYS   3   2.880  12.678  -3.779
   36    HE3  LYS   3          3HE       LYS   3   2.708  13.192  -5.457
   37    HZ1  LYS   3          1HZ       LYS   3   1.651  14.960  -4.675
   38    HZ2  LYS   3          2HZ       LYS   3   1.584  14.330  -3.107
   39    HZ3  LYS   3          3HZ       LYS   3   0.373  13.948  -4.224
   40    H    SER   4           H        SER   4   0.494   6.535  -3.302
   41    HA   SER   4           HA       SER   4  -2.173   7.107  -2.301
   42    HB2  SER   4          2HB       SER   4  -0.988   5.150  -4.065
   43    HB3  SER   4          3HB       SER   4  -1.948   4.352  -2.819
   44    HG   SER   4           HG       SER   4  -3.005   6.583  -4.151
   45    H    GLY   5           H        GLY   5  -3.166   5.954  -0.585
   46    HA2  GLY   5          2HA       GLY   5  -1.749   4.127   1.068
   47    HA3  GLY   5          3HA       GLY   5  -1.689   5.745   1.752
   48    H    VAL   6           H        VAL   6  -3.815   6.843   2.043
   49    HA   VAL   6           HA       VAL   6  -6.105   5.068   2.306
   50    HB   VAL   6           HB       VAL   6  -6.477   5.912   4.682
   51   HG11  VAL   6          1HG1      VAL   6  -4.066   4.164   4.617
   52   HG12  VAL   6          2HG1      VAL   6  -5.556   3.997   5.546
   53   HG13  VAL   6          3HG1      VAL   6  -5.541   3.612   3.824
   54   HG21  VAL   6          1HG2      VAL   6  -3.573   6.152   5.062
   55   HG22  VAL   6          2HG2      VAL   6  -4.326   7.491   4.195
   56   HG23  VAL   6          3HG2      VAL   6  -4.895   7.053   5.806
   57    H    ILE   7           H        ILE   7  -5.133   7.654   0.955
   58    HA   ILE   7           HA       ILE   7  -6.874   9.696   1.976
   59    HB   ILE   7           HB       ILE   7  -4.996   9.465  -0.317
   60   HG12  ILE   7          2HG1      ILE   7  -4.630  11.914   0.672
   61   HG13  ILE   7          3HG1      ILE   7  -5.434  11.200   2.066
   62   HG21  ILE   7          1HG2      ILE   7  -6.745  10.321  -1.584
   63   HG22  ILE   7          2HG2      ILE   7  -7.376  11.279  -0.245
   64   HG23  ILE   7          3HG2      ILE   7  -5.889  11.769  -1.056
   65   HD11  ILE   7          1HD1      ILE   7  -2.955  11.113   2.143
   66   HD12  ILE   7          2HD1      ILE   7  -3.738   9.538   2.273
   67   HD13  ILE   7          3HD1      ILE   7  -2.997  10.032   0.751
   68    HA   PRO   8           HA       PRO   8  -9.381   8.715  -2.038
   69    HB2  PRO   8          2HB       PRO   8  -8.706   6.471  -3.409
   70    HB3  PRO   8          3HB       PRO   8  -7.979   8.049  -3.732
   71    HG2  PRO   8          2HG       PRO   8  -6.908   5.762  -2.124
   72    HG3  PRO   8          3HG       PRO   8  -6.066   6.804  -3.286
   73    HD2  PRO   8          2HD       PRO   8  -5.871   7.155  -0.608
   74    HD3  PRO   8          3HD       PRO   8  -5.797   8.507  -1.756
   75    H    DBB   9           H        DBB   9  -8.168   5.828  -0.362
   76    HA   DBB   9           HA       DBB   9 -10.981   5.037   0.192
   77    HB2  DBB   9          3HB       DBB   9  -8.369   4.676   1.691
   78    HG1  DBB   9          1HG       DBB   9  -9.873   6.675   2.068
   79    HG2  DBB   9          2HG       DBB   9 -11.149   5.548   2.587
   80    HG3  DBB   9          3HG       DBB   9  -9.635   5.665   3.515
   81    H    VAL  10           H        VAL  10  -7.845   3.346   0.125
   82    HA   VAL  10           HA       VAL  10  -9.097   1.311  -1.603
   83    HB   VAL  10           HB       VAL  10  -7.472   2.499  -2.922
   84   HG11  VAL  10          1HG1      VAL  10  -5.640   3.413  -2.061
   85   HG12  VAL  10          2HG1      VAL  10  -6.091   2.753  -0.488
   86   HG13  VAL  10          3HG1      VAL  10  -5.039   1.832  -1.563
   87   HG21  VAL  10          1HG2      VAL  10  -5.799   0.161  -2.349
   88   HG22  VAL  10          2HG2      VAL  10  -7.508  -0.203  -2.590
   89   HG23  VAL  10          3HG2      VAL  10  -6.602   0.644  -3.843
   90    H    DAL  11           H        DAL  11  -8.835  -0.797  -1.054
   91    HA   DAL  11           HA       DAL  11  -7.002  -1.485   1.175
   92    HB1  DAL  11          2HB       DAL  11  -7.401  -2.709  -1.265
   93    HB2  DAL  11          3HB       DAL  11  -6.747  -3.522   0.177
   94    H    HIS  12           H        HIS  12  -7.768  -2.581   2.976
   95    HA   HIS  12           HA       HIS  12 -10.620  -2.196   3.499
   96    HB2  HIS  12          2HB       HIS  12  -9.982  -4.622   2.743
   97    HB3  HIS  12          3HB       HIS  12  -9.346  -4.764   4.379
   98    HD1  HIS  12           HD1      HIS  12 -12.594  -4.105   2.560
   99    HD2  HIS  12           HD2      HIS  12 -11.225  -5.231   6.317
  100    HE1  HIS  12           HE1      HIS  12 -14.648  -4.755   3.857
  101    H    ASP  13           H        ASP  13  -8.682  -0.547   4.431
  102    HA   ASP  13           HA       ASP  13  -9.008  -0.784   7.258
  103    HB2  ASP  13          2HB       ASP  13  -7.029  -2.314   6.705
  104    HB3  ASP  13          3HB       ASP  13  -6.146  -0.840   6.315
  105    H    CYS  14           H        CYS  14  -9.470   1.077   5.012
  106    HA   CYS  14           HA       CYS  14  -7.965   3.394   6.039
  107    HB2  CYS  14          2HB       CYS  14  -8.116   4.415   3.863
  108    HB3  CYS  14          3HB       CYS  14  -7.461   2.792   3.665
  109    H    HIS  15           H        HIS  15 -11.069   2.072   5.179
  110    HA   HIS  15           HA       HIS  15 -12.510   3.759   6.876
  111    HB2  HIS  15          2HB       HIS  15 -11.911   4.940   4.330
  112    HB3  HIS  15          3HB       HIS  15 -13.647   4.663   4.445
  113    HD1  HIS  15           HD1      HIS  15 -14.053   5.285   7.438
  114    HD2  HIS  15           HD2      HIS  15 -11.787   7.612   4.847
  115    HE1  HIS  15           HE1      HIS  15 -13.992   7.577   8.472
  116    H    MET  16           H        MET  16 -14.992   3.811   5.936
  117    HA   MET  16           HA       MET  16 -15.539   1.026   5.140
  118    HB2  MET  16          2HB       MET  16 -17.718   1.347   6.400
  119    HB3  MET  16          3HB       MET  16 -16.263   1.248   7.384
  120    HG2  MET  16          2HG       MET  16 -16.242   3.633   7.681
  121    HG3  MET  16          3HG       MET  16 -17.599   3.818   6.572
  122    HE1  MET  16          1HE       MET  16 -20.631   2.760   8.277
  123    HE2  MET  16          2HE       MET  16 -20.098   4.432   8.104
  124    HE3  MET  16          3HE       MET  16 -19.755   3.262   6.830
  125    H    ASN  17           H        ASN  17 -15.275   2.242   2.973
  126    HA   ASN  17           HA       ASN  17 -17.946   2.723   1.965
  127    HB2  ASN  17          2HB       ASN  17 -15.914   4.873   2.245
  128    HB3  ASN  17          3HB       ASN  17 -16.821   4.828   0.736
  129   HD21  ASN  17          1HD2      ASN  17 -16.983   5.295   4.169
  130   HD22  ASN  17          2HD2      ASN  17 -18.573   5.971   4.208
  131    H    DAL  18           H        DAL  18 -14.472   2.728   1.248
  132    HA   DAL  18           HA       DAL  18 -14.847   0.865  -0.957
  133    HB1  DAL  18          2HB       DAL  18 -12.858   0.459   0.231
  134    HB2  DAL  18          3HB       DAL  18 -12.275   1.381  -1.175
  135    H    PHE  19           H        PHE  19 -13.301   1.498  -2.933
  136    HA   PHE  19           HA       PHE  19 -14.656   3.506  -4.349
  137    HB2  PHE  19          2HB       PHE  19 -13.354   5.007  -2.864
  138    HB3  PHE  19          3HB       PHE  19 -11.867   4.298  -3.485
  139    HD1  PHE  19           HD1      PHE  19 -10.757   5.560  -5.032
  140    HD2  PHE  19           HD2      PHE  19 -15.006   5.755  -4.892
  141    HE1  PHE  19           HE1      PHE  19 -10.738   7.204  -6.862
  142    HE2  PHE  19           HE2      PHE  19 -14.994   7.398  -6.723
  143    HZ   PHE  19           HZ       PHE  19 -12.858   8.125  -7.711
  144    H    GLN  20           H        GLN  20 -13.757   3.851  -6.521
  145    HA   GLN  20           HA       GLN  20 -12.729   3.175  -8.444
  146    HB2  GLN  20          2HB       GLN  20 -10.964   1.348  -6.830
  147    HB3  GLN  20          3HB       GLN  20 -10.630   2.093  -8.388
  148    HG2  GLN  20          2HG       GLN  20 -10.722   4.319  -7.162
  149    HG3  GLN  20          3HG       GLN  20 -10.654   3.372  -5.677
  150   HE21  GLN  20          1HE2      GLN  20  -8.767   2.347  -5.111
  151   HE22  GLN  20          2HE2      GLN  20  -7.263   2.637  -5.909
  152    H    PHE  21           H        PHE  21 -12.527   0.284  -6.367
  153    HA   PHE  21           HA       PHE  21 -14.069  -1.172  -8.402
  154    HB2  PHE  21          2HB       PHE  21 -13.134  -3.185  -6.979
  155    HB3  PHE  21          3HB       PHE  21 -12.120  -2.385  -8.176
  156    HD1  PHE  21           HD1      PHE  21 -12.672  -3.016  -4.643
  157    HD2  PHE  21           HD2      PHE  21 -10.338  -0.861  -7.475
  158    HE1  PHE  21           HE1      PHE  21 -11.000  -2.543  -2.900
  159    HE2  PHE  21           HE2      PHE  21  -8.663  -0.385  -5.738
  160    HZ   PHE  21           HZ       PHE  21  -8.992  -1.227  -3.447
  161    H    VAL  22           H        VAL  22 -13.921  -0.351  -5.003
  162    HA   VAL  22           HA       VAL  22 -15.302  -0.898  -3.235
  163    HB   VAL  22           HB       VAL  22 -17.620  -0.149  -3.606
  164   HG11  VAL  22          1HG1      VAL  22 -15.450   1.573  -4.790
  165   HG12  VAL  22          2HG1      VAL  22 -17.063   2.162  -4.383
  166   HG13  VAL  22          3HG1      VAL  22 -16.004   1.541  -3.116
  167   HG21  VAL  22          1HG2      VAL  22 -17.738  -1.122  -5.937
  168   HG22  VAL  22          2HG2      VAL  22 -18.448   0.479  -5.732
  169   HG23  VAL  22          3HG2      VAL  22 -16.861   0.308  -6.482
  170    H    PHE  23           H        PHE  23 -14.581  -3.253  -4.455
  171    HA   PHE  23           HA       PHE  23 -16.831  -4.922  -3.789
  172    HB2  PHE  23          2HB       PHE  23 -16.596  -4.202  -6.453
  173    HB3  PHE  23          3HB       PHE  23 -15.807  -5.774  -6.386
  174    HD1  PHE  23           HD1      PHE  23 -17.066  -7.758  -5.641
  175    HD2  PHE  23           HD2      PHE  23 -18.947  -3.982  -6.206
  176    HE1  PHE  23           HE1      PHE  23 -19.264  -8.863  -5.681
  177    HE2  PHE  23           HE2      PHE  23 -21.148  -5.080  -6.246
  178    HZ   PHE  23           HZ       PHE  23 -21.308  -7.524  -5.983
  179    H    DBU  24           H        DBU  24 -15.946  -6.384  -2.501
  180    HB   DBU  24           HB       DBU  24 -13.270  -9.313  -2.542
  181    HG1  DBU  24          1HG       DBU  24 -14.297  -9.580  -4.943
  182    HG2  DBU  24          2HG       DBU  24 -15.714  -8.742  -4.297
  183    HG3  DBU  24          3HG       DBU  24 -15.237 -10.317  -3.640
  184    H    CYS  25           H        CYS  25 -12.248  -5.842  -2.804
  185    HA   CYS  25           HA       CYS  25 -11.031  -6.422  -0.261
  186    HB2  CYS  25          2HB       CYS  25  -9.655  -5.949  -2.243
  187    HB3  CYS  25          3HB       CYS  25 -10.338  -4.329  -2.333
  188    H    CYS  26           H        CYS  26 -13.345  -4.201  -1.433
  189    HA   CYS  26           HA       CYS  26 -12.928  -2.380   0.828
  190    HB2  CYS  26          2HB       CYS  26 -14.480  -2.148  -1.743
  191    HB3  CYS  26          3HB       CYS  26 -14.741  -1.032  -0.406
  192    H    SER  27           H        SER  27 -15.756  -3.764  -0.854
  193    HA   SER  27           HA       SER  27 -17.205  -3.779   1.683
  194    HB2  SER  27          2HB       SER  27 -19.181  -4.334   0.241
  195    HB3  SER  27          3HB       SER  27 -18.408  -2.802  -0.168
  196    HG   SER  27           HG       SER  27 -18.369  -5.245  -1.559
  Start of MODEL    4
    1    H1   LYS   1           H        LYS   1   2.050  -1.052  -1.787
    2    HA   LYS   1           HA       LYS   1   3.817   0.524  -0.933
    3    HB2  LYS   1          2HB       LYS   1   5.481  -0.010  -2.617
    4    HB3  LYS   1          3HB       LYS   1   4.446  -1.406  -2.341
    5    HG2  LYS   1          2HG       LYS   1   3.264  -1.022  -4.379
    6    HG3  LYS   1          3HG       LYS   1   4.076   0.527  -4.617
    7    HD2  LYS   1          2HD       LYS   1   5.405  -0.721  -5.962
    8    HD3  LYS   1          3HD       LYS   1   6.221  -1.074  -4.436
    9    HE2  LYS   1          2HE       LYS   1   4.505  -3.027  -4.289
   10    HE3  LYS   1          3HE       LYS   1   4.344  -2.776  -6.026
   11    HZ1  LYS   1          1HZ       LYS   1   6.501  -3.421  -6.410
   12    HZ2  LYS   1          2HZ       LYS   1   6.085  -4.442  -5.127
   13    HZ3  LYS   1          3HZ       LYS   1   7.021  -3.062  -4.841
   14    H    LYS   2           H        LYS   2   1.950   1.435  -3.721
   15    HA   LYS   2           HA       LYS   2   3.107   4.136  -3.556
   16    HB2  LYS   2          2HB       LYS   2   3.612   2.564  -5.659
   17    HB3  LYS   2          3HB       LYS   2   2.053   3.195  -6.174
   18    HG2  LYS   2          2HG       LYS   2   3.483   4.715  -7.114
   19    HG3  LYS   2          3HG       LYS   2   3.115   5.504  -5.578
   20    HD2  LYS   2          2HD       LYS   2   5.181   4.642  -4.622
   21    HD3  LYS   2          3HD       LYS   2   5.540   3.791  -6.126
   22    HE2  LYS   2          2HE       LYS   2   5.007   6.577  -6.630
   23    HE3  LYS   2          3HE       LYS   2   6.279   6.397  -5.423
   24    HZ1  LYS   2          1HZ       LYS   2   7.174   4.660  -7.125
   25    HZ2  LYS   2          2HZ       LYS   2   7.479   6.309  -7.349
   26    HZ3  LYS   2          3HZ       LYS   2   6.252   5.549  -8.231
   27    H    LYS   3           H        LYS   3   0.684   2.875  -2.383
   28    HA   LYS   3           HA       LYS   3  -1.297   4.727  -3.531
   29    HB2  LYS   3          2HB       LYS   3  -1.738   1.914  -2.524
   30    HB3  LYS   3          3HB       LYS   3  -3.045   3.052  -2.825
   31    HG2  LYS   3          2HG       LYS   3  -1.963   3.223  -5.194
   32    HG3  LYS   3          3HG       LYS   3  -1.254   1.666  -4.761
   33    HD2  LYS   3          2HD       LYS   3  -3.208   0.987  -5.762
   34    HD3  LYS   3          3HD       LYS   3  -3.720   1.087  -4.076
   35    HE2  LYS   3          2HE       LYS   3  -5.421   2.198  -5.189
   36    HE3  LYS   3          3HE       LYS   3  -4.375   3.518  -4.671
   37    HZ1  LYS   3          1HZ       LYS   3  -3.308   3.229  -6.969
   38    HZ2  LYS   3          2HZ       LYS   3  -4.808   4.005  -6.875
   39    HZ3  LYS   3          3HZ       LYS   3  -4.721   2.390  -7.373
   40    H    SER   4           H        SER   4  -0.060   5.969  -1.738
   41    HA   SER   4           HA       SER   4  -1.221   5.411   0.900
   42    HB2  SER   4          2HB       SER   4   1.339   6.372   0.023
   43    HB3  SER   4          3HB       SER   4   0.588   7.584   1.059
   44    HG   SER   4           HG       SER   4   1.296   4.927   1.650
   45    H    GLY   5           H        GLY   5  -2.335   6.996   2.061
   46    HA2  GLY   5          2HA       GLY   5  -2.803   9.559   1.854
   47    HA3  GLY   5          3HA       GLY   5  -3.570   9.042   0.359
   48    H    VAL   6           H        VAL   6  -5.358  10.206   1.630
   49    HA   VAL   6           HA       VAL   6  -7.027   8.137   2.812
   50    HB   VAL   6           HB       VAL   6  -7.709   9.752   4.663
   51   HG11  VAL   6          1HG1      VAL   6  -6.331   8.675   6.128
   52   HG12  VAL   6          2HG1      VAL   6  -6.068   7.673   4.700
   53   HG13  VAL   6          3HG1      VAL   6  -4.896   8.919   5.131
   54   HG21  VAL   6          1HG2      VAL   6  -5.020  10.931   4.649
   55   HG22  VAL   6          2HG2      VAL   6  -6.090  11.512   3.374
   56   HG23  VAL   6          3HG2      VAL   6  -6.575  11.653   5.063
   57    H    ILE   7           H        ILE   7  -6.823  10.076   0.438
   58    HA   ILE   7           HA       ILE   7  -9.117  11.782   0.701
   59    HB   ILE   7           HB       ILE   7  -7.189  11.143  -1.470
   60   HG12  ILE   7          2HG1      ILE   7  -7.777  13.822  -1.542
   61   HG13  ILE   7          3HG1      ILE   7  -8.051  13.437   0.153
   62   HG21  ILE   7          1HG2      ILE   7  -9.077  10.863  -2.796
   63   HG22  ILE   7          2HG2      ILE   7  -9.998  12.078  -1.912
   64   HG23  ILE   7          3HG2      ILE   7  -8.699  12.574  -2.996
   65   HD11  ILE   7          1HD1      ILE   7  -5.844  12.860   0.508
   66   HD12  ILE   7          2HD1      ILE   7  -5.538  12.569  -1.205
   67   HD13  ILE   7          3HD1      ILE   7  -5.718  14.219  -0.608
   68    HA   PRO   8           HA       PRO   8 -11.108   8.550  -2.291
   69    HB2  PRO   8          2HB       PRO   8  -9.764   6.225  -2.683
   70    HB3  PRO   8          3HB       PRO   8  -9.524   7.655  -3.693
   71    HG2  PRO   8          2HG       PRO   8  -7.874   6.654  -1.405
   72    HG3  PRO   8          3HG       PRO   8  -7.343   7.300  -2.969
   73    HD2  PRO   8          2HD       PRO   8  -7.337   8.782  -0.702
   74    HD3  PRO   8          3HD       PRO   8  -7.631   9.489  -2.304
   75    H    DBB   9           H        DBB   9  -9.092   6.849   0.113
   76    HA   DBB   9           HA       DBB   9 -11.554   5.930   1.479
   77    HB2  DBB   9          3HB       DBB   9  -8.713   6.461   2.289
   78    HG1  DBB   9          1HG       DBB   9 -11.279   6.664   3.902
   79    HG2  DBB   9          2HG       DBB   9  -9.762   7.571   4.114
   80    HG3  DBB   9          3HG       DBB   9 -10.815   7.914   2.721
   81    H    VAL  10           H        VAL  10  -8.286   4.578   1.013
   82    HA   VAL  10           HA       VAL  10  -9.537   2.084   0.078
   83    HB   VAL  10           HB       VAL  10  -7.433   1.522  -0.970
   84   HG11  VAL  10          1HG1      VAL  10  -8.426   4.302  -1.549
   85   HG12  VAL  10          2HG1      VAL  10  -7.235   3.479  -2.558
   86   HG13  VAL  10          3HG1      VAL  10  -8.852   2.799  -2.367
   87   HG21  VAL  10          1HG2      VAL  10  -6.410   3.542   0.822
   88   HG22  VAL  10          2HG2      VAL  10  -5.548   2.282  -0.061
   89   HG23  VAL  10          3HG2      VAL  10  -5.880   3.831  -0.835
   90    H    DAL  11           H        DAL  11  -8.397   0.062   0.691
   91    HA   DAL  11           HA       DAL  11  -6.615  -0.070   2.921
   92    HB1  DAL  11          2HB       DAL  11  -6.899  -2.422   2.779
   93    HB2  DAL  11          3HB       DAL  11  -8.546  -2.271   2.123
   94    H    HIS  12           H        HIS  12  -7.632  -1.835   4.683
   95    HA   HIS  12           HA       HIS  12 -10.138  -0.721   5.703
   96    HB2  HIS  12          2HB       HIS  12 -10.002  -2.632   7.331
   97    HB3  HIS  12          3HB       HIS  12 -10.111  -3.117   5.641
   98    HD1  HIS  12           HD1      HIS  12  -8.988  -5.386   6.070
   99    HD2  HIS  12           HD2      HIS  12  -6.638  -2.126   7.126
  100    HE1  HIS  12           HE1      HIS  12  -6.684  -6.316   6.462
  101    H    ASP  13           H        ASP  13  -7.878   0.953   5.822
  102    HA   ASP  13           HA       ASP  13  -7.303   0.995   8.712
  103    HB2  ASP  13          2HB       ASP  13  -5.319   2.414   8.063
  104    HB3  ASP  13          3HB       ASP  13  -5.248   0.739   7.524
  105    H    CYS  14           H        CYS  14  -8.283   2.889   5.920
  106    HA   CYS  14           HA       CYS  14  -8.798   5.202   7.651
  107    HB2  CYS  14          2HB       CYS  14  -8.954   6.516   5.632
  108    HB3  CYS  14          3HB       CYS  14  -7.486   5.548   5.558
  109    H    HIS  15           H        HIS  15 -10.360   2.801   5.663
  110    HA   HIS  15           HA       HIS  15 -12.863   3.142   6.902
  111    HB2  HIS  15          2HB       HIS  15 -12.359   4.805   4.554
  112    HB3  HIS  15          3HB       HIS  15 -13.780   3.780   4.370
  113    HD1  HIS  15           HD1      HIS  15 -15.371   3.921   6.719
  114    HD2  HIS  15           HD2      HIS  15 -13.007   7.170   5.662
  115    HE1  HIS  15           HE1      HIS  15 -16.367   5.896   7.917
  116    H    MET  16           H        MET  16 -14.643   2.063   5.313
  117    HA   MET  16           HA       MET  16 -13.478  -0.114   3.777
  118    HB2  MET  16          2HB       MET  16 -14.868  -1.792   5.062
  119    HB3  MET  16          3HB       MET  16 -13.466  -1.154   5.910
  120    HG2  MET  16          2HG       MET  16 -15.993   0.295   6.333
  121    HG3  MET  16          3HG       MET  16 -15.917  -1.339   6.986
  122    HE1  MET  16          1HE       MET  16 -14.817  -2.020   9.031
  123    HE2  MET  16          2HE       MET  16 -14.354  -0.843  10.260
  124    HE3  MET  16          3HE       MET  16 -15.984  -0.818   9.584
  125    H    ASN  17           H        ASN  17 -14.575   1.146   2.122
  126    HA   ASN  17           HA       ASN  17 -17.239   0.149   1.659
  127    HB2  ASN  17          2HB       ASN  17 -16.821   2.842   2.670
  128    HB3  ASN  17          3HB       ASN  17 -17.624   2.855   1.103
  129   HD21  ASN  17          1HD2      ASN  17 -19.488   1.332   0.903
  130   HD22  ASN  17          2HD2      ASN  17 -20.537   1.186   2.268
  131    H    DAL  18           H        DAL  18 -14.645   2.319   0.630
  132    HA   DAL  18           HA       DAL  18 -14.868   1.260  -2.116
  133    HB1  DAL  18          2HB       DAL  18 -12.760   3.253  -1.472
  134    HB2  DAL  18          3HB       DAL  18 -12.692   1.758  -0.509
  135    H    PHE  19           H        PHE  19 -14.403   2.938  -3.858
  136    HA   PHE  19           HA       PHE  19 -16.496   4.752  -4.006
  137    HB2  PHE  19          2HB       PHE  19 -15.623   6.237  -2.454
  138    HB3  PHE  19          3HB       PHE  19 -13.957   5.885  -2.901
  139    HD1  PHE  19           HD1      PHE  19 -16.915   7.002  -4.877
  140    HD2  PHE  19           HD2      PHE  19 -12.937   7.818  -3.603
  141    HE1  PHE  19           HE1      PHE  19 -16.877   9.013  -6.294
  142    HE2  PHE  19           HE2      PHE  19 -12.893   9.830  -5.017
  143    HZ   PHE  19           HZ       PHE  19 -14.864  10.431  -6.365
  144    H    GLN  20           H        GLN  20 -13.089   5.290  -4.879
  145    HA   GLN  20           HA       GLN  20 -13.487   6.073  -7.480
  146    HB2  GLN  20          2HB       GLN  20 -11.117   4.805  -7.736
  147    HB3  GLN  20          3HB       GLN  20 -11.303   6.382  -6.980
  148    HG2  GLN  20          2HG       GLN  20 -11.170   5.488  -4.821
  149    HG3  GLN  20          3HG       GLN  20 -11.450   3.845  -5.393
  150   HE21  GLN  20          1HE2      GLN  20  -9.321   4.640  -3.728
  151   HE22  GLN  20          2HE2      GLN  20  -7.845   4.382  -4.588
  152    H    PHE  21           H        PHE  21 -12.105   2.869  -6.821
  153    HA   PHE  21           HA       PHE  21 -13.432   1.856  -9.215
  154    HB2  PHE  21          2HB       PHE  21 -11.971  -0.178  -8.756
  155    HB3  PHE  21          3HB       PHE  21 -11.126   1.312  -9.159
  156    HD1  PHE  21           HD1      PHE  21 -11.951  -1.044  -6.471
  157    HD2  PHE  21           HD2      PHE  21  -9.736   2.423  -7.562
  158    HE1  PHE  21           HE1      PHE  21 -10.634  -1.239  -4.402
  159    HE2  PHE  21           HE2      PHE  21  -8.415   2.233  -5.495
  160    HZ   PHE  21           HZ       PHE  21  -8.862   0.400  -3.912
  161    H    VAL  22           H        VAL  22 -13.382   1.416  -5.740
  162    HA   VAL  22           HA       VAL  22 -14.694   0.221  -4.311
  163    HB   VAL  22           HB       VAL  22 -16.719   0.314  -6.550
  164   HG11  VAL  22          1HG1      VAL  22 -16.772  -0.801  -3.918
  165   HG12  VAL  22          2HG1      VAL  22 -17.909   0.546  -4.007
  166   HG13  VAL  22          3HG1      VAL  22 -18.036  -0.794  -5.148
  167   HG21  VAL  22          1HG2      VAL  22 -15.521   2.485  -5.407
  168   HG22  VAL  22          2HG2      VAL  22 -17.133   2.477  -6.124
  169   HG23  VAL  22          3HG2      VAL  22 -16.941   2.269  -4.383
  170    H    PHE  23           H        PHE  23 -13.069  -1.530  -4.838
  171    HA   PHE  23           HA       PHE  23 -14.376  -4.000  -5.050
  172    HB2  PHE  23          2HB       PHE  23 -14.030  -2.905  -7.549
  173    HB3  PHE  23          3HB       PHE  23 -12.605  -3.926  -7.387
  174    HD1  PHE  23           HD1      PHE  23 -16.192  -4.256  -6.402
  175    HD2  PHE  23           HD2      PHE  23 -12.862  -5.931  -8.456
  176    HE1  PHE  23           HE1      PHE  23 -17.546  -6.228  -6.982
  177    HE2  PHE  23           HE2      PHE  23 -14.210  -7.905  -9.040
  178    HZ   PHE  23           HZ       PHE  23 -16.555  -8.054  -8.304
  179    H    DBU  24           H        DBU  24 -13.204  -5.129  -3.659
  180    HB   DBU  24           HB       DBU  24  -9.552  -6.628  -3.223
  181    HG1  DBU  24          1HG       DBU  24  -9.689  -7.299  -5.597
  182    HG2  DBU  24          2HG       DBU  24 -11.288  -6.554  -5.731
  183    HG3  DBU  24          3HG       DBU  24 -11.083  -8.065  -4.825
  184    H    CYS  25           H        CYS  25  -9.283  -3.745  -2.966
  185    HA   CYS  25           HA       CYS  25  -9.278  -3.924  -0.095
  186    HB2  CYS  25          2HB       CYS  25  -7.226  -3.626  -1.562
  187    HB3  CYS  25          3HB       CYS  25  -7.739  -1.957  -1.790
  188    H    CYS  26           H        CYS  26 -11.197  -2.291  -2.204
  189    HA   CYS  26           HA       CYS  26 -11.350   0.240  -0.841
  190    HB2  CYS  26          2HB       CYS  26 -12.250  -0.817  -3.315
  191    HB3  CYS  26          3HB       CYS  26 -13.675  -0.273  -2.434
  192    H    SER  27           H        SER  27 -13.692  -2.413  -1.306
  193    HA   SER  27           HA       SER  27 -15.301  -1.455   0.895
  194    HB2  SER  27          2HB       SER  27 -16.630  -2.332  -0.812
  195    HB3  SER  27          3HB       SER  27 -15.544  -3.694  -1.092
  196    HG   SER  27           HG       SER  27 -16.498  -4.782   0.452
  Start of MODEL    5
    1    H1   LYS   1           H        LYS   1   7.958   1.886  -1.177
    2    HA   LYS   1           HA       LYS   1   6.046   1.148   0.448
    3    HB2  LYS   1          2HB       LYS   1   7.386   3.449   1.883
    4    HB3  LYS   1          3HB       LYS   1   5.863   2.701   2.347
    5    HG2  LYS   1          2HG       LYS   1   8.103   0.831   2.088
    6    HG3  LYS   1          3HG       LYS   1   8.292   2.042   3.358
    7    HD2  LYS   1          2HD       LYS   1   5.934   1.404   4.089
    8    HD3  LYS   1          3HD       LYS   1   6.106   0.003   3.029
    9    HE2  LYS   1          2HE       LYS   1   7.412  -1.061   4.494
   10    HE3  LYS   1          3HE       LYS   1   8.408   0.368   4.762
   11    HZ1  LYS   1          1HZ       LYS   1   6.421  -0.729   6.429
   12    HZ2  LYS   1          2HZ       LYS   1   5.957   0.835   5.985
   13    HZ3  LYS   1          3HZ       LYS   1   7.452   0.577   6.733
   14    H    LYS   2           H        LYS   2   4.433   1.773  -0.817
   15    HA   LYS   2           HA       LYS   2   4.478   4.395  -2.078
   16    HB2  LYS   2          2HB       LYS   2   3.832   2.140  -3.198
   17    HB3  LYS   2          3HB       LYS   2   2.281   2.373  -2.402
   18    HG2  LYS   2          2HG       LYS   2   2.003   4.507  -3.549
   19    HG3  LYS   2          3HG       LYS   2   3.566   4.288  -4.340
   20    HD2  LYS   2          2HD       LYS   2   1.907   1.965  -4.720
   21    HD3  LYS   2          3HD       LYS   2   1.059   3.422  -5.244
   22    HE2  LYS   2          2HE       LYS   2   2.418   3.719  -7.004
   23    HE3  LYS   2          3HE       LYS   2   3.861   3.309  -6.078
   24    HZ1  LYS   2          1HZ       LYS   2   1.952   1.425  -7.346
   25    HZ2  LYS   2          2HZ       LYS   2   3.178   0.943  -6.286
   26    HZ3  LYS   2          3HZ       LYS   2   3.574   1.674  -7.759
   27    H    LYS   3           H        LYS   3   4.068   5.773  -0.335
   28    HA   LYS   3           HA       LYS   3   1.536   5.441   1.092
   29    HB2  LYS   3          2HB       LYS   3   3.984   7.119   1.539
   30    HB3  LYS   3          3HB       LYS   3   2.468   7.537   2.326
   31    HG2  LYS   3          2HG       LYS   3   2.405   5.296   3.341
   32    HG3  LYS   3          3HG       LYS   3   3.964   4.937   2.597
   33    HD2  LYS   3          2HD       LYS   3   5.112   6.253   4.049
   34    HD3  LYS   3          3HD       LYS   3   3.795   7.419   4.200
   35    HE2  LYS   3          2HE       LYS   3   2.640   6.065   5.746
   36    HE3  LYS   3          3HE       LYS   3   3.632   4.656   5.372
   37    HZ1  LYS   3          1HZ       LYS   3   4.266   6.985   7.037
   38    HZ2  LYS   3          2HZ       LYS   3   5.530   6.204   6.230
   39    HZ3  LYS   3          3HZ       LYS   3   4.566   5.345   7.322
   40    H    SER   4           H        SER   4   1.714   6.244  -1.751
   41    HA   SER   4           HA       SER   4   0.386   8.867  -1.533
   42    HB2  SER   4          2HB       SER   4   2.394   9.243  -2.752
   43    HB3  SER   4          3HB       SER   4   2.172   7.780  -3.712
   44    HG   SER   4           HG       SER   4   1.228   9.050  -5.085
   45    H    GLY   5           H        GLY   5  -1.686   8.032  -1.326
   46    HA2  GLY   5          2HA       GLY   5  -3.359   7.785  -3.375
   47    HA3  GLY   5          3HA       GLY   5  -2.665   6.171  -3.346
   48    H    VAL   6           H        VAL   6  -4.149   8.537  -1.134
   49    HA   VAL   6           HA       VAL   6  -5.904   6.439  -0.127
   50    HB   VAL   6           HB       VAL   6  -5.422   7.206   2.252
   51   HG11  VAL   6          1HG1      VAL   6  -3.436   5.714   2.451
   52   HG12  VAL   6          2HG1      VAL   6  -4.765   5.019   1.520
   53   HG13  VAL   6          3HG1      VAL   6  -3.351   5.670   0.690
   54   HG21  VAL   6          1HG2      VAL   6  -2.705   7.971   1.308
   55   HG22  VAL   6          2HG2      VAL   6  -3.996   9.170   1.224
   56   HG23  VAL   6          3HG2      VAL   6  -3.566   8.444   2.772
   57    H    ILE   7           H        ILE   7  -5.875   9.173  -1.570
   58    HA   ILE   7           HA       ILE   7  -7.365  10.900   0.174
   59    HB   ILE   7           HB       ILE   7  -6.475  11.008  -2.661
   60   HG12  ILE   7          2HG1      ILE   7  -6.046  13.442  -1.747
   61   HG13  ILE   7          3HG1      ILE   7  -6.269  12.671  -0.180
   62   HG21  ILE   7          1HG2      ILE   7  -8.671  11.606  -3.125
   63   HG22  ILE   7          2HG2      ILE   7  -8.878  12.428  -1.580
   64   HG23  ILE   7          3HG2      ILE   7  -7.887  13.159  -2.841
   65   HD11  ILE   7          1HD1      ILE   7  -4.465  11.104  -0.711
   66   HD12  ILE   7          2HD1      ILE   7  -4.230  11.917  -2.259
   67   HD13  ILE   7          3HD1      ILE   7  -3.926  12.783  -0.753
   68    HA   PRO   8           HA       PRO   8 -11.038   9.619  -2.694
   69    HB2  PRO   8          2HB       PRO   8 -10.628   7.535  -4.386
   70    HB3  PRO   8          3HB       PRO   8 -10.299   9.214  -4.832
   71    HG2  PRO   8          2HG       PRO   8  -8.399   7.091  -3.913
   72    HG3  PRO   8          3HG       PRO   8  -8.208   8.274  -5.220
   73    HD2  PRO   8          2HD       PRO   8  -7.070   8.597  -2.784
   74    HD3  PRO   8          3HD       PRO   8  -7.619   9.967  -3.771
   75    H    DBB   9           H        DBB   9  -8.931   6.851  -1.932
   76    HA   DBB   9           HA       DBB   9 -11.160   5.666  -0.359
   77    HB2  DBB   9          3HB       DBB   9  -8.137   5.325  -0.128
   78    HG1  DBB   9          1HG       DBB   9 -10.202   6.607   1.718
   79    HG2  DBB   9          2HG       DBB   9  -8.459   6.454   2.048
   80    HG3  DBB   9          3HG       DBB   9  -9.024   7.489   0.714
   81    H    VAL  10           H        VAL  10  -8.215   4.580  -2.065
   82    HA   VAL  10           HA       VAL  10  -9.740   2.255  -3.025
   83    HB   VAL  10           HB       VAL  10  -8.396   2.441  -5.175
   84   HG11  VAL  10          1HG1      VAL  10 -10.202   3.360  -6.149
   85   HG12  VAL  10          2HG1      VAL  10 -10.866   3.348  -4.514
   86   HG13  VAL  10          3HG1      VAL  10 -10.125   4.815  -5.156
   87   HG21  VAL  10          1HG2      VAL  10  -7.185   4.542  -3.807
   88   HG22  VAL  10          2HG2      VAL  10  -6.980   4.126  -5.508
   89   HG23  VAL  10          3HG2      VAL  10  -8.189   5.318  -5.032
   90    H    DAL  11           H        DAL  11  -8.807   0.632  -1.932
   91    HA   DAL  11           HA       DAL  11  -5.932   0.584  -1.389
   92    HB1  DAL  11          2HB       DAL  11  -5.675  -0.397  -3.499
   93    HB2  DAL  11          3HB       DAL  11  -5.950  -1.830  -2.481
   94    H    HIS  12           H        HIS  12  -6.428   0.410   0.762
   95    HA   HIS  12           HA       HIS  12  -8.409  -1.214   1.885
   96    HB2  HIS  12          2HB       HIS  12  -6.858  -3.004   2.832
   97    HB3  HIS  12          3HB       HIS  12  -7.290  -3.157   1.132
   98    HD1  HIS  12           HD1      HIS  12  -5.413  -2.632  -0.614
   99    HD2  HIS  12           HD2      HIS  12  -4.163  -2.607   3.348
  100    HE1  HIS  12           HE1      HIS  12  -2.901  -2.698  -0.701
  101    H    ASP  13           H        ASP  13  -8.669  -0.657   3.968
  102    HA   ASP  13           HA       ASP  13  -8.318   0.318   5.994
  103    HB2  ASP  13          2HB       ASP  13  -5.349   0.103   5.590
  104    HB3  ASP  13          3HB       ASP  13  -6.275  -0.028   7.083
  105    H    CYS  14           H        CYS  14  -8.187   1.825   3.388
  106    HA   CYS  14           HA       CYS  14  -6.477   4.085   4.007
  107    HB2  CYS  14          2HB       CYS  14  -7.097   4.949   1.867
  108    HB3  CYS  14          3HB       CYS  14  -6.836   3.219   1.665
  109    H    HIS  15           H        HIS  15  -9.816   3.171   4.284
  110    HA   HIS  15           HA       HIS  15 -10.362   5.512   5.878
  111    HB2  HIS  15          2HB       HIS  15 -11.087   5.480   3.107
  112    HB3  HIS  15          3HB       HIS  15 -12.555   5.433   4.080
  113    HD1  HIS  15           HD1      HIS  15 -13.297   7.585   5.125
  114    HD2  HIS  15           HD2      HIS  15  -9.414   7.783   3.659
  115    HE1  HIS  15           HE1      HIS  15 -12.629  10.002   5.316
  116    H    MET  16           H        MET  16 -12.191   3.043   4.057
  117    HA   MET  16           HA       MET  16 -13.139   1.937   6.591
  118    HB2  MET  16          2HB       MET  16 -14.763   3.434   4.684
  119    HB3  MET  16          3HB       MET  16 -15.407   1.831   5.011
  120    HG2  MET  16          2HG       MET  16 -15.065   2.470   7.495
  121    HG3  MET  16          3HG       MET  16 -15.002   4.120   6.881
  122    HE1  MET  16          1HE       MET  16 -18.421   4.960   5.687
  123    HE2  MET  16          2HE       MET  16 -16.686   5.274   5.641
  124    HE3  MET  16          3HE       MET  16 -17.409   4.146   4.493
  125    H    ASN  17           H        ASN  17 -14.139   1.475   3.211
  126    HA   ASN  17           HA       ASN  17 -12.628  -0.810   2.676
  127    HB2  ASN  17          2HB       ASN  17 -14.671  -2.442   2.833
  128    HB3  ASN  17          3HB       ASN  17 -13.694  -2.123   4.263
  129   HD21  ASN  17          1HD2      ASN  17 -16.646  -1.189   2.587
  130   HD22  ASN  17          2HD2      ASN  17 -17.515  -0.716   4.003
  131    H    DAL  18           H        DAL  18 -12.934   1.038   0.977
  132    HA   DAL  18           HA       DAL  18 -14.543  -0.079  -1.175
  133    HB1  DAL  18          2HB       DAL  18 -13.123   2.587  -1.313
  134    HB2  DAL  18          3HB       DAL  18 -12.173   1.082  -1.265
  135    H    PHE  19           H        PHE  19 -15.708   1.682  -2.565
  136    HA   PHE  19           HA       PHE  19 -17.948   2.544  -1.105
  137    HB2  PHE  19          2HB       PHE  19 -17.711   4.889  -1.000
  138    HB3  PHE  19          3HB       PHE  19 -16.180   4.257  -0.402
  139    HD1  PHE  19           HD1      PHE  19 -14.593   3.678  -2.657
  140    HD2  PHE  19           HD2      PHE  19 -17.401   6.838  -2.158
  141    HE1  PHE  19           HE1      PHE  19 -13.386   5.012  -4.336
  142    HE2  PHE  19           HE2      PHE  19 -16.199   8.176  -3.836
  143    HZ   PHE  19           HZ       PHE  19 -14.189   7.263  -4.928
  144    H    GLN  20           H        GLN  20 -19.627   2.802  -2.463
  145    HA   GLN  20           HA       GLN  20 -20.832   3.036  -4.382
  146    HB2  GLN  20          2HB       GLN  20 -18.350   4.107  -5.714
  147    HB3  GLN  20          3HB       GLN  20 -20.028   4.409  -6.147
  148    HG2  GLN  20          2HG       GLN  20 -19.709   5.257  -3.481
  149    HG3  GLN  20          3HG       GLN  20 -18.328   5.872  -4.388
  150   HE21  GLN  20          1HE2      GLN  20 -19.161   6.593  -6.727
  151   HE22  GLN  20          2HE2      GLN  20 -20.458   7.731  -6.661
  152    H    PHE  21           H        PHE  21 -17.592   2.389  -5.709
  153    HA   PHE  21           HA       PHE  21 -18.701   0.077  -7.119
  154    HB2  PHE  21          2HB       PHE  21 -16.372   0.175  -8.255
  155    HB3  PHE  21          3HB       PHE  21 -17.554   1.418  -8.649
  156    HD1  PHE  21           HD1      PHE  21 -17.146   3.692  -8.175
  157    HD2  PHE  21           HD2      PHE  21 -14.523   0.694  -6.675
  158    HE1  PHE  21           HE1      PHE  21 -15.534   5.433  -7.523
  159    HE2  PHE  21           HE2      PHE  21 -12.907   2.430  -6.021
  160    HZ   PHE  21           HZ       PHE  21 -13.412   4.804  -6.443
  161    H    VAL  22           H        VAL  22 -18.517  -0.470  -4.500
  162    HA   VAL  22           HA       VAL  22 -15.997  -1.581  -3.734
  163    HB   VAL  22           HB       VAL  22 -17.241  -2.582  -1.849
  164   HG11  VAL  22          1HG1      VAL  22 -18.234  -0.297  -1.043
  165   HG12  VAL  22          2HG1      VAL  22 -16.496  -0.478  -1.290
  166   HG13  VAL  22          3HG1      VAL  22 -17.484   0.315  -2.517
  167   HG21  VAL  22          1HG2      VAL  22 -19.361  -3.150  -2.335
  168   HG22  VAL  22          2HG2      VAL  22 -19.727  -1.491  -1.860
  169   HG23  VAL  22          3HG2      VAL  22 -19.523  -1.896  -3.564
  170    H    PHE  23           H        PHE  23 -15.158  -3.464  -4.318
  171    HA   PHE  23           HA       PHE  23 -16.568  -5.883  -4.477
  172    HB2  PHE  23          2HB       PHE  23 -17.241  -4.480  -6.639
  173    HB3  PHE  23          3HB       PHE  23 -15.721  -5.139  -7.235
  174    HD1  PHE  23           HD1      PHE  23 -18.687  -6.383  -5.336
  175    HD2  PHE  23           HD2      PHE  23 -15.908  -7.038  -8.492
  176    HE1  PHE  23           HE1      PHE  23 -19.828  -8.489  -5.899
  177    HE2  PHE  23           HE2      PHE  23 -17.044  -9.144  -9.060
  178    HZ   PHE  23           HZ       PHE  23 -19.007  -9.872  -7.764
  179    H    DBU  24           H        DBU  24 -13.983  -4.437  -6.466
  180    HB   DBU  24           HB       DBU  24 -10.779  -6.657  -6.895
  181    HG1  DBU  24          1HG       DBU  24 -12.744  -6.424  -8.906
  182    HG2  DBU  24          2HG       DBU  24 -13.550  -7.427  -7.693
  183    HG3  DBU  24          3HG       DBU  24 -12.008  -7.948  -8.395
  184    H    CYS  25           H        CYS  25 -10.921  -3.540  -6.201
  185    HA   CYS  25           HA       CYS  25  -9.241  -4.111  -3.935
  186    HB2  CYS  25          2HB       CYS  25  -8.309  -3.035  -5.927
  187    HB3  CYS  25          3HB       CYS  25  -9.396  -1.667  -5.712
  188    H    CYS  26           H        CYS  26 -12.047  -2.167  -4.591
  189    HA   CYS  26           HA       CYS  26 -11.802  -0.558  -2.216
  190    HB2  CYS  26          2HB       CYS  26 -13.456  -0.593  -4.573
  191    HB3  CYS  26          3HB       CYS  26 -14.467  -0.484  -3.136
  192    H    SER  27           H        SER  27 -11.636  -2.122  -0.564
  193    HA   SER  27           HA       SER  27 -14.176  -2.966   0.484
  194    HB2  SER  27          2HB       SER  27 -12.936  -5.384   0.732
  195    HB3  SER  27          3HB       SER  27 -14.123  -4.999  -0.515
  196    HG   SER  27           HG       SER  27 -12.081  -5.911  -1.269
  Start of MODEL    6
    1    H1   LYS   1           H        LYS   1   2.138   6.590  -7.051
    2    HA   LYS   1           HA       LYS   1   0.195   7.151  -5.703
    3    HB2  LYS   1          2HB       LYS   1  -1.069   7.200  -8.436
    4    HB3  LYS   1          3HB       LYS   1  -2.033   7.069  -6.971
    5    HG2  LYS   1          2HG       LYS   1  -0.564   9.191  -6.306
    6    HG3  LYS   1          3HG       LYS   1  -0.533   9.371  -8.061
    7    HD2  LYS   1          2HD       LYS   1  -2.491  10.434  -7.779
    8    HD3  LYS   1          3HD       LYS   1  -3.164   8.812  -7.606
    9    HE2  LYS   1          2HE       LYS   1  -2.246   9.347  -5.080
   10    HE3  LYS   1          3HE       LYS   1  -2.812  10.927  -5.619
   11    HZ1  LYS   1          1HZ       LYS   1  -4.812   9.304  -6.398
   12    HZ2  LYS   1          2HZ       LYS   1  -4.796  10.183  -4.953
   13    HZ3  LYS   1          3HZ       LYS   1  -4.321   8.559  -4.961
   14    H    LYS   2           H        LYS   2   1.670   4.821  -6.224
   15    HA   LYS   2           HA       LYS   2  -0.349   2.722  -6.553
   16    HB2  LYS   2          2HB       LYS   2   1.641   1.192  -6.594
   17    HB3  LYS   2          3HB       LYS   2   1.591   2.365  -7.903
   18    HG2  LYS   2          2HG       LYS   2   3.546   3.227  -7.311
   19    HG3  LYS   2          3HG       LYS   2   3.038   3.398  -5.629
   20    HD2  LYS   2          2HD       LYS   2   4.830   1.929  -5.480
   21    HD3  LYS   2          3HD       LYS   2   3.438   0.844  -5.499
   22    HE2  LYS   2          2HE       LYS   2   4.816   1.599  -8.047
   23    HE3  LYS   2          3HE       LYS   2   5.478   0.330  -7.017
   24    HZ1  LYS   2          1HZ       LYS   2   3.070   0.329  -8.648
   25    HZ2  LYS   2          2HZ       LYS   2   2.948  -0.442  -7.148
   26    HZ3  LYS   2          3HZ       LYS   2   4.118  -0.942  -8.263
   27    H    LYS   3           H        LYS   3   1.728   4.206  -4.199
   28    HA   LYS   3           HA       LYS   3   0.473   2.587  -2.113
   29    HB2  LYS   3          2HB       LYS   3   2.627   2.240  -0.974
   30    HB3  LYS   3          3HB       LYS   3   2.588   1.462  -2.551
   31    HG2  LYS   3          2HG       LYS   3   4.201   2.793  -3.401
   32    HG3  LYS   3          3HG       LYS   3   3.680   4.202  -2.474
   33    HD2  LYS   3          2HD       LYS   3   5.013   3.701  -0.713
   34    HD3  LYS   3          3HD       LYS   3   4.802   1.960  -0.913
   35    HE2  LYS   3          2HE       LYS   3   6.216   2.959  -3.169
   36    HE3  LYS   3          3HE       LYS   3   6.987   3.587  -1.714
   37    HZ1  LYS   3          1HZ       LYS   3   7.281   1.069  -2.797
   38    HZ2  LYS   3          2HZ       LYS   3   6.348   0.842  -1.405
   39    HZ3  LYS   3          3HZ       LYS   3   7.854   1.605  -1.298
   40    H    SER   4           H        SER   4   0.858   3.514   0.078
   41    HA   SER   4           HA       SER   4   0.729   5.247   1.547
   42    HB2  SER   4          2HB       SER   4   2.323   6.969  -0.328
   43    HB3  SER   4          3HB       SER   4   2.361   6.916   1.434
   44    HG   SER   4           HG       SER   4   3.823   5.416   1.329
   45    H    GLY   5           H        GLY   5  -1.398   5.791   1.497
   46    HA2  GLY   5          2HA       GLY   5  -2.246   8.280   0.732
   47    HA3  GLY   5          3HA       GLY   5  -2.566   7.267  -0.668
   48    H    VAL   6           H        VAL   6  -4.264   8.684   1.461
   49    HA   VAL   6           HA       VAL   6  -6.130   6.457   1.799
   50    HB   VAL   6           HB       VAL   6  -6.653   7.320   4.131
   51   HG11  VAL   6          1HG1      VAL   6  -5.638   5.215   3.999
   52   HG12  VAL   6          2HG1      VAL   6  -4.105   5.891   3.445
   53   HG13  VAL   6          3HG1      VAL   6  -4.620   6.122   5.117
   54   HG21  VAL   6          1HG2      VAL   6  -4.828   8.467   5.305
   55   HG22  VAL   6          2HG2      VAL   6  -3.939   8.594   3.788
   56   HG23  VAL   6          3HG2      VAL   6  -5.472   9.444   3.986
   57    H    ILE   7           H        ILE   7  -5.900   8.953   0.152
   58    HA   ILE   7           HA       ILE   7  -7.919  10.744   1.125
   59    HB   ILE   7           HB       ILE   7  -7.055  10.625  -1.744
   60   HG12  ILE   7          2HG1      ILE   7  -5.321  12.416  -0.596
   61   HG13  ILE   7          3HG1      ILE   7  -5.374  11.136   0.611
   62   HG21  ILE   7          1HG2      ILE   7  -7.558  13.012   0.012
   63   HG22  ILE   7          2HG2      ILE   7  -7.506  12.942  -1.748
   64   HG23  ILE   7          3HG2      ILE   7  -8.842  12.193  -0.876
   65   HD11  ILE   7          1HD1      ILE   7  -5.050  10.214  -2.152
   66   HD12  ILE   7          2HD1      ILE   7  -3.714  11.172  -1.514
   67   HD13  ILE   7          3HD1      ILE   7  -4.229   9.708  -0.676
   68    HA   PRO   8           HA       PRO   8 -10.507   8.607  -2.376
   69    HB2  PRO   8          2HB       PRO   8  -9.580   6.219  -3.276
   70    HB3  PRO   8          3HB       PRO   8  -9.130   7.763  -4.010
   71    HG2  PRO   8          2HG       PRO   8  -7.614   6.084  -2.049
   72    HG3  PRO   8          3HG       PRO   8  -7.022   6.931  -3.491
   73    HD2  PRO   8          2HD       PRO   8  -6.712   7.921  -0.990
   74    HD3  PRO   8          3HD       PRO   8  -6.923   8.965  -2.410
   75    H    DBB   9           H        DBB   9  -8.919   6.895   0.183
   76    HA   DBB   9           HA       DBB   9 -11.478   5.692   1.003
   77    HB2  DBB   9          3HB       DBB   9  -8.793   6.161   2.330
   78    HG1  DBB   9          1HG       DBB   9 -11.506   6.729   3.508
   79    HG2  DBB   9          2HG       DBB   9  -9.980   7.626   3.693
   80    HG3  DBB   9          3HG       DBB   9 -10.919   7.769   2.188
   81    H    VAL  10           H        VAL  10  -8.115   4.526   1.155
   82    HA   VAL  10           HA       VAL  10  -8.941   2.071  -0.219
   83    HB   VAL  10           HB       VAL  10  -6.993   3.093  -1.186
   84   HG11  VAL  10          1HG1      VAL  10  -6.237   4.437   0.665
   85   HG12  VAL  10          2HG1      VAL  10  -5.817   2.994   1.589
   86   HG13  VAL  10          3HG1      VAL  10  -4.916   3.400   0.128
   87   HG21  VAL  10          1HG2      VAL  10  -5.784   1.190  -1.421
   88   HG22  VAL  10          2HG2      VAL  10  -5.661   0.921   0.318
   89   HG23  VAL  10          3HG2      VAL  10  -7.146   0.502  -0.536
   90    H    DAL  11           H        DAL  11  -8.689   0.048   0.676
   91    HA   DAL  11           HA       DAL  11  -7.698  -0.159   3.460
   92    HB1  DAL  11          2HB       DAL  11  -7.049  -2.278   2.923
   93    HB2  DAL  11          3HB       DAL  11  -8.568  -2.621   2.062
   94    H    HIS  12           H        HIS  12  -9.185   0.011   4.986
   95    HA   HIS  12           HA       HIS  12 -11.949  -0.015   4.577
   96    HB2  HIS  12          2HB       HIS  12 -12.459  -2.167   5.836
   97    HB3  HIS  12          3HB       HIS  12 -11.894  -2.351   4.178
   98    HD1  HIS  12           HD1      HIS  12 -11.080  -3.230   7.660
   99    HD2  HIS  12           HD2      HIS  12  -9.194  -3.300   3.959
  100    HE1  HIS  12           HE1      HIS  12  -9.068  -4.709   7.959
  101    H    ASP  13           H        ASP  13  -9.919   1.435   6.000
  102    HA   ASP  13           HA       ASP  13 -11.169   1.429   8.643
  103    HB2  ASP  13          2HB       ASP  13  -8.877   0.139   8.504
  104    HB3  ASP  13          3HB       ASP  13  -8.199   1.765   8.515
  105    H    CYS  14           H        CYS  14 -10.825   3.102   6.037
  106    HA   CYS  14           HA       CYS  14 -10.287   5.643   7.429
  107    HB2  CYS  14          2HB       CYS  14  -9.446   6.544   5.289
  108    HB3  CYS  14          3HB       CYS  14  -8.481   5.185   5.858
  109    H    HIS  15           H        HIS  15 -12.174   3.929   5.013
  110    HA   HIS  15           HA       HIS  15 -14.148   6.116   5.098
  111    HB2  HIS  15          2HB       HIS  15 -12.790   5.339   2.862
  112    HB3  HIS  15          3HB       HIS  15 -14.235   4.339   2.750
  113    HD1  HIS  15           HD1      HIS  15 -16.215   5.421   1.722
  114    HD2  HIS  15           HD2      HIS  15 -13.469   8.207   3.121
  115    HE1  HIS  15           HE1      HIS  15 -17.099   7.660   0.995
  116    H    MET  16           H        MET  16 -13.547   2.677   5.138
  117    HA   MET  16           HA       MET  16 -14.811   0.913   5.819
  118    HB2  MET  16          2HB       MET  16 -16.806   2.926   6.852
  119    HB3  MET  16          3HB       MET  16 -16.564   1.274   7.403
  120    HG2  MET  16          2HG       MET  16 -14.517   3.460   7.671
  121    HG3  MET  16          3HG       MET  16 -15.666   3.013   8.929
  122    HE1  MET  16          1HE       MET  16 -15.392   1.629  10.544
  123    HE2  MET  16          2HE       MET  16 -15.456  -0.014   9.906
  124    HE3  MET  16          3HE       MET  16 -14.073   0.505  10.870
  125    H    ASN  17           H        ASN  17 -15.040   1.215   3.256
  126    HA   ASN  17           HA       ASN  17 -17.531   0.155   2.568
  127    HB2  ASN  17          2HB       ASN  17 -17.662   2.934   2.848
  128    HB3  ASN  17          3HB       ASN  17 -17.561   2.663   1.111
  129   HD21  ASN  17          1HD2      ASN  17 -19.694   3.261   3.367
  130   HD22  ASN  17          2HD2      ASN  17 -21.046   2.333   2.823
  131    H    DAL  18           H        DAL  18 -14.689   1.939   1.544
  132    HA   DAL  18           HA       DAL  18 -14.390   0.100  -0.755
  133    HB1  DAL  18          2HB       DAL  18 -12.352   0.070   0.338
  134    HB2  DAL  18          3HB       DAL  18 -12.067   1.468  -0.726
  135    H    PHE  19           H        PHE  19 -15.936   1.135  -2.093
  136    HA   PHE  19           HA       PHE  19 -16.618   2.564  -3.724
  137    HB2  PHE  19          2HB       PHE  19 -16.843   4.135  -1.806
  138    HB3  PHE  19          3HB       PHE  19 -15.197   4.684  -2.102
  139    HD1  PHE  19           HD1      PHE  19 -14.996   6.663  -3.227
  140    HD2  PHE  19           HD2      PHE  19 -18.324   4.149  -4.074
  141    HE1  PHE  19           HE1      PHE  19 -15.839   8.327  -4.832
  142    HE2  PHE  19           HE2      PHE  19 -19.172   5.808  -5.681
  143    HZ   PHE  19           HZ       PHE  19 -17.929   7.900  -6.062
  144    H    GLN  20           H        GLN  20 -15.843   3.937  -5.521
  145    HA   GLN  20           HA       GLN  20 -14.388   4.409  -7.206
  146    HB2  GLN  20          2HB       GLN  20 -12.624   4.485  -4.805
  147    HB3  GLN  20          3HB       GLN  20 -11.859   4.455  -6.388
  148    HG2  GLN  20          2HG       GLN  20 -13.808   6.500  -5.357
  149    HG3  GLN  20          3HG       GLN  20 -12.087   6.725  -5.662
  150   HE21  GLN  20          1HE2      GLN  20 -11.418   6.234  -7.959
  151   HE22  GLN  20          2HE2      GLN  20 -12.459   6.817  -9.208
  152    H    PHE  21           H        PHE  21 -12.131   2.393  -5.380
  153    HA   PHE  21           HA       PHE  21 -12.102   0.516  -7.637
  154    HB2  PHE  21          2HB       PHE  21  -9.952  -0.272  -6.368
  155    HB3  PHE  21          3HB       PHE  21  -9.908   1.200  -7.333
  156    HD1  PHE  21           HD1      PHE  21  -9.310   3.237  -6.373
  157    HD2  PHE  21           HD2      PHE  21 -10.325  -0.051  -3.868
  158    HE1  PHE  21           HE1      PHE  21  -8.552   4.506  -4.406
  159    HE2  PHE  21           HE2      PHE  21  -9.569   1.212  -1.897
  160    HZ   PHE  21           HZ       PHE  21  -8.681   3.494  -2.164
  161    H    VAL  22           H        VAL  22 -14.286   0.116  -6.188
  162    HA   VAL  22           HA       VAL  22 -14.023  -1.568  -3.935
  163    HB   VAL  22           HB       VAL  22 -16.328  -1.444  -5.884
  164   HG11  VAL  22          1HG1      VAL  22 -16.414  -3.397  -4.440
  165   HG12  VAL  22          2HG1      VAL  22 -16.194  -2.375  -3.018
  166   HG13  VAL  22          3HG1      VAL  22 -17.663  -2.238  -3.984
  167   HG21  VAL  22          1HG2      VAL  22 -15.313   0.562  -4.180
  168   HG22  VAL  22          2HG2      VAL  22 -16.820   0.574  -5.096
  169   HG23  VAL  22          3HG2      VAL  22 -16.799  -0.038  -3.443
  170    H    PHE  23           H        PHE  23 -12.494  -3.163  -4.425
  171    HA   PHE  23           HA       PHE  23 -13.509  -5.586  -5.405
  172    HB2  PHE  23          2HB       PHE  23 -13.062  -4.117  -7.546
  173    HB3  PHE  23          3HB       PHE  23 -11.390  -4.599  -7.272
  174    HD1  PHE  23           HD1      PHE  23 -14.668  -6.370  -7.038
  175    HD2  PHE  23           HD2      PHE  23 -10.760  -6.256  -8.719
  176    HE1  PHE  23           HE1      PHE  23 -15.102  -8.505  -8.181
  177    HE2  PHE  23           HE2      PHE  23 -11.187  -8.391  -9.865
  178    HZ   PHE  23           HZ       PHE  23 -13.361  -9.518  -9.597
  179    H    DBU  24           H        DBU  24 -10.303  -4.076  -5.777
  180    HB   DBU  24           HB       DBU  24  -7.180  -6.010  -4.590
  181    HG1  DBU  24          1HG       DBU  24  -7.073  -6.674  -6.869
  182    HG2  DBU  24          2HG       DBU  24  -7.873  -5.131  -7.196
  183    HG3  DBU  24          3HG       DBU  24  -8.837  -6.599  -6.961
  184    H    CYS  25           H        CYS  25  -8.537  -3.064  -3.370
  185    HA   CYS  25           HA       CYS  25  -8.227  -4.322  -0.758
  186    HB2  CYS  25          2HB       CYS  25  -6.577  -2.631  -1.754
  187    HB3  CYS  25          3HB       CYS  25  -7.794  -1.409  -1.398
  188    H    CYS  26           H        CYS  26 -10.865  -4.204  -1.797
  189    HA   CYS  26           HA       CYS  26 -12.126  -2.676   0.342
  190    HB2  CYS  26          2HB       CYS  26 -12.884  -2.379  -2.572
  191    HB3  CYS  26          3HB       CYS  26 -13.833  -1.761  -1.223
  192    H    SER  27           H        SER  27 -12.034  -5.152   0.790
  193    HA   SER  27           HA       SER  27 -14.309  -6.524  -0.451
  194    HB2  SER  27          2HB       SER  27 -13.273  -8.437   1.096
  195    HB3  SER  27          3HB       SER  27 -12.611  -8.069  -0.497
  196    HG   SER  27           HG       SER  27 -11.669  -6.830   1.867
  Start of MODEL    7
    1    H1   LYS   1           H        LYS   1  -3.242   4.528  -1.680
    2    HA   LYS   1           HA       LYS   1  -2.953   2.750  -3.071
    3    HB2  LYS   1          2HB       LYS   1  -1.665   4.931  -4.685
    4    HB3  LYS   1          3HB       LYS   1  -1.612   3.262  -5.239
    5    HG2  LYS   1          2HG       LYS   1  -4.287   4.002  -4.465
    6    HG3  LYS   1          3HG       LYS   1  -3.638   5.119  -5.668
    7    HD2  LYS   1          2HD       LYS   1  -3.157   3.311  -7.172
    8    HD3  LYS   1          3HD       LYS   1  -3.581   2.116  -5.944
    9    HE2  LYS   1          2HE       LYS   1  -5.895   3.134  -5.940
   10    HE3  LYS   1          3HE       LYS   1  -5.407   4.035  -7.374
   11    HZ1  LYS   1          1HZ       LYS   1  -6.611   1.827  -7.699
   12    HZ2  LYS   1          2HZ       LYS   1  -5.151   1.095  -7.258
   13    HZ3  LYS   1          3HZ       LYS   1  -5.217   2.099  -8.619
   14    H    LYS   2           H        LYS   2   0.093   4.611  -3.093
   15    HA   LYS   2           HA       LYS   2   1.505   2.118  -2.408
   16    HB2  LYS   2          2HB       LYS   2   2.003   4.099  -4.425
   17    HB3  LYS   2          3HB       LYS   2   3.358   4.058  -3.305
   18    HG2  LYS   2          2HG       LYS   2   3.131   1.456  -3.668
   19    HG3  LYS   2          3HG       LYS   2   2.375   1.974  -5.176
   20    HD2  LYS   2          2HD       LYS   2   4.316   3.063  -5.907
   21    HD3  LYS   2          3HD       LYS   2   5.021   3.080  -4.289
   22    HE2  LYS   2          2HE       LYS   2   6.185   1.419  -5.510
   23    HE3  LYS   2          3HE       LYS   2   5.093   0.564  -4.422
   24    HZ1  LYS   2          1HZ       LYS   2   5.183  -0.266  -6.777
   25    HZ2  LYS   2          2HZ       LYS   2   4.394   1.157  -7.238
   26    HZ3  LYS   2          3HZ       LYS   2   3.636   0.074  -6.183
   27    H    LYS   3           H        LYS   3   1.534   5.635  -1.893
   28    HA   LYS   3           HA       LYS   3   2.293   5.207   0.879
   29    HB2  LYS   3          2HB       LYS   3   4.097   6.331  -1.174
   30    HB3  LYS   3          3HB       LYS   3   3.999   7.242   0.327
   31    HG2  LYS   3          2HG       LYS   3   4.975   5.589   1.560
   32    HG3  LYS   3          3HG       LYS   3   4.407   4.304   0.491
   33    HD2  LYS   3          2HD       LYS   3   6.364   4.304  -0.562
   34    HD3  LYS   3          3HD       LYS   3   6.143   6.002  -0.993
   35    HE2  LYS   3          2HE       LYS   3   6.963   6.484   1.403
   36    HE3  LYS   3          3HE       LYS   3   7.549   4.821   1.379
   37    HZ1  LYS   3          1HZ       LYS   3   9.126   6.686   0.656
   38    HZ2  LYS   3          2HZ       LYS   3   8.248   6.694  -0.790
   39    HZ3  LYS   3          3HZ       LYS   3   9.054   5.290  -0.298
   40    H    SER   4           H        SER   4   1.157   6.524   2.141
   41    HA   SER   4           HA       SER   4  -0.221   8.199   2.827
   42    HB2  SER   4          2HB       SER   4   2.008   9.414   1.719
   43    HB3  SER   4          3HB       SER   4   0.664  10.234   0.925
   44    HG   SER   4           HG       SER   4   1.565  10.520   3.435
   45    H    GLY   5           H        GLY   5  -1.704  10.091   1.836
   46    HA2  GLY   5          2HA       GLY   5  -3.162  10.724   0.057
   47    HA3  GLY   5          3HA       GLY   5  -2.893   9.152  -0.681
   48    H    VAL   6           H        VAL   6  -4.942  11.014   1.257
   49    HA   VAL   6           HA       VAL   6  -6.628   8.660   1.749
   50    HB   VAL   6           HB       VAL   6  -6.128  10.854   3.766
   51   HG11  VAL   6          1HG1      VAL   6  -7.470   8.803   5.023
   52   HG12  VAL   6          2HG1      VAL   6  -8.175  10.330   4.489
   53   HG13  VAL   6          3HG1      VAL   6  -8.267   8.906   3.453
   54   HG21  VAL   6          1HG2      VAL   6  -5.410   7.925   3.869
   55   HG22  VAL   6          2HG2      VAL   6  -4.276   9.244   3.579
   56   HG23  VAL   6          3HG2      VAL   6  -5.107   9.122   5.129
   57    H    ILE   7           H        ILE   7  -8.256   9.045   0.368
   58    HA   ILE   7           HA       ILE   7  -9.967  11.315   0.854
   59    HB   ILE   7           HB       ILE   7  -9.590  11.226  -1.998
   60   HG12  ILE   7          2HG1      ILE   7  -7.151  12.045  -0.406
   61   HG13  ILE   7          3HG1      ILE   7  -7.276  10.554  -1.333
   62   HG21  ILE   7          1HG2      ILE   7  -9.761  13.512  -1.821
   63   HG22  ILE   7          2HG2      ILE   7 -10.563  12.996  -0.338
   64   HG23  ILE   7          3HG2      ILE   7  -8.896  13.567  -0.285
   65   HD11  ILE   7          1HD1      ILE   7  -7.421  13.347  -2.443
   66   HD12  ILE   7          2HD1      ILE   7  -6.052  12.240  -2.563
   67   HD13  ILE   7          3HD1      ILE   7  -7.569  11.859  -3.378
   68    HA   PRO   8           HA       PRO   8 -12.102   8.350  -2.296
   69    HB2  PRO   8          2HB       PRO   8 -10.632   6.296  -3.290
   70    HB3  PRO   8          3HB       PRO   8 -10.698   7.888  -4.055
   71    HG2  PRO   8          2HG       PRO   8  -8.603   6.739  -2.251
   72    HG3  PRO   8          3HG       PRO   8  -8.403   7.686  -3.737
   73    HD2  PRO   8          2HD       PRO   8  -8.157   8.775  -1.270
   74    HD3  PRO   8          3HD       PRO   8  -8.778   9.689  -2.659
   75    H    DBB   9           H        DBB   9  -9.675   6.899  -0.183
   76    HA   DBB   9           HA       DBB   9 -11.717   5.429   1.279
   77    HB2  DBB   9          3HB       DBB   9  -8.695   5.682   1.528
   78    HG1  DBB   9          1HG       DBB   9  -9.884   7.640   2.289
   79    HG2  DBB   9          2HG       DBB   9 -11.098   6.647   3.130
   80    HG3  DBB   9          3HG       DBB   9  -9.428   6.716   3.741
   81    H    VAL  10           H        VAL  10  -8.620   4.426  -0.189
   82    HA   VAL  10           HA       VAL  10  -9.960   2.052  -1.267
   83    HB   VAL  10           HB       VAL  10  -8.098   1.781  -2.745
   84   HG11  VAL  10          1HG1      VAL  10  -8.865   4.693  -2.561
   85   HG12  VAL  10          2HG1      VAL  10  -8.121   3.919  -3.963
   86   HG13  VAL  10          3HG1      VAL  10  -9.734   3.434  -3.437
   87   HG21  VAL  10          1HG2      VAL  10  -6.084   2.246  -1.889
   88   HG22  VAL  10          2HG2      VAL  10  -6.383   3.898  -2.431
   89   HG23  VAL  10          3HG2      VAL  10  -6.735   3.439  -0.765
   90    H    DAL  11           H        DAL  11  -7.979   0.257  -1.509
   91    HA   DAL  11           HA       DAL  11  -6.201  -0.191   0.603
   92    HB1  DAL  11          2HB       DAL  11  -5.813  -1.939  -0.779
   93    HB2  DAL  11          3HB       DAL  11  -7.255  -2.723  -0.092
   94    H    HIS  12           H        HIS  12  -6.369  -1.410   2.510
   95    HA   HIS  12           HA       HIS  12  -9.057  -1.385   3.680
   96    HB2  HIS  12          2HB       HIS  12  -8.512  -3.578   4.805
   97    HB3  HIS  12          3HB       HIS  12  -8.789  -3.677   3.069
   98    HD1  HIS  12           HD1      HIS  12  -6.283  -4.362   5.669
   99    HD2  HIS  12           HD2      HIS  12  -6.387  -4.061   1.527
  100    HE1  HIS  12           HE1      HIS  12  -4.146  -5.415   4.865
  101    H    ASP  13           H        ASP  13  -7.537   0.646   4.249
  102    HA   ASP  13           HA       ASP  13  -7.125   0.522   7.024
  103    HB2  ASP  13          2HB       ASP  13  -5.057  -0.718   5.944
  104    HB3  ASP  13          3HB       ASP  13  -4.489   0.928   5.674
  105    H    CYS  14           H        CYS  14  -8.612   2.279   5.970
  106    HA   CYS  14           HA       CYS  14  -7.264   4.786   6.351
  107    HB2  CYS  14          2HB       CYS  14  -7.747   5.762   4.193
  108    HB3  CYS  14          3HB       CYS  14  -6.792   4.302   3.953
  109    H    HIS  15           H        HIS  15 -10.164   3.012   5.478
  110    HA   HIS  15           HA       HIS  15 -11.794   4.281   7.352
  111    HB2  HIS  15          2HB       HIS  15 -11.502   5.732   4.852
  112    HB3  HIS  15          3HB       HIS  15 -13.180   5.291   5.155
  113    HD1  HIS  15           HD1      HIS  15 -13.744   5.831   7.936
  114    HD2  HIS  15           HD2      HIS  15 -11.027   8.184   5.851
  115    HE1  HIS  15           HE1      HIS  15 -13.609   7.994   9.213
  116    H    MET  16           H        MET  16 -11.498   2.557   4.332
  117    HA   MET  16           HA       MET  16 -12.554   0.699   3.546
  118    HB2  MET  16          2HB       MET  16 -12.503   0.163   6.098
  119    HB3  MET  16          3HB       MET  16 -14.221   0.534   6.034
  120    HG2  MET  16          2HG       MET  16 -14.614  -1.222   4.467
  121    HG3  MET  16          3HG       MET  16 -12.885  -1.507   4.278
  122    HE1  MET  16          1HE       MET  16 -15.982  -2.449   5.599
  123    HE2  MET  16          2HE       MET  16 -15.698  -3.579   6.924
  124    HE3  MET  16          3HE       MET  16 -15.827  -1.850   7.251
  125    H    ASN  17           H        ASN  17 -13.498   3.078   2.678
  126    HA   ASN  17           HA       ASN  17 -16.403   3.060   2.931
  127    HB2  ASN  17          2HB       ASN  17 -14.365   5.002   2.006
  128    HB3  ASN  17          3HB       ASN  17 -15.919   5.057   1.178
  129   HD21  ASN  17          1HD2      ASN  17 -16.359   7.091   2.038
  130   HD22  ASN  17          2HD2      ASN  17 -16.822   7.303   3.689
  131    H    DAL  18           H        DAL  18 -13.881   2.429   0.572
  132    HA   DAL  18           HA       DAL  18 -15.926   1.256  -1.240
  133    HB1  DAL  18          2HB       DAL  18 -13.892   0.036  -2.194
  134    HB2  DAL  18          3HB       DAL  18 -12.960   0.697  -0.829
  135    H    PHE  19           H        PHE  19 -16.391   2.470  -2.934
  136    HA   PHE  19           HA       PHE  19 -16.232   3.956  -4.649
  137    HB2  PHE  19          2HB       PHE  19 -15.524   5.508  -2.829
  138    HB3  PHE  19          3HB       PHE  19 -13.850   5.066  -3.152
  139    HD1  PHE  19           HD1      PHE  19 -16.655   5.793  -5.488
  140    HD2  PHE  19           HD2      PHE  19 -12.831   6.946  -4.018
  141    HE1  PHE  19           HE1      PHE  19 -16.528   7.549  -7.206
  142    HE2  PHE  19           HE2      PHE  19 -12.698   8.705  -5.733
  143    HZ   PHE  19           HZ       PHE  19 -14.548   9.009  -7.330
  144    H    GLN  20           H        GLN  20 -15.094   4.327  -6.608
  145    HA   GLN  20           HA       GLN  20 -13.667   3.825  -8.310
  146    HB2  GLN  20          2HB       GLN  20 -11.759   2.864  -6.175
  147    HB3  GLN  20          3HB       GLN  20 -11.357   3.312  -7.828
  148    HG2  GLN  20          2HG       GLN  20 -12.698   5.486  -6.534
  149    HG3  GLN  20          3HG       GLN  20 -11.344   4.939  -5.547
  150   HE21  GLN  20          1HE2      GLN  20 -12.272   6.853  -8.112
  151   HE22  GLN  20          2HE2      GLN  20 -10.715   7.160  -8.795
  152    H    PHE  21           H        PHE  21 -11.699   1.434  -7.418
  153    HA   PHE  21           HA       PHE  21 -12.715  -0.550  -8.980
  154    HB2  PHE  21          2HB       PHE  21 -11.453  -2.151  -7.418
  155    HB3  PHE  21          3HB       PHE  21 -10.525  -0.859  -8.173
  156    HD1  PHE  21           HD1      PHE  21  -9.646   0.970  -6.870
  157    HD2  PHE  21           HD2      PHE  21 -11.928  -2.125  -5.044
  158    HE1  PHE  21           HE1      PHE  21  -8.880   1.717  -4.654
  159    HE2  PHE  21           HE2      PHE  21 -11.166  -1.382  -2.826
  160    HZ   PHE  21           HZ       PHE  21  -9.641   0.541  -2.629
  161    H    VAL  22           H        VAL  22 -13.367  -0.070  -5.525
  162    HA   VAL  22           HA       VAL  22 -14.856  -1.098  -4.110
  163    HB   VAL  22           HB       VAL  22 -16.661  -0.724  -6.504
  164   HG11  VAL  22          1HG1      VAL  22 -17.863  -0.300  -3.921
  165   HG12  VAL  22          2HG1      VAL  22 -18.356  -1.382  -5.224
  166   HG13  VAL  22          3HG1      VAL  22 -17.171  -1.918  -4.032
  167   HG21  VAL  22          1HG2      VAL  22 -15.349   1.174  -4.738
  168   HG22  VAL  22          2HG2      VAL  22 -16.203   1.448  -6.256
  169   HG23  VAL  22          3HG2      VAL  22 -17.103   1.355  -4.742
  170    H    PHE  23           H        PHE  23 -13.481  -3.122  -4.569
  171    HA   PHE  23           HA       PHE  23 -15.118  -5.359  -4.593
  172    HB2  PHE  23          2HB       PHE  23 -14.787  -4.411  -7.194
  173    HB3  PHE  23          3HB       PHE  23 -13.653  -5.752  -7.071
  174    HD1  PHE  23           HD1      PHE  23 -14.610  -7.953  -6.064
  175    HD2  PHE  23           HD2      PHE  23 -16.990  -4.833  -7.713
  176    HE1  PHE  23           HE1      PHE  23 -16.454  -9.546  -6.406
  177    HE2  PHE  23           HE2      PHE  23 -18.839  -6.420  -8.056
  178    HZ   PHE  23           HZ       PHE  23 -18.573  -8.780  -7.402
  179    H    DBU  24           H        DBU  24 -13.970  -6.542  -3.225
  180    HB   DBU  24           HB       DBU  24 -10.764  -8.728  -2.829
  181    HG1  DBU  24          1HG       DBU  24 -11.868  -9.742  -4.943
  182    HG2  DBU  24          2HG       DBU  24 -13.353  -8.909  -4.462
  183    HG3  DBU  24          3HG       DBU  24 -12.687 -10.199  -3.444
  184    H    CYS  25           H        CYS  25 -10.673  -5.030  -3.837
  185    HA   CYS  25           HA       CYS  25  -8.933  -4.956  -1.548
  186    HB2  CYS  25          2HB       CYS  25  -8.228  -4.310  -3.868
  187    HB3  CYS  25          3HB       CYS  25  -9.249  -2.883  -3.725
  188    H    CYS  26           H        CYS  26 -12.054  -4.024  -1.976
  189    HA   CYS  26           HA       CYS  26 -11.991  -1.493  -0.608
  190    HB2  CYS  26          2HB       CYS  26 -13.748  -2.064  -2.264
  191    HB3  CYS  26          3HB       CYS  26 -14.341  -3.313  -1.174
  192    H    SER  27           H        SER  27 -13.205  -4.740   0.227
  193    HA   SER  27           HA       SER  27 -12.776  -4.060   3.061
  194    HB2  SER  27          2HB       SER  27 -14.788  -5.059   3.702
  195    HB3  SER  27          3HB       SER  27 -15.228  -4.245   2.201
  196    HG   SER  27           HG       SER  27 -15.692  -6.683   2.669
  Start of MODEL    8
    1    H1   LYS   1           H        LYS   1   3.934   2.765  -4.981
    2    HA   LYS   1           HA       LYS   1   2.264   4.296  -5.587
    3    HB2  LYS   1          2HB       LYS   1   0.519   1.856  -5.964
    4    HB3  LYS   1          3HB       LYS   1   0.033   3.517  -6.276
    5    HG2  LYS   1          2HG       LYS   1   2.263   3.340  -7.803
    6    HG3  LYS   1          3HG       LYS   1   1.654   1.686  -7.894
    7    HD2  LYS   1          2HD       LYS   1  -0.574   2.625  -8.526
    8    HD3  LYS   1          3HD       LYS   1   0.179   4.219  -8.604
    9    HE2  LYS   1          2HE       LYS   1   1.235   1.885 -10.171
   10    HE3  LYS   1          3HE       LYS   1  -0.063   2.907 -10.788
   11    HZ1  LYS   1          1HZ       LYS   1   1.688   4.031 -11.629
   12    HZ2  LYS   1          2HZ       LYS   1   2.766   3.507 -10.435
   13    HZ3  LYS   1          3HZ       LYS   1   1.683   4.764 -10.104
   14    H    LYS   2           H        LYS   2   3.103   3.546  -3.052
   15    HA   LYS   2           HA       LYS   2   0.656   3.315  -1.457
   16    HB2  LYS   2          2HB       LYS   2   3.226   2.245  -1.160
   17    HB3  LYS   2          3HB       LYS   2   3.104   3.486   0.081
   18    HG2  LYS   2          2HG       LYS   2   2.265   1.731   1.243
   19    HG3  LYS   2          3HG       LYS   2   0.769   2.307   0.503
   20    HD2  LYS   2          2HD       LYS   2   2.384   0.348  -1.031
   21    HD3  LYS   2          3HD       LYS   2   1.531  -0.245   0.396
   22    HE2  LYS   2          2HE       LYS   2  -0.346   1.324  -0.893
   23    HE3  LYS   2          3HE       LYS   2   0.501   0.518  -2.213
   24    HZ1  LYS   2          1HZ       LYS   2  -1.443  -0.722  -1.342
   25    HZ2  LYS   2          2HZ       LYS   2  -0.635  -0.901   0.133
   26    HZ3  LYS   2          3HZ       LYS   2   0.003  -1.597  -1.270
   27    H    LYS   3           H        LYS   3   0.990   4.616   0.754
   28    HA   LYS   3           HA       LYS   3   0.858   6.656   1.752
   29    HB2  LYS   3          2HB       LYS   3   3.023   7.477  -0.188
   30    HB3  LYS   3          3HB       LYS   3   2.650   8.222   1.361
   31    HG2  LYS   3          2HG       LYS   3   3.210   5.937   2.376
   32    HG3  LYS   3          3HG       LYS   3   3.952   5.581   0.814
   33    HD2  LYS   3          2HD       LYS   3   5.250   7.749   1.113
   34    HD3  LYS   3          3HD       LYS   3   4.692   7.729   2.787
   35    HE2  LYS   3          2HE       LYS   3   6.033   5.992   3.354
   36    HE3  LYS   3          3HE       LYS   3   5.892   5.227   1.772
   37    HZ1  LYS   3          1HZ       LYS   3   7.382   6.985   0.904
   38    HZ2  LYS   3          2HZ       LYS   3   8.119   5.986   2.053
   39    HZ3  LYS   3          3HZ       LYS   3   7.609   7.540   2.486
   40    H    SER   4           H        SER   4  -0.732   6.072  -0.675
   41    HA   SER   4           HA       SER   4  -1.646   8.789  -1.146
   42    HB2  SER   4          2HB       SER   4  -0.858   6.964  -3.431
   43    HB3  SER   4          3HB       SER   4  -1.674   8.518  -3.599
   44    HG   SER   4           HG       SER   4   0.976   7.951  -3.001
   45    H    GLY   5           H        GLY   5  -2.904   6.914   0.364
   46    HA2  GLY   5          2HA       GLY   5  -5.298   6.402  -1.245
   47    HA3  GLY   5          3HA       GLY   5  -4.575   5.042  -0.399
   48    H    VAL   6           H        VAL   6  -5.119   8.428   0.557
   49    HA   VAL   6           HA       VAL   6  -6.696   7.420   2.836
   50    HB   VAL   6           HB       VAL   6  -4.489   8.276   3.549
   51   HG11  VAL   6          1HG1      VAL   6  -5.367  11.037   2.809
   52   HG12  VAL   6          2HG1      VAL   6  -3.748  10.436   3.171
   53   HG13  VAL   6          3HG1      VAL   6  -4.518  10.031   1.636
   54   HG21  VAL   6          1HG2      VAL   6  -6.481   8.419   5.011
   55   HG22  VAL   6          2HG2      VAL   6  -5.298   9.686   5.333
   56   HG23  VAL   6          3HG2      VAL   6  -6.762  10.057   4.422
   57    H    ILE   7           H        ILE   7  -6.299   9.873   0.377
   58    HA   ILE   7           HA       ILE   7  -8.509  11.481   1.253
   59    HB   ILE   7           HB       ILE   7  -6.666  11.503  -1.080
   60   HG12  ILE   7          2HG1      ILE   7  -7.124  14.082  -0.282
   61   HG13  ILE   7          3HG1      ILE   7  -7.395  13.195   1.214
   62   HG21  ILE   7          1HG2      ILE   7  -8.597  11.725  -2.354
   63   HG22  ILE   7          2HG2      ILE   7  -9.441  12.626  -1.096
   64   HG23  ILE   7          3HG2      ILE   7  -8.147  13.396  -2.014
   65   HD11  ILE   7          1HD1      ILE   7  -4.950  12.639  -0.392
   66   HD12  ILE   7          2HD1      ILE   7  -5.027  14.084   0.617
   67   HD13  ILE   7          3HD1      ILE   7  -5.218  12.489   1.345
   68    HA   PRO   8           HA       PRO   8 -10.716   9.442  -2.533
   69    HB2  PRO   8          2HB       PRO   8  -9.489   7.315  -3.690
   70    HB3  PRO   8          3HB       PRO   8  -9.208   8.983  -4.204
   71    HG2  PRO   8          2HG       PRO   8  -7.552   7.248  -2.412
   72    HG3  PRO   8          3HG       PRO   8  -7.029   8.338  -3.710
   73    HD2  PRO   8          2HD       PRO   8  -6.902   9.022  -1.093
   74    HD3  PRO   8          3HD       PRO   8  -7.201  10.210  -2.377
   75    H    DBB   9           H        DBB   9  -8.876   7.419  -0.335
   76    HA   DBB   9           HA       DBB   9 -11.293   6.079   0.577
   77    HB2  DBB   9          3HB       DBB   9  -8.389   6.147   1.384
   78    HG1  DBB   9          1HG       DBB   9 -10.635   6.124   3.338
   79    HG2  DBB   9          2HG       DBB   9  -9.218   7.197   3.242
   80    HG3  DBB   9          3HG       DBB   9 -10.630   7.494   2.201
   81    H    VAL  10           H        VAL  10  -8.119   4.700  -0.258
   82    HA   VAL  10           HA       VAL  10  -9.535   2.610  -1.783
   83    HB   VAL  10           HB       VAL  10  -7.253   2.303  -2.920
   84   HG11  VAL  10          1HG1      VAL  10  -7.801   3.872  -4.626
   85   HG12  VAL  10          2HG1      VAL  10  -9.321   3.308  -3.927
   86   HG13  VAL  10          3HG1      VAL  10  -8.681   4.893  -3.489
   87   HG21  VAL  10          1HG2      VAL  10  -5.680   4.021  -2.855
   88   HG22  VAL  10          2HG2      VAL  10  -6.818   5.168  -2.147
   89   HG23  VAL  10          3HG2      VAL  10  -6.170   3.851  -1.169
   90    H    DAL  11           H        DAL  11  -8.531   0.478  -1.776
   91    HA   DAL  11           HA       DAL  11  -6.430  -0.387  -0.143
   92    HB1  DAL  11          2HB       DAL  11  -8.685  -1.591  -1.575
   93    HB2  DAL  11          3HB       DAL  11  -7.057  -2.244  -1.278
   94    H    HIS  12           H        HIS  12  -6.726  -1.804   1.825
   95    HA   HIS  12           HA       HIS  12  -8.786  -0.706   3.618
   96    HB2  HIS  12          2HB       HIS  12  -8.740  -3.205   3.185
   97    HB3  HIS  12          3HB       HIS  12  -7.204  -3.242   4.045
   98    HD1  HIS  12           HD1      HIS  12  -9.262  -4.908   5.303
   99    HD2  HIS  12           HD2      HIS  12  -9.004  -0.839   6.099
  100    HE1  HIS  12           HE1      HIS  12 -10.417  -4.581   7.513
  101    H    ASP  13           H        ASP  13  -6.538   0.840   3.137
  102    HA   ASP  13           HA       ASP  13  -4.926   0.503   5.576
  103    HB2  ASP  13          2HB       ASP  13  -3.526   0.518   3.631
  104    HB3  ASP  13          3HB       ASP  13  -4.337   1.943   2.987
  105    H    CYS  14           H        CYS  14  -7.360   2.370   4.150
  106    HA   CYS  14           HA       CYS  14  -6.884   4.565   6.058
  107    HB2  CYS  14          2HB       CYS  14  -8.359   5.917   4.512
  108    HB3  CYS  14          3HB       CYS  14  -6.792   5.463   3.851
  109    H    HIS  15           H        HIS  15  -9.339   2.490   4.585
  110    HA   HIS  15           HA       HIS  15 -10.805   2.196   6.964
  111    HB2  HIS  15          2HB       HIS  15 -12.811   3.477   6.464
  112    HB3  HIS  15          3HB       HIS  15 -11.418   4.553   6.521
  113    HD1  HIS  15           HD1      HIS  15 -13.503   5.872   5.095
  114    HD2  HIS  15           HD2      HIS  15 -11.195   3.008   3.163
  115    HE1  HIS  15           HE1      HIS  15 -13.766   6.342   2.638
  116    H    MET  16           H        MET  16 -13.324   1.651   6.085
  117    HA   MET  16           HA       MET  16 -12.924  -0.278   3.896
  118    HB2  MET  16          2HB       MET  16 -14.708  -0.801   6.266
  119    HB3  MET  16          3HB       MET  16 -14.157  -1.944   5.048
  120    HG2  MET  16          2HG       MET  16 -12.721  -2.540   6.665
  121    HG3  MET  16          3HG       MET  16 -11.792  -1.180   6.040
  122    HE1  MET  16          1HE       MET  16 -14.360  -1.166   9.860
  123    HE2  MET  16          2HE       MET  16 -15.136  -0.996   8.286
  124    HE3  MET  16          3HE       MET  16 -14.253  -2.472   8.680
  125    H    ASN  17           H        ASN  17 -13.857   2.107   3.196
  126    HA   ASN  17           HA       ASN  17 -16.786   1.935   3.167
  127    HB2  ASN  17          2HB       ASN  17 -15.403   4.078   3.789
  128    HB3  ASN  17          3HB       ASN  17 -15.260   4.256   2.043
  129   HD21  ASN  17          1HD2      ASN  17 -16.736   5.495   1.167
  130   HD22  ASN  17          2HD2      ASN  17 -18.345   5.739   1.748
  131    H    DAL  18           H        DAL  18 -14.027   2.422   0.977
  132    HA   DAL  18           HA       DAL  18 -15.309   0.863  -1.118
  133    HB1  DAL  18          2HB       DAL  18 -13.217   0.796  -2.076
  134    HB2  DAL  18          3HB       DAL  18 -12.880   2.504  -1.705
  135    H    PHE  19           H        PHE  19 -14.853   1.991  -3.427
  136    HA   PHE  19           HA       PHE  19 -16.850   3.913  -3.736
  137    HB2  PHE  19          2HB       PHE  19 -15.518   5.576  -2.730
  138    HB3  PHE  19          3HB       PHE  19 -14.055   5.006  -3.525
  139    HD1  PHE  19           HD1      PHE  19 -17.364   5.672  -5.057
  140    HD2  PHE  19           HD2      PHE  19 -13.311   6.907  -4.651
  141    HE1  PHE  19           HE1      PHE  19 -17.695   7.331  -6.844
  142    HE2  PHE  19           HE2      PHE  19 -13.636   8.569  -6.436
  143    HZ   PHE  19           HZ       PHE  19 -15.829   8.784  -7.534
  144    H    GLN  20           H        GLN  20 -13.698   4.082  -5.327
  145    HA   GLN  20           HA       GLN  20 -14.743   3.903  -7.916
  146    HB2  GLN  20          2HB       GLN  20 -12.205   3.082  -8.307
  147    HB3  GLN  20          3HB       GLN  20 -12.653   4.764  -8.061
  148    HG2  GLN  20          2HG       GLN  20 -11.996   4.711  -5.796
  149    HG3  GLN  20          3HG       GLN  20 -11.865   2.953  -5.802
  150   HE21  GLN  20          1HE2      GLN  20 -10.434   2.443  -8.025
  151   HE22  GLN  20          2HE2      GLN  20  -8.860   3.147  -7.911
  152    H    PHE  21           H        PHE  21 -12.390   1.502  -6.860
  153    HA   PHE  21           HA       PHE  21 -13.794  -0.542  -8.346
  154    HB2  PHE  21          2HB       PHE  21 -11.815  -1.958  -7.426
  155    HB3  PHE  21          3HB       PHE  21 -11.489  -0.721  -8.636
  156    HD1  PHE  21           HD1      PHE  21 -12.096  -0.303  -4.998
  157    HD2  PHE  21           HD2      PHE  21  -9.299  -0.081  -8.198
  158    HE1  PHE  21           HE1      PHE  21 -10.455   0.736  -3.487
  159    HE2  PHE  21           HE2      PHE  21  -7.653   0.957  -6.693
  160    HZ   PHE  21           HZ       PHE  21  -8.230   1.366  -4.334
  161    H    VAL  22           H        VAL  22 -15.528   0.112  -6.487
  162    HA   VAL  22           HA       VAL  22 -15.404  -0.948  -3.945
  163    HB   VAL  22           HB       VAL  22 -17.916  -1.262  -4.158
  164   HG11  VAL  22          1HG1      VAL  22 -18.130   1.337  -4.757
  165   HG12  VAL  22          2HG1      VAL  22 -17.489   0.756  -3.218
  166   HG13  VAL  22          3HG1      VAL  22 -16.387   1.245  -4.506
  167   HG21  VAL  22          1HG2      VAL  22 -18.924  -1.204  -6.141
  168   HG22  VAL  22          2HG2      VAL  22 -18.115   0.300  -6.578
  169   HG23  VAL  22          3HG2      VAL  22 -17.323  -1.246  -6.880
  170    H    PHE  23           H        PHE  23 -14.371  -2.914  -3.794
  171    HA   PHE  23           HA       PHE  23 -15.886  -5.234  -3.902
  172    HB2  PHE  23          2HB       PHE  23 -15.113  -4.529  -6.471
  173    HB3  PHE  23          3HB       PHE  23 -13.924  -5.739  -6.000
  174    HD1  PHE  23           HD1      PHE  23 -17.310  -5.133  -7.037
  175    HD2  PHE  23           HD2      PHE  23 -14.712  -7.996  -5.257
  176    HE1  PHE  23           HE1      PHE  23 -18.931  -6.913  -7.544
  177    HE2  PHE  23           HE2      PHE  23 -16.328  -9.781  -5.762
  178    HZ   PHE  23           HZ       PHE  23 -18.440  -9.241  -6.907
  179    H    DBU  24           H        DBU  24 -14.991  -6.354  -2.314
  180    HB   DBU  24           HB       DBU  24 -11.591  -8.119  -1.287
  181    HG1  DBU  24          1HG       DBU  24 -11.798  -8.500  -3.971
  182    HG2  DBU  24          2HG       DBU  24 -13.520  -8.606  -3.582
  183    HG3  DBU  24          3HG       DBU  24 -12.373  -9.745  -2.855
  184    H    CYS  25           H        CYS  25 -10.852  -5.657  -1.144
  185    HA   CYS  25           HA       CYS  25 -11.413  -5.254   1.646
  186    HB2  CYS  25          2HB       CYS  25  -9.174  -4.643   1.868
  187    HB3  CYS  25          3HB       CYS  25  -9.133  -5.770   0.516
  188    H    CYS  26           H        CYS  26 -12.131  -3.544  -1.141
  189    HA   CYS  26           HA       CYS  26 -12.771  -1.164   0.433
  190    HB2  CYS  26          2HB       CYS  26 -10.535  -1.103  -1.067
  191    HB3  CYS  26          3HB       CYS  26 -11.715  -0.641  -2.289
  192    H    SER  27           H        SER  27 -14.945  -1.510   0.310
  193    HA   SER  27           HA       SER  27 -16.225  -0.857  -2.179
  194    HB2  SER  27          2HB       SER  27 -17.149  -2.856  -2.765
  195    HB3  SER  27          3HB       SER  27 -15.737  -3.502  -1.928
  196    HG   SER  27           HG       SER  27 -17.015  -4.307  -0.477
  Start of MODEL    9
    1    H1   LYS   1           H        LYS   1   6.068   1.789   2.393
    2    HA   LYS   1           HA       LYS   1   8.190   1.437   0.395
    3    HB2  LYS   1          2HB       LYS   1   7.807  -0.245   2.293
    4    HB3  LYS   1          3HB       LYS   1   6.354  -0.718   1.423
    5    HG2  LYS   1          2HG       LYS   1   8.768  -0.645  -0.228
    6    HG3  LYS   1          3HG       LYS   1   8.814  -1.824   1.085
    7    HD2  LYS   1          2HD       LYS   1   6.495  -1.592  -0.821
    8    HD3  LYS   1          3HD       LYS   1   7.882  -2.642  -1.124
    9    HE2  LYS   1          2HE       LYS   1   7.290  -3.398   1.379
   10    HE3  LYS   1          3HE       LYS   1   5.686  -2.902   0.841
   11    HZ1  LYS   1          1HZ       LYS   1   7.429  -4.856  -0.561
   12    HZ2  LYS   1          2HZ       LYS   1   5.864  -4.410  -1.021
   13    HZ3  LYS   1          3HZ       LYS   1   6.111  -5.255   0.423
   14    H    LYS   2           H        LYS   2   4.698   1.297   0.844
   15    HA   LYS   2           HA       LYS   2   4.237   1.920  -1.908
   16    HB2  LYS   2          2HB       LYS   2   4.681  -0.593  -1.880
   17    HB3  LYS   2          3HB       LYS   2   3.173  -0.747  -0.987
   18    HG2  LYS   2          2HG       LYS   2   2.481  -1.124  -3.142
   19    HG3  LYS   2          3HG       LYS   2   2.172   0.605  -2.971
   20    HD2  LYS   2          2HD       LYS   2   4.864   0.217  -3.849
   21    HD3  LYS   2          3HD       LYS   2   3.777  -0.701  -4.894
   22    HE2  LYS   2          2HE       LYS   2   2.436   1.311  -5.264
   23    HE3  LYS   2          3HE       LYS   2   3.514   2.227  -4.212
   24    HZ1  LYS   2          1HZ       LYS   2   4.173   2.657  -6.422
   25    HZ2  LYS   2          2HZ       LYS   2   4.150   1.020  -6.843
   26    HZ3  LYS   2          3HZ       LYS   2   5.337   1.605  -5.790
   27    H    LYS   3           H        LYS   3   3.084   3.646  -1.048
   28    HA   LYS   3           HA       LYS   3   0.495   2.916   0.149
   29    HB2  LYS   3          2HB       LYS   3   2.537   4.820   1.095
   30    HB3  LYS   3          3HB       LYS   3   0.893   5.447   1.082
   31    HG2  LYS   3          2HG       LYS   3   0.389   3.144   2.277
   32    HG3  LYS   3          3HG       LYS   3   2.091   3.285   2.723
   33    HD2  LYS   3          2HD       LYS   3   1.687   5.443   3.734
   34    HD3  LYS   3          3HD       LYS   3   0.009   5.420   3.189
   35    HE2  LYS   3          2HE       LYS   3  -0.642   4.047   4.851
   36    HE3  LYS   3          3HE       LYS   3   0.833   3.086   4.771
   37    HZ1  LYS   3          1HZ       LYS   3   0.436   5.671   6.165
   38    HZ2  LYS   3          2HZ       LYS   3   1.963   4.993   5.902
   39    HZ3  LYS   3          3HZ       LYS   3   0.827   4.174   6.851
   40    H    SER   4           H        SER   4  -1.220   3.637  -0.932
   41    HA   SER   4           HA       SER   4  -1.357   6.151  -2.226
   42    HB2  SER   4          2HB       SER   4  -0.288   3.959  -3.787
   43    HB3  SER   4          3HB       SER   4  -1.793   4.552  -4.488
   44    HG   SER   4           HG       SER   4   0.432   5.606  -4.945
   45    H    GLY   5           H        GLY   5  -3.351   6.527  -1.451
   46    HA2  GLY   5          2HA       GLY   5  -5.686   6.039  -2.473
   47    HA3  GLY   5          3HA       GLY   5  -5.406   4.452  -1.773
   48    H    VAL   6           H        VAL   6  -6.590   7.569  -1.235
   49    HA   VAL   6           HA       VAL   6  -7.678   6.948   1.274
   50    HB   VAL   6           HB       VAL   6  -5.434   7.136   2.154
   51   HG11  VAL   6          1HG1      VAL   6  -4.039   9.034   1.884
   52   HG12  VAL   6          2HG1      VAL   6  -4.613   8.601   0.272
   53   HG13  VAL   6          3HG1      VAL   6  -5.333   9.964   1.130
   54   HG21  VAL   6          1HG2      VAL   6  -7.474   8.155   3.341
   55   HG22  VAL   6          2HG2      VAL   6  -5.868   8.588   3.928
   56   HG23  VAL   6          3HG2      VAL   6  -6.768   9.713   2.910
   57    H    ILE   7           H        ILE   7  -6.601   9.400  -0.983
   58    HA   ILE   7           HA       ILE   7  -8.464  11.384  -0.011
   59    HB   ILE   7           HB       ILE   7  -7.426  11.910  -2.665
   60   HG12  ILE   7          2HG1      ILE   7  -5.478  11.141  -0.490
   61   HG13  ILE   7          3HG1      ILE   7  -5.586  10.484  -2.120
   62   HG21  ILE   7          1HG2      ILE   7  -6.880  13.279  -0.037
   63   HG22  ILE   7          2HG2      ILE   7  -6.716  13.965  -1.652
   64   HG23  ILE   7          3HG2      ILE   7  -8.313  13.557  -1.026
   65   HD11  ILE   7          1HD1      ILE   7  -3.770  11.876  -2.279
   66   HD12  ILE   7          2HD1      ILE   7  -5.071  12.927  -2.840
   67   HD13  ILE   7          3HD1      ILE   7  -4.461  13.081  -1.193
   68    HA   PRO   8           HA       PRO   8 -10.594  10.397  -4.236
   69    HB2  PRO   8          2HB       PRO   8  -9.715   8.217  -5.594
   70    HB3  PRO   8          3HB       PRO   8  -9.032   9.832  -5.823
   71    HG2  PRO   8          2HG       PRO   8  -7.997   7.553  -4.181
   72    HG3  PRO   8          3HG       PRO   8  -7.110   8.657  -5.249
   73    HD2  PRO   8          2HD       PRO   8  -7.147   8.950  -2.557
   74    HD3  PRO   8          3HD       PRO   8  -7.039  10.332  -3.667
   75    H    DBB   9           H        DBB   9  -9.650   8.020  -1.937
   76    HA   DBB   9           HA       DBB   9 -12.371   6.895  -1.926
   77    HB2  DBB   9          3HB       DBB   9 -10.029   6.398  -0.036
   78    HG1  DBB   9          1HG       DBB   9 -10.720   8.796  -0.119
   79    HG2  DBB   9          2HG       DBB   9 -12.396   8.304   0.224
   80    HG3  DBB   9          3HG       DBB   9 -11.125   8.035   1.439
   81    H    VAL  10           H        VAL  10  -8.981   5.825  -2.099
   82    HA   VAL  10           HA       VAL  10  -9.920   3.215  -3.079
   83    HB   VAL  10           HB       VAL  10  -8.188   3.185  -4.793
   84   HG11  VAL  10          1HG1      VAL  10  -9.099   5.336  -6.073
   85   HG12  VAL  10          2HG1      VAL  10 -10.082   3.890  -5.834
   86   HG13  VAL  10          3HG1      VAL  10 -10.282   5.281  -4.767
   87   HG21  VAL  10          1HG2      VAL  10  -7.388   5.699  -3.466
   88   HG22  VAL  10          2HG2      VAL  10  -6.403   4.469  -4.258
   89   HG23  VAL  10          3HG2      VAL  10  -7.262   5.667  -5.225
   90    H    DAL  11           H        DAL  11  -8.026   1.625  -3.190
   91    HA   DAL  11           HA       DAL  11  -5.717   2.013  -1.537
   92    HB1  DAL  11          2HB       DAL  11  -5.118   0.009  -2.411
   93    HB2  DAL  11          3HB       DAL  11  -6.596  -0.774  -1.802
   94    H    HIS  12           H        HIS  12  -5.305   0.578   0.378
   95    HA   HIS  12           HA       HIS  12  -7.695   0.049   1.980
   96    HB2  HIS  12          2HB       HIS  12  -6.017  -1.040   3.544
   97    HB3  HIS  12          3HB       HIS  12  -6.199  -1.798   1.965
   98    HD1  HIS  12           HD1      HIS  12  -4.212  -1.543   0.295
   99    HD2  HIS  12           HD2      HIS  12  -3.510   0.032   4.075
  100    HE1  HIS  12           HE1      HIS  12  -1.730  -1.153   0.411
  101    H    ASP  13           H        ASP  13  -7.977   2.446   2.127
  102    HA   ASP  13           HA       ASP  13  -7.342   3.376   4.672
  103    HB2  ASP  13          2HB       ASP  13  -5.125   3.603   3.035
  104    HB3  ASP  13          3HB       ASP  13  -5.845   5.209   2.957
  105    H    CYS  14           H        CYS  14  -9.542   3.251   2.854
  106    HA   CYS  14           HA       CYS  14 -10.080   5.980   2.027
  107    HB2  CYS  14          2HB       CYS  14 -10.781   3.860   0.754
  108    HB3  CYS  14          3HB       CYS  14 -12.043   3.696   1.972
  109    H    HIS  15           H        HIS  15  -9.913   4.842   4.929
  110    HA   HIS  15           HA       HIS  15 -10.792   5.464   6.938
  111    HB2  HIS  15          2HB       HIS  15 -12.810   7.197   5.541
  112    HB3  HIS  15          3HB       HIS  15 -12.050   7.434   7.112
  113    HD1  HIS  15           HD1      HIS  15  -9.597   8.362   7.106
  114    HD2  HIS  15           HD2      HIS  15 -11.435   8.251   3.382
  115    HE1  HIS  15           HE1      HIS  15  -8.177   9.803   5.613
  116    H    MET  16           H        MET  16 -11.968   3.362   5.087
  117    HA   MET  16           HA       MET  16 -14.090   2.571   6.830
  118    HB2  MET  16          2HB       MET  16 -14.721   3.888   4.271
  119    HB3  MET  16          3HB       MET  16 -15.557   2.366   4.544
  120    HG2  MET  16          2HG       MET  16 -15.710   3.872   6.934
  121    HG3  MET  16          3HG       MET  16 -16.140   4.934   5.596
  122    HE1  MET  16          1HE       MET  16 -18.559   4.515   4.093
  123    HE2  MET  16          2HE       MET  16 -19.704   4.370   5.427
  124    HE3  MET  16          3HE       MET  16 -18.309   5.439   5.575
  125    H    ASN  17           H        ASN  17 -13.797   1.881   3.373
  126    HA   ASN  17           HA       ASN  17 -12.135  -0.343   3.496
  127    HB2  ASN  17          2HB       ASN  17 -14.531  -0.913   4.767
  128    HB3  ASN  17          3HB       ASN  17 -14.755  -1.584   3.154
  129   HD21  ASN  17          1HD2      ASN  17 -13.202  -1.908   6.176
  130   HD22  ASN  17          2HD2      ASN  17 -12.339  -3.366   5.835
  131    H    DAL  18           H        DAL  18 -12.795   1.843   1.771
  132    HA   DAL  18           HA       DAL  18 -13.391   0.339  -0.723
  133    HB1  DAL  18          2HB       DAL  18 -11.341   1.260  -1.198
  134    HB2  DAL  18          3HB       DAL  18 -12.318   2.700  -1.570
  135    H    PHE  19           H        PHE  19 -15.685   0.590  -0.202
  136    HA   PHE  19           HA       PHE  19 -17.719   1.566  -0.487
  137    HB2  PHE  19          2HB       PHE  19 -16.891   3.049   1.347
  138    HB3  PHE  19          3HB       PHE  19 -16.298   4.165   0.121
  139    HD1  PHE  19           HD1      PHE  19 -19.454   2.353   0.956
  140    HD2  PHE  19           HD2      PHE  19 -17.627   5.965  -0.359
  141    HE1  PHE  19           HE1      PHE  19 -21.660   3.440   0.889
  142    HE2  PHE  19           HE2      PHE  19 -19.830   7.059  -0.427
  143    HZ   PHE  19           HZ       PHE  19 -21.850   5.797   0.197
  144    H    GLN  20           H        GLN  20 -18.951   3.072  -1.902
  145    HA   GLN  20           HA       GLN  20 -19.420   3.972  -3.938
  146    HB2  GLN  20          2HB       GLN  20 -16.589   4.777  -3.514
  147    HB3  GLN  20          3HB       GLN  20 -17.235   4.926  -5.142
  148    HG2  GLN  20          2HG       GLN  20 -18.288   6.229  -2.645
  149    HG3  GLN  20          3HG       GLN  20 -17.489   7.014  -4.006
  150   HE21  GLN  20          1HE2      GLN  20 -18.592   6.955  -6.075
  151   HE22  GLN  20          2HE2      GLN  20 -20.319   6.949  -6.110
  152    H    PHE  21           H        PHE  21 -16.139   2.963  -4.777
  153    HA   PHE  21           HA       PHE  21 -17.304   1.072  -6.706
  154    HB2  PHE  21          2HB       PHE  21 -14.865   1.274  -7.671
  155    HB3  PHE  21          3HB       PHE  21 -16.060   2.523  -8.004
  156    HD1  PHE  21           HD1      PHE  21 -13.291   1.657  -5.685
  157    HD2  PHE  21           HD2      PHE  21 -15.613   4.738  -7.482
  158    HE1  PHE  21           HE1      PHE  21 -11.781   3.349  -4.728
  159    HE2  PHE  21           HE2      PHE  21 -14.107   6.434  -6.529
  160    HZ   PHE  21           HZ       PHE  21 -12.188   5.740  -5.151
  161    H    VAL  22           H        VAL  22 -17.285   0.009  -4.288
  162    HA   VAL  22           HA       VAL  22 -14.901  -1.202  -3.412
  163    HB   VAL  22           HB       VAL  22 -17.664  -2.350  -3.036
  164   HG11  VAL  22          1HG1      VAL  22 -15.006  -2.795  -1.850
  165   HG12  VAL  22          2HG1      VAL  22 -16.347  -2.707  -0.706
  166   HG13  VAL  22          3HG1      VAL  22 -16.377  -3.892  -2.013
  167   HG21  VAL  22          1HG2      VAL  22 -16.995  -0.815  -0.796
  168   HG22  VAL  22          2HG2      VAL  22 -16.638   0.204  -2.190
  169   HG23  VAL  22          3HG2      VAL  22 -18.252  -0.478  -1.987
  170    H    PHE  23           H        PHE  23 -13.746  -2.257  -4.962
  171    HA   PHE  23           HA       PHE  23 -14.411  -4.906  -5.592
  172    HB2  PHE  23          2HB       PHE  23 -15.808  -3.203  -7.219
  173    HB3  PHE  23          3HB       PHE  23 -14.368  -3.517  -8.183
  174    HD1  PHE  23           HD1      PHE  23 -16.547  -5.585  -5.964
  175    HD2  PHE  23           HD2      PHE  23 -14.730  -5.109  -9.783
  176    HE1  PHE  23           HE1      PHE  23 -17.503  -7.735  -6.683
  177    HE2  PHE  23           HE2      PHE  23 -15.684  -7.258 -10.509
  178    HZ   PHE  23           HZ       PHE  23 -17.073  -8.573  -8.958
  179    H    DBU  24           H        DBU  24 -12.428  -5.704  -5.407
  180    HB   DBU  24           HB       DBU  24  -8.979  -5.808  -7.344
  181    HG1  DBU  24          1HG       DBU  24 -10.927  -5.742  -9.259
  182    HG2  DBU  24          2HG       DBU  24 -11.764  -6.755  -8.076
  183    HG3  DBU  24          3HG       DBU  24 -10.212  -7.277  -8.753
  184    H    CYS  25           H        CYS  25  -9.587  -2.883  -6.214
  185    HA   CYS  25           HA       CYS  25  -7.624  -3.412  -4.175
  186    HB2  CYS  25          2HB       CYS  25  -6.980  -1.970  -5.988
  187    HB3  CYS  25          3HB       CYS  25  -8.356  -0.910  -5.702
  188    H    CYS  26           H        CYS  26 -10.788  -2.017  -4.339
  189    HA   CYS  26           HA       CYS  26 -10.603  -0.621  -1.828
  190    HB2  CYS  26          2HB       CYS  26 -12.622  -0.990  -3.941
  191    HB3  CYS  26          3HB       CYS  26 -13.281  -0.839  -2.315
  192    H    SER  27           H        SER  27 -11.673  -3.757  -2.942
  193    HA   SER  27           HA       SER  27 -12.842  -4.428  -0.367
  194    HB2  SER  27          2HB       SER  27 -12.416  -6.324  -2.674
  195    HB3  SER  27          3HB       SER  27 -13.615  -6.423  -1.385
  196    HG   SER  27           HG       SER  27 -13.572  -4.789  -3.664
  Start of MODEL   10
    1    H1   LYS   1           H        LYS   1   8.978  -0.538  -2.682
    2    HA   LYS   1           HA       LYS   1   8.229   1.526  -3.454
    3    HB2  LYS   1          2HB       LYS   1   6.956  -0.246  -5.496
    4    HB3  LYS   1          3HB       LYS   1   6.311   1.373  -5.265
    5    HG2  LYS   1          2HG       LYS   1   9.152   1.528  -5.450
    6    HG3  LYS   1          3HG       LYS   1   8.531   0.582  -6.805
    7    HD2  LYS   1          2HD       LYS   1   7.437   2.352  -7.712
    8    HD3  LYS   1          3HD       LYS   1   7.067   3.066  -6.140
    9    HE2  LYS   1          2HE       LYS   1   9.726   3.373  -6.144
   10    HE3  LYS   1          3HE       LYS   1   9.436   3.411  -7.882
   11    HZ1  LYS   1          1HZ       LYS   1   9.336   5.625  -7.024
   12    HZ2  LYS   1          2HZ       LYS   1   8.211   5.184  -5.841
   13    HZ3  LYS   1          3HZ       LYS   1   7.771   5.167  -7.474
   14    H    LYS   2           H        LYS   2   6.803   2.678  -2.304
   15    HA   LYS   2           HA       LYS   2   4.296   1.380  -1.476
   16    HB2  LYS   2          2HB       LYS   2   6.456   1.945   0.207
   17    HB3  LYS   2          3HB       LYS   2   5.298   3.233   0.517
   18    HG2  LYS   2          2HG       LYS   2   4.284   1.832   1.904
   19    HG3  LYS   2          3HG       LYS   2   3.750   0.939   0.478
   20    HD2  LYS   2          2HD       LYS   2   5.488  -0.617   0.659
   21    HD3  LYS   2          3HD       LYS   2   6.434   0.429   1.720
   22    HE2  LYS   2          2HE       LYS   2   4.808   0.113   3.504
   23    HE3  LYS   2          3HE       LYS   2   3.815  -0.884   2.442
   24    HZ1  LYS   2          1HZ       LYS   2   4.983  -2.455   3.607
   25    HZ2  LYS   2          2HZ       LYS   2   6.388  -1.519   3.709
   26    HZ3  LYS   2          3HZ       LYS   2   5.980  -2.274   2.252
   27    H    LYS   3           H        LYS   3   2.577   2.846  -0.909
   28    HA   LYS   3           HA       LYS   3   2.925   5.595  -1.882
   29    HB2  LYS   3          2HB       LYS   3   1.602   3.625  -3.327
   30    HB3  LYS   3          3HB       LYS   3   0.303   4.499  -2.525
   31    HG2  LYS   3          2HG       LYS   3   1.635   6.595  -3.424
   32    HG3  LYS   3          3HG       LYS   3   2.212   5.416  -4.605
   33    HD2  LYS   3          2HD       LYS   3  -0.437   4.871  -4.612
   34    HD3  LYS   3          3HD       LYS   3  -0.464   6.600  -4.255
   35    HE2  LYS   3          2HE       LYS   3  -0.568   6.363  -6.621
   36    HE3  LYS   3          3HE       LYS   3   1.051   6.936  -6.222
   37    HZ1  LYS   3          1HZ       LYS   3   0.600   4.897  -7.845
   38    HZ2  LYS   3          2HZ       LYS   3   0.703   4.052  -6.384
   39    HZ3  LYS   3          3HZ       LYS   3   1.995   5.017  -6.894
   40    H    SER   4           H        SER   4   0.508   3.414  -0.418
   41    HA   SER   4           HA       SER   4  -1.000   3.731   1.261
   42    HB2  SER   4          2HB       SER   4   1.273   5.425   2.322
   43    HB3  SER   4          3HB       SER   4  -0.122   4.914   3.272
   44    HG   SER   4           HG       SER   4   1.080   3.232   3.666
   45    H    GLY   5           H        GLY   5  -2.407   4.884  -0.222
   46    HA2  GLY   5          2HA       GLY   5  -2.389   7.795  -0.048
   47    HA3  GLY   5          3HA       GLY   5  -3.429   6.819  -1.075
   48    H    VAL   6           H        VAL   6  -4.105   9.046   0.713
   49    HA   VAL   6           HA       VAL   6  -6.226   7.681   2.194
   50    HB   VAL   6           HB       VAL   6  -4.567   9.858   3.467
   51   HG11  VAL   6          1HG1      VAL   6  -6.043   8.286   5.316
   52   HG12  VAL   6          2HG1      VAL   6  -6.217  10.002   4.943
   53   HG13  VAL   6          3HG1      VAL   6  -7.138   8.803   4.034
   54   HG21  VAL   6          1HG2      VAL   6  -3.850   7.963   5.005
   55   HG22  VAL   6          2HG2      VAL   6  -4.444   6.868   3.756
   56   HG23  VAL   6          3HG2      VAL   6  -3.133   7.991   3.394
   57    H    ILE   7           H        ILE   7  -7.407   8.531   0.327
   58    HA   ILE   7           HA       ILE   7  -8.576  11.091   0.951
   59    HB   ILE   7           HB       ILE   7  -7.992  11.174  -1.866
   60   HG12  ILE   7          2HG1      ILE   7  -5.572  11.235  -0.052
   61   HG13  ILE   7          3HG1      ILE   7  -5.963   9.908  -1.140
   62   HG21  ILE   7          1HG2      ILE   7  -7.251  13.421  -1.326
   63   HG22  ILE   7          2HG2      ILE   7  -8.751  13.050  -0.478
   64   HG23  ILE   7          3HG2      ILE   7  -7.217  13.017   0.390
   65   HD11  ILE   7          1HD1      ILE   7  -5.283  12.735  -1.903
   66   HD12  ILE   7          2HD1      ILE   7  -4.305  11.290  -2.161
   67   HD13  ILE   7          3HD1      ILE   7  -5.822  11.495  -3.035
   68    HA   PRO   8           HA       PRO   8 -11.070   9.024  -2.624
   69    HB2  PRO   8          2HB       PRO   8 -10.040   6.776  -3.744
   70    HB3  PRO   8          3HB       PRO   8  -9.669   8.400  -4.335
   71    HG2  PRO   8          2HG       PRO   8  -8.060   6.622  -2.543
   72    HG3  PRO   8          3HG       PRO   8  -7.520   7.625  -3.903
   73    HD2  PRO   8          2HD       PRO   8  -7.236   8.394  -1.322
   74    HD3  PRO   8          3HD       PRO   8  -7.508   9.553  -2.640
   75    H    DBB   9           H        DBB   9  -9.340   7.087  -0.306
   76    HA   DBB   9           HA       DBB   9 -11.842   5.768   0.498
   77    HB2  DBB   9          3HB       DBB   9  -9.080   6.084   1.704
   78    HG1  DBB   9          1HG       DBB   9 -11.185   7.685   1.918
   79    HG2  DBB   9          2HG       DBB   9 -11.735   6.459   3.085
   80    HG3  DBB   9          3HG       DBB   9 -10.195   7.311   3.349
   81    H    VAL  10           H        VAL  10  -8.459   4.734  -0.007
   82    HA   VAL  10           HA       VAL  10  -9.456   2.354  -1.399
   83    HB   VAL  10           HB       VAL  10  -7.086   2.034  -2.092
   84   HG11  VAL  10          1HG1      VAL  10  -8.265   3.048  -3.771
   85   HG12  VAL  10          2HG1      VAL  10  -8.676   4.453  -2.785
   86   HG13  VAL  10          3HG1      VAL  10  -7.052   4.288  -3.454
   87   HG21  VAL  10          1HG2      VAL  10  -6.292   4.764  -1.439
   88   HG22  VAL  10          2HG2      VAL  10  -6.509   3.741  -0.019
   89   HG23  VAL  10          3HG2      VAL  10  -5.389   3.255  -1.293
   90    H    DAL  11           H        DAL  11  -8.287   0.295  -0.999
   91    HA   DAL  11           HA       DAL  11  -6.838  -0.130   1.451
   92    HB1  DAL  11          2HB       DAL  11  -6.433  -2.154   0.514
   93    HB2  DAL  11          3HB       DAL  11  -8.172  -2.505   0.372
   94    H    HIS  12           H        HIS  12  -7.571  -0.777   3.402
   95    HA   HIS  12           HA       HIS  12 -10.411  -0.529   3.904
   96    HB2  HIS  12          2HB       HIS  12 -10.495  -2.722   5.127
   97    HB3  HIS  12          3HB       HIS  12 -10.353  -2.869   3.377
   98    HD1  HIS  12           HD1      HIS  12  -7.895  -3.473   2.480
   99    HD2  HIS  12           HD2      HIS  12  -8.538  -3.988   6.553
  100    HE1  HIS  12           HE1      HIS  12  -6.019  -4.947   3.276
  101    H    ASP  13           H        ASP  13  -8.801   1.286   4.782
  102    HA   ASP  13           HA       ASP  13  -9.012   1.247   7.566
  103    HB2  ASP  13          2HB       ASP  13  -6.895  -0.315   6.833
  104    HB3  ASP  13          3HB       ASP  13  -6.112   1.246   7.058
  105    H    CYS  14           H        CYS  14  -9.586   3.014   5.465
  106    HA   CYS  14           HA       CYS  14  -7.760   5.254   6.044
  107    HB2  CYS  14          2HB       CYS  14  -8.610   6.219   3.870
  108    HB3  CYS  14          3HB       CYS  14  -7.620   4.771   3.712
  109    H    HIS  15           H        HIS  15 -11.129   4.310   5.539
  110    HA   HIS  15           HA       HIS  15 -12.159   5.910   7.569
  111    HB2  HIS  15          2HB       HIS  15 -11.960   7.950   6.599
  112    HB3  HIS  15          3HB       HIS  15 -11.813   7.278   4.978
  113    HD1  HIS  15           HD1      HIS  15 -14.523   7.951   7.555
  114    HD2  HIS  15           HD2      HIS  15 -14.026   7.608   3.445
  115    HE1  HIS  15           HE1      HIS  15 -16.748   8.562   6.556
  116    H    MET  16           H        MET  16 -12.730   4.516   4.384
  117    HA   MET  16           HA       MET  16 -15.266   3.428   5.400
  118    HB2  MET  16          2HB       MET  16 -14.957   5.290   3.270
  119    HB3  MET  16          3HB       MET  16 -15.451   3.754   2.572
  120    HG2  MET  16          2HG       MET  16 -17.223   3.814   4.507
  121    HG3  MET  16          3HG       MET  16 -16.906   5.546   4.441
  122    HE1  MET  16          1HE       MET  16 -17.511   6.169   0.599
  123    HE2  MET  16          2HE       MET  16 -17.773   7.106   2.069
  124    HE3  MET  16          3HE       MET  16 -16.244   6.261   1.823
  125    H    ASN  17           H        ASN  17 -16.046   1.724   3.596
  126    HA   ASN  17           HA       ASN  17 -13.737  -0.056   3.175
  127    HB2  ASN  17          2HB       ASN  17 -15.712  -1.808   3.066
  128    HB3  ASN  17          3HB       ASN  17 -15.072  -1.265   4.614
  129   HD21  ASN  17          1HD2      ASN  17 -16.342  -0.104   5.970
  130   HD22  ASN  17          2HD2      ASN  17 -18.007   0.245   5.666
  131    H    DAL  18           H        DAL  18 -13.548   1.330   1.159
  132    HA   DAL  18           HA       DAL  18 -14.657  -0.153  -1.087
  133    HB1  DAL  18          2HB       DAL  18 -13.090   2.421  -1.342
  134    HB2  DAL  18          3HB       DAL  18 -12.271   0.936  -0.802
  135    H    PHE  19           H        PHE  19 -15.111   1.610  -3.022
  136    HA   PHE  19           HA       PHE  19 -17.703   2.539  -2.524
  137    HB2  PHE  19          2HB       PHE  19 -16.571   4.263  -1.180
  138    HB3  PHE  19          3HB       PHE  19 -15.619   4.731  -2.585
  139    HD1  PHE  19           HD1      PHE  19 -16.355   7.006  -2.603
  140    HD2  PHE  19           HD2      PHE  19 -19.164   3.815  -2.805
  141    HE1  PHE  19           HE1      PHE  19 -18.112   8.598  -3.262
  142    HE2  PHE  19           HE2      PHE  19 -20.925   5.401  -3.465
  143    HZ   PHE  19           HZ       PHE  19 -20.400   7.796  -3.695
  144    H    GLN  20           H        GLN  20 -18.731   2.746  -4.421
  145    HA   GLN  20           HA       GLN  20 -19.115   2.877  -6.659
  146    HB2  GLN  20          2HB       GLN  20 -16.453   4.309  -6.715
  147    HB3  GLN  20          3HB       GLN  20 -17.618   4.268  -8.032
  148    HG2  GLN  20          2HG       GLN  20 -18.138   5.443  -5.310
  149    HG3  GLN  20          3HG       GLN  20 -17.675   6.363  -6.741
  150   HE21  GLN  20          1HE2      GLN  20 -20.151   4.251  -5.405
  151   HE22  GLN  20          2HE2      GLN  20 -21.452   4.863  -6.363
  152    H    PHE  21           H        PHE  21 -15.582   2.669  -6.849
  153    HA   PHE  21           HA       PHE  21 -15.799   0.379  -8.599
  154    HB2  PHE  21          2HB       PHE  21 -13.205   0.596  -8.475
  155    HB3  PHE  21          3HB       PHE  21 -14.131   1.826  -9.329
  156    HD1  PHE  21           HD1      PHE  21 -12.356   1.062  -6.187
  157    HD2  PHE  21           HD2      PHE  21 -14.139   4.074  -8.608
  158    HE1  PHE  21           HE1      PHE  21 -11.351   2.798  -4.762
  159    HE2  PHE  21           HE2      PHE  21 -13.136   5.815  -7.188
  160    HZ   PHE  21           HZ       PHE  21 -11.740   5.178  -5.262
  161    H    VAL  22           H        VAL  22 -16.846  -0.516  -6.371
  162    HA   VAL  22           HA       VAL  22 -14.834  -1.718  -4.658
  163    HB   VAL  22           HB       VAL  22 -16.673  -2.585  -3.353
  164   HG11  VAL  22          1HG1      VAL  22 -16.897  -0.597  -2.389
  165   HG12  VAL  22          2HG1      VAL  22 -16.186   0.138  -3.827
  166   HG13  VAL  22          3HG1      VAL  22 -17.936  -0.033  -3.697
  167   HG21  VAL  22          1HG2      VAL  22 -19.005  -1.579  -4.385
  168   HG22  VAL  22          2HG2      VAL  22 -18.156  -2.134  -5.828
  169   HG23  VAL  22          3HG2      VAL  22 -18.472  -3.257  -4.505
  170    H    PHE  23           H        PHE  23 -14.140  -3.773  -4.744
  171    HA   PHE  23           HA       PHE  23 -15.588  -5.916  -5.892
  172    HB2  PHE  23          2HB       PHE  23 -14.055  -6.347  -7.821
  173    HB3  PHE  23          3HB       PHE  23 -15.055  -4.912  -8.015
  174    HD1  PHE  23           HD1      PHE  23 -14.037  -2.657  -7.616
  175    HD2  PHE  23           HD2      PHE  23 -11.713  -6.215  -7.863
  176    HE1  PHE  23           HE1      PHE  23 -12.022  -1.308  -8.033
  177    HE2  PHE  23           HE2      PHE  23  -9.694  -4.871  -8.280
  178    HZ   PHE  23           HZ       PHE  23  -9.847  -2.414  -8.364
  179    H    DBU  24           H        DBU  24 -12.289  -4.710  -5.337
  180    HB   DBU  24           HB       DBU  24 -10.073  -7.826  -3.960
  181    HG1  DBU  24          1HG       DBU  24 -12.199  -8.935  -5.452
  182    HG2  DBU  24          2HG       DBU  24 -10.488  -9.081  -5.877
  183    HG3  DBU  24          3HG       DBU  24 -11.475  -7.793  -6.593
  184    H    CYS  25           H        CYS  25  -9.906  -4.221  -4.387
  185    HA   CYS  25           HA       CYS  25  -9.075  -4.335  -1.633
  186    HB2  CYS  25          2HB       CYS  25  -7.585  -3.606  -3.518
  187    HB3  CYS  25          3HB       CYS  25  -8.559  -2.145  -3.652
  188    H    CYS  26           H        CYS  26 -11.742  -3.089  -3.222
  189    HA   CYS  26           HA       CYS  26 -12.159  -0.998  -1.196
  190    HB2  CYS  26          2HB       CYS  26 -12.848  -1.240  -4.030
  191    HB3  CYS  26          3HB       CYS  26 -14.206  -0.732  -3.031
  192    H    SER  27           H        SER  27 -12.672  -2.707   0.356
  193    HA   SER  27           HA       SER  27 -15.508  -3.158   0.471
  194    HB2  SER  27          2HB       SER  27 -14.978  -5.075  -0.879
  195    HB3  SER  27          3HB       SER  27 -13.618  -5.498   0.161
  196    HG   SER  27           HG       SER  27 -15.278  -6.794   0.787
  Start of MODEL   11
    1    H1   LYS   1           H        LYS   1   5.574   6.502  -4.313
    2    HA   LYS   1           HA       LYS   1   4.006   7.170  -6.304
    3    HB2  LYS   1          2HB       LYS   1   3.198   4.336  -5.622
    4    HB3  LYS   1          3HB       LYS   1   2.316   5.420  -6.690
    5    HG2  LYS   1          2HG       LYS   1   4.019   5.365  -8.318
    6    HG3  LYS   1          3HG       LYS   1   5.163   4.615  -7.203
    7    HD2  LYS   1          2HD       LYS   1   2.604   3.226  -7.893
    8    HD3  LYS   1          3HD       LYS   1   3.976   3.159  -9.002
    9    HE2  LYS   1          2HE       LYS   1   5.303   2.480  -6.859
   10    HE3  LYS   1          3HE       LYS   1   3.709   2.055  -6.238
   11    HZ1  LYS   1          1HZ       LYS   1   5.311   0.484  -7.797
   12    HZ2  LYS   1          2HZ       LYS   1   4.133   1.046  -8.873
   13    HZ3  LYS   1          3HZ       LYS   1   3.672   0.223  -7.468
   14    H    LYS   2           H        LYS   2   2.045   8.075  -5.685
   15    HA   LYS   2           HA       LYS   2   1.572   8.069  -2.801
   16    HB2  LYS   2          2HB       LYS   2   0.837   9.928  -5.039
   17    HB3  LYS   2          3HB       LYS   2  -0.024  10.002  -3.508
   18    HG2  LYS   2          2HG       LYS   2   1.600  11.564  -3.152
   19    HG3  LYS   2          3HG       LYS   2   2.398  10.126  -2.510
   20    HD2  LYS   2          2HD       LYS   2   4.004  10.221  -4.059
   21    HD3  LYS   2          3HD       LYS   2   2.832  10.430  -5.363
   22    HE2  LYS   2          2HE       LYS   2   2.652  12.844  -4.641
   23    HE3  LYS   2          3HE       LYS   2   4.045  12.549  -3.602
   24    HZ1  LYS   2          1HZ       LYS   2   4.957  11.610  -5.910
   25    HZ2  LYS   2          2HZ       LYS   2   5.154  13.219  -5.425
   26    HZ3  LYS   2          3HZ       LYS   2   3.909  12.804  -6.492
   27    H    LYS   3           H        LYS   3   0.753   5.727  -3.672
   28    HA   LYS   3           HA       LYS   3  -2.131   5.940  -4.198
   29    HB2  LYS   3          2HB       LYS   3  -0.056   3.910  -4.819
   30    HB3  LYS   3          3HB       LYS   3  -1.664   3.305  -4.439
   31    HG2  LYS   3          2HG       LYS   3  -2.002   5.435  -6.251
   32    HG3  LYS   3          3HG       LYS   3  -0.692   4.429  -6.872
   33    HD2  LYS   3          2HD       LYS   3  -3.088   3.018  -5.857
   34    HD3  LYS   3          3HD       LYS   3  -3.280   3.929  -7.357
   35    HE2  LYS   3          2HE       LYS   3  -0.954   2.656  -7.856
   36    HE3  LYS   3          3HE       LYS   3  -1.736   1.477  -6.803
   37    HZ1  LYS   3          1HZ       LYS   3  -3.659   1.504  -8.273
   38    HZ2  LYS   3          2HZ       LYS   3  -2.262   1.061  -9.116
   39    HZ3  LYS   3          3HZ       LYS   3  -2.894   2.620  -9.288
   40    H    SER   4           H        SER   4   0.249   4.585  -1.990
   41    HA   SER   4           HA       SER   4  -1.709   3.263  -0.353
   42    HB2  SER   4          2HB       SER   4   0.532   3.443   1.216
   43    HB3  SER   4          3HB       SER   4   0.217   2.151   0.058
   44    HG   SER   4           HG       SER   4   1.909   2.824  -0.967
   45    H    GLY   5           H        GLY   5  -2.372   3.844   1.735
   46    HA2  GLY   5          2HA       GLY   5  -1.738   5.733   3.462
   47    HA3  GLY   5          3HA       GLY   5  -2.399   6.734   2.177
   48    H    VAL   6           H        VAL   6  -4.259   7.469   3.024
   49    HA   VAL   6           HA       VAL   6  -6.413   5.589   3.397
   50    HB   VAL   6           HB       VAL   6  -5.239   5.741   5.648
   51   HG11  VAL   6          1HG1      VAL   6  -6.630   8.351   6.023
   52   HG12  VAL   6          2HG1      VAL   6  -5.260   7.666   6.901
   53   HG13  VAL   6          3HG1      VAL   6  -5.030   8.330   5.282
   54   HG21  VAL   6          1HG2      VAL   6  -7.969   6.732   6.120
   55   HG22  VAL   6          2HG2      VAL   6  -7.841   5.372   5.005
   56   HG23  VAL   6          3HG2      VAL   6  -7.198   5.234   6.641
   57    H    ILE   7           H        ILE   7  -5.584   7.995   1.783
   58    HA   ILE   7           HA       ILE   7  -7.408  10.088   2.516
   59    HB   ILE   7           HB       ILE   7  -5.510   9.620   0.276
   60   HG12  ILE   7          2HG1      ILE   7  -4.792  11.890   0.882
   61   HG13  ILE   7          3HG1      ILE   7  -6.133  12.018   2.015
   62   HG21  ILE   7          1HG2      ILE   7  -7.958  11.335   0.100
   63   HG22  ILE   7          2HG2      ILE   7  -6.486  11.768  -0.768
   64   HG23  ILE   7          3HG2      ILE   7  -7.283  10.230  -1.097
   65   HD11  ILE   7          1HD1      ILE   7  -3.989  11.532   3.108
   66   HD12  ILE   7          2HD1      ILE   7  -5.193  10.273   3.382
   67   HD13  ILE   7          3HD1      ILE   7  -3.897  10.016   2.213
   68    HA   PRO   8           HA       PRO   8  -9.853   8.474  -1.327
   69    HB2  PRO   8          2HB       PRO   8  -9.084   6.093  -2.382
   70    HB3  PRO   8          3HB       PRO   8  -8.416   7.640  -2.915
   71    HG2  PRO   8          2HG       PRO   8  -7.266   5.637  -1.012
   72    HG3  PRO   8          3HG       PRO   8  -6.459   6.544  -2.304
   73    HD2  PRO   8          2HD       PRO   8  -6.293   7.261   0.302
   74    HD3  PRO   8          3HD       PRO   8  -6.265   8.447  -1.019
   75    H    DBB   9           H        DBB   9  -8.529   5.689   0.472
   76    HA   DBB   9           HA       DBB   9 -11.310   4.962   1.253
   77    HB2  DBB   9          3HB       DBB   9  -8.649   4.676   2.703
   78    HG1  DBB   9          1HG       DBB   9  -9.991   5.870   4.493
   79    HG2  DBB   9          2HG       DBB   9  -9.725   6.829   3.017
   80    HG3  DBB   9          3HG       DBB   9 -11.302   6.054   3.302
   81    H    VAL  10           H        VAL  10  -8.139   3.335   1.249
   82    HA   VAL  10           HA       VAL  10  -9.410   1.090  -0.177
   83    HB   VAL  10           HB       VAL  10  -7.107   0.662  -1.167
   84   HG11  VAL  10          1HG1      VAL  10  -7.712   1.748  -3.071
   85   HG12  VAL  10          2HG1      VAL  10  -9.220   1.927  -2.174
   86   HG13  VAL  10          3HG1      VAL  10  -8.064   3.258  -2.231
   87   HG21  VAL  10          1HG2      VAL  10  -6.423   3.498  -1.019
   88   HG22  VAL  10          2HG2      VAL  10  -6.320   2.662   0.530
   89   HG23  VAL  10          3HG2      VAL  10  -5.396   2.074  -0.852
   90    H    DAL  11           H        DAL  11  -7.669  -0.848  -0.072
   91    HA   DAL  11           HA       DAL  11  -6.319  -1.089   2.499
   92    HB1  DAL  11          2HB       DAL  11  -5.447  -2.151   0.402
   93    HB2  DAL  11          3HB       DAL  11  -5.721  -3.332   1.704
   94    H    HIS  12           H        HIS  12  -7.719  -1.137   4.171
   95    HA   HIS  12           HA       HIS  12 -10.288  -2.215   4.186
   96    HB2  HIS  12          2HB       HIS  12  -8.241  -4.214   4.282
   97    HB3  HIS  12          3HB       HIS  12  -9.074  -4.183   5.833
   98    HD1  HIS  12           HD1      HIS  12  -9.265  -5.777   2.682
   99    HD2  HIS  12           HD2      HIS  12 -12.077  -4.213   5.309
  100    HE1  HIS  12           HE1      HIS  12 -11.444  -6.867   2.060
  101    H    ASP  13           H        ASP  13 -11.325  -1.831   6.114
  102    HA   ASP  13           HA       ASP  13 -11.688  -0.980   8.194
  103    HB2  ASP  13          2HB       ASP  13  -9.922  -2.798   8.732
  104    HB3  ASP  13          3HB       ASP  13  -8.800  -1.449   8.886
  105    H    CYS  14           H        CYS  14 -10.969   0.751   6.072
  106    HA   CYS  14           HA       CYS  14  -9.584   2.891   7.551
  107    HB2  CYS  14          2HB       CYS  14  -8.438   3.548   5.678
  108    HB3  CYS  14          3HB       CYS  14  -8.583   1.829   5.327
  109    H    HIS  15           H        HIS  15 -12.336   1.939   5.675
  110    HA   HIS  15           HA       HIS  15 -14.002   3.950   6.626
  111    HB2  HIS  15          2HB       HIS  15 -12.278   4.945   4.647
  112    HB3  HIS  15          3HB       HIS  15 -13.831   4.724   3.846
  113    HD1  HIS  15           HD1      HIS  15 -15.761   5.565   6.036
  114    HD2  HIS  15           HD2      HIS  15 -12.241   7.601   5.186
  115    HE1  HIS  15           HE1      HIS  15 -16.109   7.900   6.901
  116    H    MET  16           H        MET  16 -15.807   4.321   4.602
  117    HA   MET  16           HA       MET  16 -16.423   1.626   3.613
  118    HB2  MET  16          2HB       MET  16 -18.467   3.442   4.897
  119    HB3  MET  16          3HB       MET  16 -18.719   1.798   4.324
  120    HG2  MET  16          2HG       MET  16 -16.981   1.101   6.043
  121    HG3  MET  16          3HG       MET  16 -17.167   2.719   6.716
  122    HE1  MET  16          1HE       MET  16 -19.252   2.163   9.321
  123    HE2  MET  16          2HE       MET  16 -18.417   0.613   9.219
  124    HE3  MET  16          3HE       MET  16 -17.581   2.097   8.759
  125    H    ASN  17           H        ASN  17 -15.628   2.541   1.603
  126    HA   ASN  17           HA       ASN  17 -17.778   3.834   0.129
  127    HB2  ASN  17          2HB       ASN  17 -16.450   5.734   0.870
  128    HB3  ASN  17          3HB       ASN  17 -14.980   4.977   0.264
  129   HD21  ASN  17          1HD2      ASN  17 -14.745   6.980  -0.922
  130   HD22  ASN  17          2HD2      ASN  17 -15.562   7.168  -2.432
  131    H    DAL  18           H        DAL  18 -14.329   3.325  -0.566
  132    HA   DAL  18           HA       DAL  18 -15.108   1.394  -2.699
  133    HB1  DAL  18          2HB       DAL  18 -12.882   0.371  -2.374
  134    HB2  DAL  18          3HB       DAL  18 -12.507   1.569  -1.113
  135    H    PHE  19           H        PHE  19 -15.371   3.739  -3.652
  136    HA   PHE  19           HA       PHE  19 -14.673   5.273  -5.179
  137    HB2  PHE  19          2HB       PHE  19 -13.225   6.210  -3.538
  138    HB3  PHE  19          3HB       PHE  19 -12.086   4.875  -3.679
  139    HD1  PHE  19           HD1      PHE  19 -13.604   6.460  -6.611
  140    HD2  PHE  19           HD2      PHE  19 -10.189   6.291  -4.075
  141    HE1  PHE  19           HE1      PHE  19 -12.314   7.742  -8.268
  142    HE2  PHE  19           HE2      PHE  19  -8.894   7.573  -5.728
  143    HZ   PHE  19           HZ       PHE  19  -9.956   8.301  -7.827
  144    H    GLN  20           H        GLN  20 -11.595   3.543  -5.066
  145    HA   GLN  20           HA       GLN  20 -11.473   3.246  -7.872
  146    HB2  GLN  20          2HB       GLN  20  -9.918   1.863  -5.681
  147    HB3  GLN  20          3HB       GLN  20  -9.529   1.759  -7.393
  148    HG2  GLN  20          2HG       GLN  20  -9.585   4.304  -5.788
  149    HG3  GLN  20          3HG       GLN  20  -8.135   3.381  -6.181
  150   HE21  GLN  20          1HE2      GLN  20  -7.965   5.835  -6.955
  151   HE22  GLN  20          2HE2      GLN  20  -8.254   6.038  -8.646
  152    H    PHE  21           H        PHE  21 -10.563   0.301  -6.571
  153    HA   PHE  21           HA       PHE  21 -12.121  -1.274  -8.196
  154    HB2  PHE  21          2HB       PHE  21 -11.741  -3.005  -6.194
  155    HB3  PHE  21          3HB       PHE  21 -10.438  -2.514  -7.272
  156    HD1  PHE  21           HD1      PHE  21  -8.565  -1.338  -6.465
  157    HD2  PHE  21           HD2      PHE  21 -11.953  -1.924  -3.956
  158    HE1  PHE  21           HE1      PHE  21  -7.268  -0.539  -4.533
  159    HE2  PHE  21           HE2      PHE  21 -10.661  -1.125  -2.020
  160    HZ   PHE  21           HZ       PHE  21  -8.316  -0.430  -2.307
  161    H    VAL  22           H        VAL  22 -12.813  -0.210  -4.892
  162    HA   VAL  22           HA       VAL  22 -14.706  -0.271  -3.623
  163    HB   VAL  22           HB       VAL  22 -16.192  -0.231  -6.248
  164   HG11  VAL  22          1HG1      VAL  22 -17.640   1.333  -4.727
  165   HG12  VAL  22          2HG1      VAL  22 -17.803  -0.421  -4.618
  166   HG13  VAL  22          3HG1      VAL  22 -16.848   0.453  -3.420
  167   HG21  VAL  22          1HG2      VAL  22 -15.875   2.382  -5.212
  168   HG22  VAL  22          2HG2      VAL  22 -14.276   1.642  -5.277
  169   HG23  VAL  22          3HG2      VAL  22 -15.267   1.729  -6.733
  170    H    PHE  23           H        PHE  23 -13.683  -2.736  -3.798
  171    HA   PHE  23           HA       PHE  23 -15.857  -4.416  -3.257
  172    HB2  PHE  23          2HB       PHE  23 -15.882  -4.192  -5.858
  173    HB3  PHE  23          3HB       PHE  23 -14.515  -5.299  -5.791
  174    HD1  PHE  23           HD1      PHE  23 -14.909  -7.566  -5.818
  175    HD2  PHE  23           HD2      PHE  23 -17.999  -4.942  -4.521
  176    HE1  PHE  23           HE1      PHE  23 -16.458  -9.472  -5.663
  177    HE2  PHE  23           HE2      PHE  23 -19.552  -6.843  -4.363
  178    HZ   PHE  23           HZ       PHE  23 -18.783  -9.112  -4.933
  179    H    DBU  24           H        DBU  24 -12.840  -5.124  -5.008
  180    HB   DBU  24           HB       DBU  24 -10.395  -7.804  -3.821
  181    HG1  DBU  24          1HG       DBU  24 -11.524  -7.289  -6.424
  182    HG2  DBU  24          2HG       DBU  24 -12.794  -8.095  -5.493
  183    HG3  DBU  24          3HG       DBU  24 -11.214  -8.871  -5.698
  184    H    CYS  25           H        CYS  25  -9.910  -4.560  -3.379
  185    HA   CYS  25           HA       CYS  25  -9.425  -5.197  -0.583
  186    HB2  CYS  25          2HB       CYS  25  -7.594  -4.839  -2.334
  187    HB3  CYS  25          3HB       CYS  25  -7.979  -3.124  -2.228
  188    H    CYS  26           H        CYS  26 -11.920  -3.987  -1.103
  189    HA   CYS  26           HA       CYS  26 -11.644  -1.203  -0.281
  190    HB2  CYS  26          2HB       CYS  26 -13.290  -1.967  -2.057
  191    HB3  CYS  26          3HB       CYS  26 -14.208  -2.724  -0.760
  192    H    SER  27           H        SER  27 -12.763  -0.365   1.570
  193    HA   SER  27           HA       SER  27 -12.862  -2.314   3.764
  194    HB2  SER  27          2HB       SER  27 -11.300  -0.499   4.138
  195    HB3  SER  27          3HB       SER  27 -12.549   0.697   3.794
  196    HG   SER  27           HG       SER  27 -13.117  -1.135   5.798
  Start of MODEL   12
    1    H1   LYS   1           H        LYS   1   5.757  -0.308  -3.814
    2    HA   LYS   1           HA       LYS   1   5.141   1.467  -5.148
    3    HB2  LYS   1          2HB       LYS   1   3.314  -0.821  -5.629
    4    HB3  LYS   1          3HB       LYS   1   2.867   0.710  -6.369
    5    HG2  LYS   1          2HG       LYS   1   4.130  -0.136  -8.046
    6    HG3  LYS   1          3HG       LYS   1   5.408   0.658  -7.123
    7    HD2  LYS   1          2HD       LYS   1   6.402  -1.287  -6.663
    8    HD3  LYS   1          3HD       LYS   1   4.880  -2.028  -6.162
    9    HE2  LYS   1          2HE       LYS   1   4.336  -2.605  -8.411
   10    HE3  LYS   1          3HE       LYS   1   5.674  -1.645  -9.043
   11    HZ1  LYS   1          1HZ       LYS   1   5.745  -4.306  -8.520
   12    HZ2  LYS   1          2HZ       LYS   1   6.513  -3.646  -7.165
   13    HZ3  LYS   1          3HZ       LYS   1   7.097  -3.309  -8.717
   14    H    LYS   2           H        LYS   2   4.165   3.400  -5.016
   15    HA   LYS   2           HA       LYS   2   2.796   5.074  -4.311
   16    HB2  LYS   2          2HB       LYS   2   1.069   2.883  -4.942
   17    HB3  LYS   2          3HB       LYS   2   0.434   3.706  -3.523
   18    HG2  LYS   2          2HG       LYS   2  -0.210   5.488  -4.703
   19    HG3  LYS   2          3HG       LYS   2   1.281   5.521  -5.647
   20    HD2  LYS   2          2HD       LYS   2  -0.445   3.251  -6.277
   21    HD3  LYS   2          3HD       LYS   2  -1.200   4.815  -6.592
   22    HE2  LYS   2          2HE       LYS   2   1.562   4.696  -7.497
   23    HE3  LYS   2          3HE       LYS   2   0.547   3.472  -8.259
   24    HZ1  LYS   2          1HZ       LYS   2  -0.135   5.069  -9.617
   25    HZ2  LYS   2          2HZ       LYS   2   0.623   6.279  -8.710
   26    HZ3  LYS   2          3HZ       LYS   2  -0.942   5.778  -8.310
   27    H    LYS   3           H        LYS   3   1.637   5.933  -2.390
   28    HA   LYS   3           HA       LYS   3   2.778   4.761   0.036
   29    HB2  LYS   3          2HB       LYS   3   2.619   7.375  -0.886
   30    HB3  LYS   3          3HB       LYS   3   1.383   7.299   0.363
   31    HG2  LYS   3          2HG       LYS   3   2.894   7.294   1.993
   32    HG3  LYS   3          3HG       LYS   3   3.862   6.048   1.200
   33    HD2  LYS   3          2HD       LYS   3   3.881   8.923   0.311
   34    HD3  LYS   3          3HD       LYS   3   4.974   8.306   1.553
   35    HE2  LYS   3          2HE       LYS   3   4.771   6.897  -1.073
   36    HE3  LYS   3          3HE       LYS   3   5.719   8.378  -0.953
   37    HZ1  LYS   3          1HZ       LYS   3   6.320   5.742   0.009
   38    HZ2  LYS   3          2HZ       LYS   3   6.540   6.934   1.189
   39    HZ3  LYS   3          3HZ       LYS   3   7.357   7.045  -0.288
   40    H    SER   4           H        SER   4   1.160   5.702   1.991
   41    HA   SER   4           HA       SER   4  -1.424   4.396   1.438
   42    HB2  SER   4          2HB       SER   4   0.187   4.383   4.001
   43    HB3  SER   4          3HB       SER   4  -1.431   3.704   3.827
   44    HG   SER   4           HG       SER   4   0.132   2.089   3.569
   45    H    GLY   5           H        GLY   5  -2.146   6.571   0.836
   46    HA2  GLY   5          2HA       GLY   5  -2.430   8.444   3.072
   47    HA3  GLY   5          3HA       GLY   5  -2.749   8.798   1.380
   48    H    VAL   6           H        VAL   6  -4.614   9.714   2.934
   49    HA   VAL   6           HA       VAL   6  -6.834   7.811   2.622
   50    HB   VAL   6           HB       VAL   6  -7.856   8.577   4.692
   51   HG11  VAL   6          1HG1      VAL   6  -5.118   7.901   5.608
   52   HG12  VAL   6          2HG1      VAL   6  -6.671   7.190   6.052
   53   HG13  VAL   6          3HG1      VAL   6  -5.914   6.770   4.515
   54   HG21  VAL   6          1HG2      VAL   6  -7.295  10.629   5.381
   55   HG22  VAL   6          2HG2      VAL   6  -5.902   9.857   6.138
   56   HG23  VAL   6          3HG2      VAL   6  -5.746  10.584   4.539
   57    H    ILE   7           H        ILE   7  -5.720  10.260   1.177
   58    HA   ILE   7           HA       ILE   7  -7.749  12.272   1.470
   59    HB   ILE   7           HB       ILE   7  -6.005  12.110  -0.951
   60   HG12  ILE   7          2HG1      ILE   7  -5.100  12.781   1.851
   61   HG13  ILE   7          3HG1      ILE   7  -4.428  11.570   0.766
   62   HG21  ILE   7          1HG2      ILE   7  -6.090  14.473  -0.873
   63   HG22  ILE   7          2HG2      ILE   7  -7.727  13.908  -0.543
   64   HG23  ILE   7          3HG2      ILE   7  -6.704  14.467   0.780
   65   HD11  ILE   7          1HD1      ILE   7  -4.043  13.735  -0.737
   66   HD12  ILE   7          2HD1      ILE   7  -3.997  14.485   0.859
   67   HD13  ILE   7          3HD1      ILE   7  -2.879  13.179   0.466
   68    HA   PRO   8           HA       PRO   8  -9.149  10.465  -2.806
   69    HB2  PRO   8          2HB       PRO   8  -8.200   8.004  -3.450
   70    HB3  PRO   8          3HB       PRO   8  -7.377   9.500  -3.905
   71    HG2  PRO   8          2HG       PRO   8  -6.807   7.642  -1.629
   72    HG3  PRO   8          3HG       PRO   8  -5.671   8.440  -2.732
   73    HD2  PRO   8          2HD       PRO   8  -6.159   9.355  -0.231
   74    HD3  PRO   8          3HD       PRO   8  -5.761  10.435  -1.583
   75    H    DBB   9           H        DBB   9  -8.408   7.828  -0.516
   76    HA   DBB   9           HA       DBB   9 -11.315   7.303  -0.247
   77    HB2  DBB   9          3HB       DBB   9  -9.085   7.385   1.588
   78    HG1  DBB   9          1HG       DBB   9 -11.593   8.164   1.707
   79    HG2  DBB   9          2HG       DBB   9 -11.899   6.501   2.265
   80    HG3  DBB   9          3HG       DBB   9 -10.805   7.561   3.186
   81    H    VAL  10           H        VAL  10  -8.189   5.627  -0.600
   82    HA   VAL  10           HA       VAL  10  -9.641   3.413  -1.898
   83    HB   VAL  10           HB       VAL  10  -8.268   4.550  -3.523
   84   HG11  VAL  10          1HG1      VAL  10  -6.524   4.945  -1.351
   85   HG12  VAL  10          2HG1      VAL  10  -5.640   3.988  -2.540
   86   HG13  VAL  10          3HG1      VAL  10  -6.349   5.536  -3.003
   87   HG21  VAL  10          1HG2      VAL  10  -7.109   2.710  -4.394
   88   HG22  VAL  10          2HG2      VAL  10  -6.725   2.079  -2.793
   89   HG23  VAL  10          3HG2      VAL  10  -8.379   1.996  -3.400
   90    H    DAL  11           H        DAL  11  -9.094   1.315  -1.383
   91    HA   DAL  11           HA       DAL  11  -6.924   0.792   0.536
   92    HB1  DAL  11          2HB       DAL  11  -8.813  -0.981  -1.064
   93    HB2  DAL  11          3HB       DAL  11  -7.057  -0.782  -1.277
   94    H    HIS  12           H        HIS  12  -7.453  -0.717   2.353
   95    HA   HIS  12           HA       HIS  12 -10.070  -0.029   3.522
   96    HB2  HIS  12          2HB       HIS  12  -9.660  -2.479   2.910
   97    HB3  HIS  12          3HB       HIS  12  -8.485  -2.497   4.222
   98    HD1  HIS  12           HD1      HIS  12 -10.819  -4.360   4.477
   99    HD2  HIS  12           HD2      HIS  12 -10.917  -0.448   5.873
  100    HE1  HIS  12           HE1      HIS  12 -12.612  -4.320   6.240
  101    H    ASP  13           H        ASP  13  -7.900   1.672   3.807
  102    HA   ASP  13           HA       ASP  13  -7.220   1.295   6.650
  103    HB2  ASP  13          2HB       ASP  13  -5.170   1.027   5.487
  104    HB3  ASP  13          3HB       ASP  13  -5.521   2.371   4.404
  105    H    CYS  14           H        CYS  14  -8.031   3.547   4.074
  106    HA   CYS  14           HA       CYS  14  -8.118   5.828   5.834
  107    HB2  CYS  14          2HB       CYS  14  -9.004   7.020   3.857
  108    HB3  CYS  14          3HB       CYS  14  -7.517   6.148   3.497
  109    H    HIS  15           H        HIS  15 -10.390   3.522   4.493
  110    HA   HIS  15           HA       HIS  15 -12.357   4.204   6.458
  111    HB2  HIS  15          2HB       HIS  15 -12.525   5.393   3.805
  112    HB3  HIS  15          3HB       HIS  15 -13.952   4.436   4.193
  113    HD1  HIS  15           HD1      HIS  15 -14.310   5.076   7.144
  114    HD2  HIS  15           HD2      HIS  15 -13.352   7.931   4.281
  115    HE1  HIS  15           HE1      HIS  15 -15.056   7.275   8.110
  116    H    MET  16           H        MET  16 -14.549   2.997   5.702
  117    HA   MET  16           HA       MET  16 -13.755   0.367   4.645
  118    HB2  MET  16          2HB       MET  16 -13.942   0.242   7.086
  119    HB3  MET  16          3HB       MET  16 -15.575   0.890   7.003
  120    HG2  MET  16          2HG       MET  16 -15.674  -1.279   5.315
  121    HG3  MET  16          3HG       MET  16 -14.620  -1.823   6.617
  122    HE1  MET  16          1HE       MET  16 -18.792  -1.708   6.070
  123    HE2  MET  16          2HE       MET  16 -17.380  -2.455   5.322
  124    HE3  MET  16          3HE       MET  16 -18.178  -3.243   6.685
  125    H    ASN  17           H        ASN  17 -14.634   1.270   2.640
  126    HA   ASN  17           HA       ASN  17 -17.312   0.427   2.215
  127    HB2  ASN  17          2HB       ASN  17 -17.058   3.077   3.109
  128    HB3  ASN  17          3HB       ASN  17 -17.334   3.193   1.373
  129   HD21  ASN  17          1HD2      ASN  17 -19.386   3.574   0.996
  130   HD22  ASN  17          2HD2      ASN  17 -20.726   2.826   1.790
  131    H    DAL  18           H        DAL  18 -14.693   2.491   1.007
  132    HA   DAL  18           HA       DAL  18 -14.519   0.952  -1.458
  133    HB1  DAL  18          2HB       DAL  18 -12.401   1.638  -0.759
  134    HB2  DAL  18          3HB       DAL  18 -12.798   2.928  -1.919
  135    H    PHE  19           H        PHE  19 -14.471   2.094  -3.563
  136    HA   PHE  19           HA       PHE  19 -16.893   3.358  -4.102
  137    HB2  PHE  19          2HB       PHE  19 -16.313   5.385  -3.157
  138    HB3  PHE  19          3HB       PHE  19 -14.605   5.195  -3.537
  139    HD1  PHE  19           HD1      PHE  19 -17.881   5.591  -5.277
  140    HD2  PHE  19           HD2      PHE  19 -13.721   6.490  -5.212
  141    HE1  PHE  19           HE1      PHE  19 -18.165   7.035  -7.249
  142    HE2  PHE  19           HE2      PHE  19 -13.999   7.936  -7.183
  143    HZ   PHE  19           HZ       PHE  19 -16.223   8.211  -8.203
  144    H    GLN  20           H        GLN  20 -13.603   4.055  -5.287
  145    HA   GLN  20           HA       GLN  20 -13.908   4.191  -7.919
  146    HB2  GLN  20          2HB       GLN  20 -11.768   2.555  -7.968
  147    HB3  GLN  20          3HB       GLN  20 -11.687   4.241  -7.475
  148    HG2  GLN  20          2HG       GLN  20 -12.324   2.284  -5.361
  149    HG3  GLN  20          3HG       GLN  20 -10.692   2.231  -6.025
  150   HE21  GLN  20          1HE2      GLN  20 -12.635   3.610  -3.730
  151   HE22  GLN  20          2HE2      GLN  20 -11.669   4.987  -3.337
  152    H    PHE  21           H        PHE  21 -13.329   0.994  -6.440
  153    HA   PHE  21           HA       PHE  21 -14.877  -0.192  -8.647
  154    HB2  PHE  21          2HB       PHE  21 -13.489  -2.280  -7.514
  155    HB3  PHE  21          3HB       PHE  21 -12.996  -1.391  -8.951
  156    HD1  PHE  21           HD1      PHE  21 -11.059  -0.061  -8.953
  157    HD2  PHE  21           HD2      PHE  21 -12.573  -1.603  -5.286
  158    HE1  PHE  21           HE1      PHE  21  -8.998   0.644  -7.810
  159    HE2  PHE  21           HE2      PHE  21 -10.514  -0.900  -4.137
  160    HZ   PHE  21           HZ       PHE  21  -8.724   0.226  -5.398
  161    H    VAL  22           H        VAL  22 -14.170  -0.497  -5.181
  162    HA   VAL  22           HA       VAL  22 -15.430  -1.223  -3.429
  163    HB   VAL  22           HB       VAL  22 -17.768  -0.976  -5.327
  164   HG11  VAL  22          1HG1      VAL  22 -17.628  -1.098  -2.317
  165   HG12  VAL  22          2HG1      VAL  22 -19.081  -0.717  -3.244
  166   HG13  VAL  22          3HG1      VAL  22 -18.329  -2.306  -3.394
  167   HG21  VAL  22          1HG2      VAL  22 -17.878   1.249  -4.922
  168   HG22  VAL  22          2HG2      VAL  22 -17.232   1.096  -3.289
  169   HG23  VAL  22          3HG2      VAL  22 -16.142   1.057  -4.675
  170    H    PHE  23           H        PHE  23 -14.391  -3.273  -3.543
  171    HA   PHE  23           HA       PHE  23 -16.146  -5.463  -3.636
  172    HB2  PHE  23          2HB       PHE  23 -15.639  -4.850  -6.156
  173    HB3  PHE  23          3HB       PHE  23 -14.148  -5.732  -5.843
  174    HD1  PHE  23           HD1      PHE  23 -17.722  -6.246  -4.893
  175    HD2  PHE  23           HD2      PHE  23 -14.225  -7.844  -6.720
  176    HE1  PHE  23           HE1      PHE  23 -18.902  -8.370  -5.287
  177    HE2  PHE  23           HE2      PHE  23 -15.400  -9.969  -7.117
  178    HZ   PHE  23           HZ       PHE  23 -17.741 -10.234  -6.401
  179    H    DBU  24           H        DBU  24 -12.749  -5.132  -4.663
  180    HB   DBU  24           HB       DBU  24 -10.138  -7.528  -3.096
  181    HG1  DBU  24          1HG       DBU  24 -12.297  -8.294  -5.030
  182    HG2  DBU  24          2HG       DBU  24 -10.646  -8.910  -4.880
  183    HG3  DBU  24          3HG       DBU  24 -10.959  -7.417  -5.782
  184    H    CYS  25           H        CYS  25  -9.870  -4.507  -2.936
  185    HA   CYS  25           HA       CYS  25  -9.699  -4.701  -0.071
  186    HB2  CYS  25          2HB       CYS  25  -7.666  -4.367  -1.350
  187    HB3  CYS  25          3HB       CYS  25  -8.308  -2.885  -2.050
  188    H    CYS  26           H        CYS  26 -11.414  -2.766  -2.318
  189    HA   CYS  26           HA       CYS  26 -11.776  -0.501  -0.578
  190    HB2  CYS  26          2HB       CYS  26 -12.349  -1.161  -3.322
  191    HB3  CYS  26          3HB       CYS  26 -13.791  -0.507  -2.552
  192    H    SER  27           H        SER  27 -12.630  -1.375   1.326
  193    HA   SER  27           HA       SER  27 -15.489  -1.674   1.314
  194    HB2  SER  27          2HB       SER  27 -15.384  -3.894   2.553
  195    HB3  SER  27          3HB       SER  27 -15.032  -3.961   0.826
  196    HG   SER  27           HG       SER  27 -13.312  -4.974   1.524
  Start of MODEL   13
    1    H1   LYS   1           H        LYS   1  -1.453  -2.628  -6.822
    2    HA   LYS   1           HA       LYS   1  -0.186  -2.443  -4.924
    3    HB2  LYS   1          2HB       LYS   1   2.159  -1.933  -5.352
    4    HB3  LYS   1          3HB       LYS   1   1.505  -2.933  -6.642
    5    HG2  LYS   1          2HG       LYS   1   1.083  -0.383  -7.572
    6    HG3  LYS   1          3HG       LYS   1   2.635  -0.256  -6.742
    7    HD2  LYS   1          2HD       LYS   1   3.666  -1.753  -8.156
    8    HD3  LYS   1          3HD       LYS   1   2.153  -2.562  -8.574
    9    HE2  LYS   1          2HE       LYS   1   1.783  -1.197 -10.306
   10    HE3  LYS   1          3HE       LYS   1   2.206   0.238  -9.374
   11    HZ1  LYS   1          1HZ       LYS   1   4.550  -0.275  -9.746
   12    HZ2  LYS   1          2HZ       LYS   1   3.727  -0.064 -11.208
   13    HZ3  LYS   1          3HZ       LYS   1   4.121  -1.621 -10.678
   14    H    LYS   2           H        LYS   2  -1.931  -0.131  -5.565
   15    HA   LYS   2           HA       LYS   2  -0.575   2.263  -4.846
   16    HB2  LYS   2          2HB       LYS   2  -3.492   1.495  -4.892
   17    HB3  LYS   2          3HB       LYS   2  -2.943   3.097  -4.419
   18    HG2  LYS   2          2HG       LYS   2  -3.205   3.587  -6.582
   19    HG3  LYS   2          3HG       LYS   2  -1.650   2.775  -6.784
   20    HD2  LYS   2          2HD       LYS   2  -2.967   1.730  -8.377
   21    HD3  LYS   2          3HD       LYS   2  -3.089   0.625  -7.005
   22    HE2  LYS   2          2HE       LYS   2  -5.288   0.952  -6.827
   23    HE3  LYS   2          3HE       LYS   2  -5.107   2.704  -6.909
   24    HZ1  LYS   2          1HZ       LYS   2  -5.881   0.857  -8.955
   25    HZ2  LYS   2          2HZ       LYS   2  -4.628   1.876  -9.456
   26    HZ3  LYS   2          3HZ       LYS   2  -6.079   2.536  -8.888
   27    H    LYS   3           H        LYS   3   0.119   2.876  -2.915
   28    HA   LYS   3           HA       LYS   3  -1.076   1.625  -0.530
   29    HB2  LYS   3          2HB       LYS   3   1.741   2.544  -1.081
   30    HB3  LYS   3          3HB       LYS   3   1.158   2.243   0.551
   31    HG2  LYS   3          2HG       LYS   3   0.535  -0.077  -0.245
   32    HG3  LYS   3          3HG       LYS   3   1.470   0.280  -1.699
   33    HD2  LYS   3          2HD       LYS   3   3.191   1.023   0.296
   34    HD3  LYS   3          3HD       LYS   3   2.372  -0.369   1.009
   35    HE2  LYS   3          2HE       LYS   3   2.916  -1.157  -1.593
   36    HE3  LYS   3          3HE       LYS   3   4.353  -0.258  -1.109
   37    HZ1  LYS   3          1HZ       LYS   3   3.742  -2.862  -0.471
   38    HZ2  LYS   3          2HZ       LYS   3   3.493  -2.001   0.963
   39    HZ3  LYS   3          3HZ       LYS   3   4.992  -1.926   0.182
   40    H    SER   4           H        SER   4   0.762   4.563  -1.392
   41    HA   SER   4           HA       SER   4  -0.315   6.090   0.743
   42    HB2  SER   4          2HB       SER   4   1.043   7.019  -1.799
   43    HB3  SER   4          3HB       SER   4   0.752   8.014  -0.373
   44    HG   SER   4           HG       SER   4   2.381   7.093   0.602
   45    H    GLY   5           H        GLY   5  -1.852   7.744   0.721
   46    HA2  GLY   5          2HA       GLY   5  -3.281   9.119  -0.881
   47    HA3  GLY   5          3HA       GLY   5  -3.773   7.553  -1.510
   48    H    VAL   6           H        VAL   6  -4.532   9.995   0.631
   49    HA   VAL   6           HA       VAL   6  -6.567   8.306   1.894
   50    HB   VAL   6           HB       VAL   6  -6.199   9.596   4.048
   51   HG11  VAL   6          1HG1      VAL   6  -3.734   8.045   3.706
   52   HG12  VAL   6          2HG1      VAL   6  -5.070   7.823   4.837
   53   HG13  VAL   6          3HG1      VAL   6  -5.201   7.217   3.186
   54   HG21  VAL   6          1HG2      VAL   6  -4.617  11.216   2.708
   55   HG22  VAL   6          2HG2      VAL   6  -4.321  10.860   4.410
   56   HG23  VAL   6          3HG2      VAL   6  -3.390  10.033   3.162
   57    H    ILE   7           H        ILE   7  -6.471  10.399  -0.242
   58    HA   ILE   7           HA       ILE   7  -7.771  12.716   0.850
   59    HB   ILE   7           HB       ILE   7  -7.899  12.011  -2.055
   60   HG12  ILE   7          2HG1      ILE   7  -5.452  12.922  -0.536
   61   HG13  ILE   7          3HG1      ILE   7  -5.619  11.479  -1.532
   62   HG21  ILE   7          1HG2      ILE   7  -8.137  14.252  -2.393
   63   HG22  ILE   7          2HG2      ILE   7  -8.822  14.133  -0.773
   64   HG23  ILE   7          3HG2      ILE   7  -7.160  14.681  -0.989
   65   HD11  ILE   7          1HD1      ILE   7  -4.523  12.786  -3.009
   66   HD12  ILE   7          2HD1      ILE   7  -6.164  13.319  -3.376
   67   HD13  ILE   7          3HD1      ILE   7  -5.140  14.284  -2.313
   68    HA   PRO   8           HA       PRO   8 -11.617  10.688  -1.296
   69    HB2  PRO   8          2HB       PRO   8 -11.408   8.053  -1.917
   70    HB3  PRO   8          3HB       PRO   8 -10.965   9.344  -3.041
   71    HG2  PRO   8          2HG       PRO   8  -9.207   7.683  -1.277
   72    HG3  PRO   8          3HG       PRO   8  -8.961   8.167  -2.965
   73    HD2  PRO   8          2HD       PRO   8  -7.741   9.420  -0.897
   74    HD3  PRO   8          3HD       PRO   8  -8.210  10.268  -2.385
   75    H    DBB   9           H        DBB   9  -9.766   8.227   0.509
   76    HA   DBB   9           HA       DBB   9 -12.073   7.961   2.377
   77    HB2  DBB   9          3HB       DBB   9  -9.113   7.681   3.053
   78    HG1  DBB   9          1HG       DBB   9 -11.031   9.978   3.644
   79    HG2  DBB   9          2HG       DBB   9  -9.326   9.870   4.145
   80    HG3  DBB   9          3HG       DBB   9  -9.739  10.020   2.420
   81    H    VAL  10           H        VAL  10  -9.243   6.408   0.909
   82    HA   VAL  10           HA       VAL  10 -10.681   3.855   1.011
   83    HB   VAL  10           HB       VAL  10  -9.197   3.074  -0.718
   84   HG11  VAL  10          1HG1      VAL  10 -10.905   5.334  -0.996
   85   HG12  VAL  10          2HG1      VAL  10  -9.549   5.513  -2.111
   86   HG13  VAL  10          3HG1      VAL  10 -10.554   4.064  -2.168
   87   HG21  VAL  10          1HG2      VAL  10  -7.090   3.912  -0.264
   88   HG22  VAL  10          2HG2      VAL  10  -7.559   4.846  -1.683
   89   HG23  VAL  10          3HG2      VAL  10  -7.673   5.566  -0.077
   90    H    DAL  11           H        DAL  11  -8.732   2.018   0.840
   91    HA   DAL  11           HA       DAL  11  -7.056   2.410   3.272
   92    HB1  DAL  11          2HB       DAL  11  -5.889   2.006   1.030
   93    HB2  DAL  11          3HB       DAL  11  -5.479   0.857   2.326
   94    H    HIS  12           H        HIS  12  -7.892   1.402   4.962
   95    HA   HIS  12           HA       HIS  12  -9.887  -0.612   4.761
   96    HB2  HIS  12          2HB       HIS  12  -8.571  -2.440   5.844
   97    HB3  HIS  12          3HB       HIS  12  -8.055  -2.075   4.200
   98    HD1  HIS  12           HD1      HIS  12  -6.981  -1.588   7.783
   99    HD2  HIS  12           HD2      HIS  12  -5.429  -1.294   3.941
  100    HE1  HIS  12           HE1      HIS  12  -4.509  -1.240   8.082
  101    H    ASP  13           H        ASP  13  -9.293   1.930   6.110
  102    HA   ASP  13           HA       ASP  13 -10.529   1.474   8.557
  103    HB2  ASP  13          2HB       ASP  13  -7.873   0.672   8.693
  104    HB3  ASP  13          3HB       ASP  13  -7.861   2.283   9.406
  105    H    CYS  14           H        CYS  14 -10.488   3.318   6.339
  106    HA   CYS  14           HA       CYS  14  -9.612   5.835   7.543
  107    HB2  CYS  14          2HB       CYS  14  -8.968   5.596   5.250
  108    HB3  CYS  14          3HB       CYS  14 -10.599   5.129   4.778
  109    H    HIS  15           H        HIS  15 -12.537   4.512   5.991
  110    HA   HIS  15           HA       HIS  15 -14.298   5.423   7.979
  111    HB2  HIS  15          2HB       HIS  15 -15.251   7.371   7.103
  112    HB3  HIS  15          3HB       HIS  15 -13.527   7.615   6.841
  113    HD1  HIS  15           HD1      HIS  15 -16.607   7.997   5.148
  114    HD2  HIS  15           HD2      HIS  15 -12.843   6.637   4.032
  115    HE1  HIS  15           HE1      HIS  15 -16.542   8.180   2.641
  116    H    MET  16           H        MET  16 -13.786   4.557   4.619
  117    HA   MET  16           HA       MET  16 -16.432   3.264   4.588
  118    HB2  MET  16          2HB       MET  16 -14.939   4.790   2.580
  119    HB3  MET  16          3HB       MET  16 -15.586   3.272   1.972
  120    HG2  MET  16          2HG       MET  16 -17.298   5.213   3.479
  121    HG3  MET  16          3HG       MET  16 -17.019   5.371   1.747
  122    HE1  MET  16          1HE       MET  16 -20.173   4.809   1.477
  123    HE2  MET  16          2HE       MET  16 -18.707   5.085   0.537
  124    HE3  MET  16          3HE       MET  16 -19.666   3.629   0.269
  125    H    ASN  17           H        ASN  17 -16.536   1.249   3.261
  126    HA   ASN  17           HA       ASN  17 -14.299  -0.468   3.983
  127    HB2  ASN  17          2HB       ASN  17 -16.930  -1.268   2.728
  128    HB3  ASN  17          3HB       ASN  17 -15.778  -2.316   3.549
  129   HD21  ASN  17          1HD2      ASN  17 -18.681  -1.079   3.906
  130   HD22  ASN  17          2HD2      ASN  17 -18.739  -0.834   5.616
  131    H    DAL  18           H        DAL  18 -13.518   1.233   2.025
  132    HA   DAL  18           HA       DAL  18 -13.406  -0.497  -0.399
  133    HB1  DAL  18          2HB       DAL  18 -11.183  -0.497   0.167
  134    HB2  DAL  18          3HB       DAL  18 -11.200   1.108  -0.601
  135    H    PHE  19           H        PHE  19 -15.031   0.459  -1.558
  136    HA   PHE  19           HA       PHE  19 -16.077   1.989  -2.876
  137    HB2  PHE  19          2HB       PHE  19 -16.325   3.222  -0.721
  138    HB3  PHE  19          3HB       PHE  19 -14.817   4.061  -1.069
  139    HD1  PHE  19           HD1      PHE  19 -18.110   3.358  -2.673
  140    HD2  PHE  19           HD2      PHE  19 -14.940   6.129  -2.053
  141    HE1  PHE  19           HE1      PHE  19 -19.358   5.062  -3.936
  142    HE2  PHE  19           HE2      PHE  19 -16.183   7.838  -3.313
  143    HZ   PHE  19           HZ       PHE  19 -18.395   7.306  -4.256
  144    H    GLN  20           H        GLN  20 -15.652   3.852  -4.402
  145    HA   GLN  20           HA       GLN  20 -14.379   4.933  -5.963
  146    HB2  GLN  20          2HB       GLN  20 -11.924   3.948  -4.514
  147    HB3  GLN  20          3HB       GLN  20 -12.046   5.313  -5.617
  148    HG2  GLN  20          2HG       GLN  20 -13.443   5.172  -2.958
  149    HG3  GLN  20          3HG       GLN  20 -11.870   5.926  -3.213
  150   HE21  GLN  20          1HE2      GLN  20 -13.295   7.697  -2.246
  151   HE22  GLN  20          2HE2      GLN  20 -14.079   8.737  -3.381
  152    H    PHE  21           H        PHE  21 -12.357   2.135  -5.073
  153    HA   PHE  21           HA       PHE  21 -12.650   1.176  -7.843
  154    HB2  PHE  21          2HB       PHE  21 -10.428  -0.112  -6.937
  155    HB3  PHE  21          3HB       PHE  21 -10.400   1.404  -7.831
  156    HD1  PHE  21           HD1      PHE  21  -9.946  -0.186  -4.587
  157    HD2  PHE  21           HD2      PHE  21 -10.001   3.515  -6.688
  158    HE1  PHE  21           HE1      PHE  21  -8.825   0.904  -2.688
  159    HE2  PHE  21           HE2      PHE  21  -8.879   4.611  -4.792
  160    HZ   PHE  21           HZ       PHE  21  -8.289   3.306  -2.789
  161    H    VAL  22           H        VAL  22 -12.938   0.404  -4.486
  162    HA   VAL  22           HA       VAL  22 -13.396  -1.566  -3.374
  163    HB   VAL  22           HB       VAL  22 -15.513  -2.576  -4.114
  164   HG11  VAL  22          1HG1      VAL  22 -16.800  -0.308  -4.275
  165   HG12  VAL  22          2HG1      VAL  22 -15.928  -0.729  -2.800
  166   HG13  VAL  22          3HG1      VAL  22 -15.212   0.390  -3.961
  167   HG21  VAL  22          1HG2      VAL  22 -15.444  -0.692  -6.458
  168   HG22  VAL  22          2HG2      VAL  22 -14.935  -2.376  -6.573
  169   HG23  VAL  22          3HG2      VAL  22 -16.597  -1.985  -6.130
  170    H    PHE  23           H        PHE  23 -11.203  -2.022  -4.977
  171    HA   PHE  23           HA       PHE  23 -11.553  -4.850  -5.574
  172    HB2  PHE  23          2HB       PHE  23 -11.829  -3.336  -7.691
  173    HB3  PHE  23          3HB       PHE  23 -10.077  -3.196  -7.592
  174    HD1  PHE  23           HD1      PHE  23 -12.543  -5.974  -7.202
  175    HD2  PHE  23           HD2      PHE  23  -8.990  -4.559  -9.070
  176    HE1  PHE  23           HE1      PHE  23 -12.311  -8.122  -8.379
  177    HE2  PHE  23           HE2      PHE  23  -8.752  -6.704 -10.251
  178    HZ   PHE  23           HZ       PHE  23 -10.414  -8.489  -9.907
  179    H    DBU  24           H        DBU  24  -9.010  -2.449  -6.244
  180    HB   DBU  24           HB       DBU  24  -5.338  -3.180  -5.446
  181    HG1  DBU  24          1HG       DBU  24  -6.564  -2.294  -7.893
  182    HG2  DBU  24          2HG       DBU  24  -6.911  -4.025  -7.787
  183    HG3  DBU  24          3HG       DBU  24  -5.235  -3.449  -7.738
  184    H    CYS  25           H        CYS  25  -7.556  -1.136  -3.671
  185    HA   CYS  25           HA       CYS  25  -6.478  -2.505  -1.337
  186    HB2  CYS  25          2HB       CYS  25  -5.747  -0.180  -2.090
  187    HB3  CYS  25          3HB       CYS  25  -7.309   0.390  -1.512
  188    H    CYS  26           H        CYS  26  -9.068  -3.312  -2.219
  189    HA   CYS  26           HA       CYS  26 -10.582  -2.683   0.207
  190    HB2  CYS  26          2HB       CYS  26 -11.934  -2.768  -2.488
  191    HB3  CYS  26          3HB       CYS  26 -12.609  -2.236  -0.950
  192    H    SER  27           H        SER  27 -10.110  -4.733   0.993
  193    HA   SER  27           HA       SER  27 -10.744  -7.076  -0.583
  194    HB2  SER  27          2HB       SER  27  -9.798  -8.345   1.181
  195    HB3  SER  27          3HB       SER  27  -8.812  -6.886   1.086
  196    HG   SER  27           HG       SER  27  -9.339  -6.522   3.075
  Start of MODEL   14
    1    H1   LYS   1           H        LYS   1   3.442   1.595  -7.559
    2    HA   LYS   1           HA       LYS   1   3.188  -0.755  -6.505
    3    HB2  LYS   1          2HB       LYS   1   4.036   0.078  -4.270
    4    HB3  LYS   1          3HB       LYS   1   4.955   0.595  -5.677
    5    HG2  LYS   1          2HG       LYS   1   4.175   2.781  -5.539
    6    HG3  LYS   1          3HG       LYS   1   2.804   2.328  -4.525
    7    HD2  LYS   1          2HD       LYS   1   4.034   2.957  -2.774
    8    HD3  LYS   1          3HD       LYS   1   5.029   1.529  -3.068
    9    HE2  LYS   1          2HE       LYS   1   6.508   2.824  -4.490
   10    HE3  LYS   1          3HE       LYS   1   5.486   4.246  -4.296
   11    HZ1  LYS   1          1HZ       LYS   1   7.618   3.500  -2.714
   12    HZ2  LYS   1          2HZ       LYS   1   6.245   3.208  -1.770
   13    HZ3  LYS   1          3HZ       LYS   1   6.515   4.748  -2.415
   14    H    LYS   2           H        LYS   2   0.501   0.259  -6.904
   15    HA   LYS   2           HA       LYS   2  -1.587   0.151  -5.999
   16    HB2  LYS   2          2HB       LYS   2  -0.205  -1.836  -4.186
   17    HB3  LYS   2          3HB       LYS   2  -1.947  -1.667  -4.355
   18    HG2  LYS   2          2HG       LYS   2  -1.705  -3.325  -5.844
   19    HG3  LYS   2          3HG       LYS   2  -1.244  -2.016  -6.935
   20    HD2  LYS   2          2HD       LYS   2   1.146  -2.447  -5.962
   21    HD3  LYS   2          3HD       LYS   2   0.473  -4.023  -5.540
   22    HE2  LYS   2          2HE       LYS   2  -0.274  -3.412  -8.216
   23    HE3  LYS   2          3HE       LYS   2   1.458  -3.132  -8.047
   24    HZ1  LYS   2          1HZ       LYS   2  -0.032  -5.614  -7.952
   25    HZ2  LYS   2          2HZ       LYS   2   1.182  -5.467  -6.784
   26    HZ3  LYS   2          3HZ       LYS   2   1.567  -5.327  -8.425
   27    H    LYS   3           H        LYS   3  -0.683   2.420  -5.220
   28    HA   LYS   3           HA       LYS   3  -1.834   2.866  -2.664
   29    HB2  LYS   3          2HB       LYS   3   1.043   2.412  -2.792
   30    HB3  LYS   3          3HB       LYS   3   0.644   3.979  -2.100
   31    HG2  LYS   3          2HG       LYS   3  -1.107   2.223  -0.862
   32    HG3  LYS   3          3HG       LYS   3   0.417   1.337  -0.952
   33    HD2  LYS   3          2HD       LYS   3   1.567   2.971   0.276
   34    HD3  LYS   3          3HD       LYS   3   0.303   4.176   0.022
   35    HE2  LYS   3          2HE       LYS   3  -0.809   3.509   1.834
   36    HE3  LYS   3          3HE       LYS   3  -0.722   1.817   1.347
   37    HZ1  LYS   3          1HZ       LYS   3   0.490   2.769   3.499
   38    HZ2  LYS   3          2HZ       LYS   3   1.733   2.990   2.374
   39    HZ3  LYS   3          3HZ       LYS   3   1.083   1.449   2.623
   40    H    SER   4           H        SER   4  -3.031   4.482  -3.538
   41    HA   SER   4           HA       SER   4  -1.658   6.637  -4.970
   42    HB2  SER   4          2HB       SER   4  -4.639   6.326  -4.598
   43    HB3  SER   4          3HB       SER   4  -3.793   7.296  -5.803
   44    HG   SER   4           HG       SER   4  -4.653   4.869  -6.110
   45    H    GLY   5           H        GLY   5  -3.976   6.184  -2.304
   46    HA2  GLY   5          2HA       GLY   5  -2.752   8.086  -0.628
   47    HA3  GLY   5          3HA       GLY   5  -4.081   8.861  -1.478
   48    H    VAL   6           H        VAL   6  -4.956   9.153   0.698
   49    HA   VAL   6           HA       VAL   6  -6.591   6.842   1.452
   50    HB   VAL   6           HB       VAL   6  -6.239   7.475   3.885
   51   HG11  VAL   6          1HG1      VAL   6  -4.220   6.129   4.092
   52   HG12  VAL   6          2HG1      VAL   6  -5.297   5.453   2.868
   53   HG13  VAL   6          3HG1      VAL   6  -3.870   6.368   2.380
   54   HG21  VAL   6          1HG2      VAL   6  -4.450   8.800   4.544
   55   HG22  VAL   6          2HG2      VAL   6  -3.646   8.670   2.980
   56   HG23  VAL   6          3HG2      VAL   6  -5.087   9.673   3.151
   57    H    ILE   7           H        ILE   7  -7.015   9.446   0.058
   58    HA   ILE   7           HA       ILE   7  -8.536  11.087   1.856
   59    HB   ILE   7           HB       ILE   7  -8.834  11.242  -1.117
   60   HG12  ILE   7          2HG1      ILE   7  -6.418  12.081   0.491
   61   HG13  ILE   7          3HG1      ILE   7  -6.460  10.983  -0.884
   62   HG21  ILE   7          1HG2      ILE   7  -9.498  13.375  -0.747
   63   HG22  ILE   7          2HG2      ILE   7  -9.897  12.719   0.840
   64   HG23  ILE   7          3HG2      ILE   7  -8.389  13.603   0.605
   65   HD11  ILE   7          1HD1      ILE   7  -5.777  12.788  -2.016
   66   HD12  ILE   7          2HD1      ILE   7  -7.488  13.218  -1.995
   67   HD13  ILE   7          3HD1      ILE   7  -6.389  13.911  -0.803
   68    HA   PRO   8           HA       PRO   8 -12.224   9.140  -0.619
   69    HB2  PRO   8          2HB       PRO   8 -11.682   6.875  -2.014
   70    HB3  PRO   8          3HB       PRO   8 -11.547   8.491  -2.717
   71    HG2  PRO   8          2HG       PRO   8  -9.400   6.718  -1.619
   72    HG3  PRO   8          3HG       PRO   8  -9.391   7.704  -3.092
   73    HD2  PRO   8          2HD       PRO   8  -8.180   8.494  -0.803
   74    HD3  PRO   8          3HD       PRO   8  -8.912   9.643  -1.942
   75    H    DBB   9           H        DBB   9  -9.869   6.601   0.253
   76    HA   DBB   9           HA       DBB   9 -11.949   5.331   1.959
   77    HB2  DBB   9          3HB       DBB   9  -9.050   5.971   2.641
   78    HG1  DBB   9          1HG       DBB   9 -11.362   7.422   3.047
   79    HG2  DBB   9          2HG       DBB   9 -11.259   6.477   4.552
   80    HG3  DBB   9          3HG       DBB   9  -9.908   7.530   4.068
   81    H    VAL  10           H        VAL  10  -8.528   4.683   1.224
   82    HA   VAL  10           HA       VAL  10  -9.347   2.213  -0.142
   83    HB   VAL  10           HB       VAL  10  -6.511   2.854  -0.294
   84   HG11  VAL  10          1HG1      VAL  10  -8.176   2.862  -2.715
   85   HG12  VAL  10          2HG1      VAL  10  -6.725   1.933  -2.335
   86   HG13  VAL  10          3HG1      VAL  10  -8.296   1.405  -1.730
   87   HG21  VAL  10          1HG2      VAL  10  -8.516   4.885  -1.251
   88   HG22  VAL  10          2HG2      VAL  10  -7.136   5.142  -0.183
   89   HG23  VAL  10          3HG2      VAL  10  -6.875   4.773  -1.888
   90    H    DAL  11           H        DAL  11  -7.090   0.716   0.023
   91    HA   DAL  11           HA       DAL  11  -5.794   0.456   2.499
   92    HB1  DAL  11          2HB       DAL  11  -4.985  -1.542   1.659
   93    HB2  DAL  11          3HB       DAL  11  -6.571  -2.037   1.023
   94    H    HIS  12           H        HIS  12  -6.699   0.211   4.420
   95    HA   HIS  12           HA       HIS  12  -9.365  -0.535   4.868
   96    HB2  HIS  12          2HB       HIS  12  -8.142  -2.763   4.183
   97    HB3  HIS  12          3HB       HIS  12  -7.565  -2.717   5.846
   98    HD1  HIS  12           HD1      HIS  12  -9.052  -5.012   5.891
   99    HD2  HIS  12           HD2      HIS  12 -11.118  -1.412   5.707
  100    HE1  HIS  12           HE1      HIS  12 -11.400  -5.546   6.617
  101    H    ASP  13           H        ASP  13  -8.011   1.556   5.798
  102    HA   ASP  13           HA       ASP  13  -8.356   1.434   8.572
  103    HB2  ASP  13          2HB       ASP  13  -6.070   0.152   8.034
  104    HB3  ASP  13          3HB       ASP  13  -5.446   1.799   8.075
  105    H    CYS  14           H        CYS  14  -9.367   3.203   6.948
  106    HA   CYS  14           HA       CYS  14  -7.894   5.664   7.560
  107    HB2  CYS  14          2HB       CYS  14  -8.688   6.550   5.299
  108    HB3  CYS  14          3HB       CYS  14  -7.358   5.396   5.274
  109    H    HIS  15           H        HIS  15 -10.957   4.259   6.443
  110    HA   HIS  15           HA       HIS  15 -12.576   5.336   8.385
  111    HB2  HIS  15          2HB       HIS  15 -12.376   7.555   7.876
  112    HB3  HIS  15          3HB       HIS  15 -11.977   7.243   6.189
  113    HD1  HIS  15           HD1      HIS  15 -14.952   7.477   8.499
  114    HD2  HIS  15           HD2      HIS  15 -14.088   7.411   4.435
  115    HE1  HIS  15           HE1      HIS  15 -17.114   8.038   7.343
  116    H    MET  16           H        MET  16 -12.713   5.240   4.817
  117    HA   MET  16           HA       MET  16 -15.309   3.991   4.874
  118    HB2  MET  16          2HB       MET  16 -13.681   5.350   2.941
  119    HB3  MET  16          3HB       MET  16 -14.191   3.801   2.282
  120    HG2  MET  16          2HG       MET  16 -16.318   5.309   3.611
  121    HG3  MET  16          3HG       MET  16 -15.638   6.095   2.188
  122    HE1  MET  16          1HE       MET  16 -18.583   4.756   0.253
  123    HE2  MET  16          2HE       MET  16 -18.652   5.502   1.849
  124    HE3  MET  16          3HE       MET  16 -17.515   6.105   0.642
  125    H    ASN  17           H        ASN  17 -15.317   2.139   2.926
  126    HA   ASN  17           HA       ASN  17 -13.227   0.185   3.400
  127    HB2  ASN  17          2HB       ASN  17 -14.884  -1.577   4.055
  128    HB3  ASN  17          3HB       ASN  17 -14.666  -0.315   5.264
  129   HD21  ASN  17          1HD2      ASN  17 -16.746  -1.198   6.004
  130   HD22  ASN  17          2HD2      ASN  17 -18.196  -0.560   5.314
  131    H    DAL  18           H        DAL  18 -13.347   1.177   1.063
  132    HA   DAL  18           HA       DAL  18 -15.025  -0.628  -0.614
  133    HB1  DAL  18          2HB       DAL  18 -13.043  -0.282  -2.285
  134    HB2  DAL  18          3HB       DAL  18 -12.127   0.234  -0.849
  135    H    PHE  19           H        PHE  19 -16.314   0.377  -2.003
  136    HA   PHE  19           HA       PHE  19 -17.366   2.033  -3.155
  137    HB2  PHE  19          2HB       PHE  19 -17.265   3.247  -0.993
  138    HB3  PHE  19          3HB       PHE  19 -15.704   3.913  -1.463
  139    HD1  PHE  19           HD1      PHE  19 -16.367   6.201  -1.347
  140    HD2  PHE  19           HD2      PHE  19 -18.488   3.458  -3.815
  141    HE1  PHE  19           HE1      PHE  19 -17.504   8.081  -2.454
  142    HE2  PHE  19           HE2      PHE  19 -19.628   5.333  -4.926
  143    HZ   PHE  19           HZ       PHE  19 -19.136   7.649  -4.247
  144    H    GLN  20           H        GLN  20 -17.068   2.951  -5.123
  145    HA   GLN  20           HA       GLN  20 -16.021   3.548  -7.051
  146    HB2  GLN  20          2HB       GLN  20 -14.043   4.647  -5.055
  147    HB3  GLN  20          3HB       GLN  20 -13.902   4.907  -6.788
  148    HG2  GLN  20          2HG       GLN  20 -16.055   5.877  -4.937
  149    HG3  GLN  20          3HG       GLN  20 -14.927   6.831  -5.899
  150   HE21  GLN  20          1HE2      GLN  20 -15.291   7.091  -8.094
  151   HE22  GLN  20          2HE2      GLN  20 -16.810   6.720  -8.829
  152    H    PHE  21           H        PHE  21 -12.929   3.165  -5.460
  153    HA   PHE  21           HA       PHE  21 -12.105   1.227  -7.412
  154    HB2  PHE  21          2HB       PHE  21 -10.006   1.222  -5.835
  155    HB3  PHE  21          3HB       PHE  21 -10.348   2.622  -6.845
  156    HD1  PHE  21           HD1      PHE  21 -10.708   4.732  -5.900
  157    HD2  PHE  21           HD2      PHE  21 -10.707   1.275  -3.417
  158    HE1  PHE  21           HE1      PHE  21 -10.721   6.170  -3.903
  159    HE2  PHE  21           HE2      PHE  21 -10.721   2.708  -1.416
  160    HZ   PHE  21           HZ       PHE  21 -10.729   5.159  -1.658
  161    H    VAL  22           H        VAL  22 -14.113  -0.049  -6.390
  162    HA   VAL  22           HA       VAL  22 -13.447  -1.618  -4.068
  163    HB   VAL  22           HB       VAL  22 -15.530  -2.843  -4.550
  164   HG11  VAL  22          1HG1      VAL  22 -16.429  -1.216  -3.335
  165   HG12  VAL  22          2HG1      VAL  22 -15.275  -0.045  -3.977
  166   HG13  VAL  22          3HG1      VAL  22 -16.791  -0.349  -4.827
  167   HG21  VAL  22          1HG2      VAL  22 -16.882  -1.513  -6.462
  168   HG22  VAL  22          2HG2      VAL  22 -15.251  -1.436  -7.127
  169   HG23  VAL  22          3HG2      VAL  22 -15.980  -2.999  -6.758
  170    H    PHE  23           H        PHE  23 -11.376  -1.980  -5.718
  171    HA   PHE  23           HA       PHE  23 -11.521  -4.808  -6.285
  172    HB2  PHE  23          2HB       PHE  23 -10.293  -3.929  -8.609
  173    HB3  PHE  23          3HB       PHE  23 -11.927  -4.573  -8.481
  174    HD1  PHE  23           HD1      PHE  23  -9.895  -1.590  -8.927
  175    HD2  PHE  23           HD2      PHE  23 -13.853  -3.076  -8.434
  176    HE1  PHE  23           HE1      PHE  23 -10.797   0.562  -9.709
  177    HE2  PHE  23           HE2      PHE  23 -14.761  -0.928  -9.216
  178    HZ   PHE  23           HZ       PHE  23 -13.232   0.895  -9.855
  179    H    DBU  24           H        DBU  24  -9.456  -2.010  -7.089
  180    HB   DBU  24           HB       DBU  24  -5.662  -2.049  -6.835
  181    HG1  DBU  24          1HG       DBU  24  -7.862  -1.368  -8.840
  182    HG2  DBU  24          2HG       DBU  24  -6.751  -2.685  -9.239
  183    HG3  DBU  24          3HG       DBU  24  -6.123  -1.058  -8.920
  184    H    CYS  25           H        CYS  25  -7.819  -1.042  -4.324
  185    HA   CYS  25           HA       CYS  25  -6.552  -3.015  -2.537
  186    HB2  CYS  25          2HB       CYS  25  -5.240  -0.894  -3.035
  187    HB3  CYS  25          3HB       CYS  25  -6.490  -0.023  -2.152
  188    H    CYS  26           H        CYS  26  -9.336  -2.940  -3.064
  189    HA   CYS  26           HA       CYS  26 -10.653  -1.541  -0.922
  190    HB2  CYS  26          2HB       CYS  26 -11.725  -2.014  -3.134
  191    HB3  CYS  26          3HB       CYS  26 -11.756  -3.721  -2.703
  192    H    SER  27           H        SER  27 -11.635  -2.443   0.897
  193    HA   SER  27           HA       SER  27 -11.374  -5.240   1.503
  194    HB2  SER  27          2HB       SER  27  -9.722  -3.231   3.052
  195    HB3  SER  27          3HB       SER  27  -9.966  -4.913   3.521
  196    HG   SER  27           HG       SER  27  -8.431  -3.838   1.456
  Start of MODEL   15
    1    H1   LYS   1           H        LYS   1   1.841   2.154  -9.413
    2    HA   LYS   1           HA       LYS   1   2.248   0.609  -6.935
    3    HB2  LYS   1          2HB       LYS   1   4.225   0.931  -8.595
    4    HB3  LYS   1          3HB       LYS   1   4.259   2.579  -7.981
    5    HG2  LYS   1          2HG       LYS   1   5.770   1.604  -6.587
    6    HG3  LYS   1          3HG       LYS   1   4.294   1.356  -5.651
    7    HD2  LYS   1          2HD       LYS   1   4.746  -0.784  -7.556
    8    HD3  LYS   1          3HD       LYS   1   6.101  -0.595  -6.441
    9    HE2  LYS   1          2HE       LYS   1   4.406  -0.597  -4.573
   10    HE3  LYS   1          3HE       LYS   1   3.206  -1.079  -5.770
   11    HZ1  LYS   1          1HZ       LYS   1   5.083  -2.683  -4.413
   12    HZ2  LYS   1          2HZ       LYS   1   5.382  -2.775  -6.075
   13    HZ3  LYS   1          3HZ       LYS   1   3.850  -3.160  -5.469
   14    H    LYS   2           H        LYS   2   1.639   1.573  -5.113
   15    HA   LYS   2           HA       LYS   2   1.705   4.472  -4.880
   16    HB2  LYS   2          2HB       LYS   2  -0.600   4.685  -4.202
   17    HB3  LYS   2          3HB       LYS   2  -0.544   3.933  -5.792
   18    HG2  LYS   2          2HG       LYS   2  -0.530   1.770  -4.110
   19    HG3  LYS   2          3HG       LYS   2  -1.584   2.911  -3.272
   20    HD2  LYS   2          2HD       LYS   2  -2.928   1.557  -4.730
   21    HD3  LYS   2          3HD       LYS   2  -2.861   3.193  -5.389
   22    HE2  LYS   2          2HE       LYS   2  -1.583   2.567  -7.178
   23    HE3  LYS   2          3HE       LYS   2  -0.826   1.233  -6.309
   24    HZ1  LYS   2          1HZ       LYS   2  -2.411   0.572  -8.100
   25    HZ2  LYS   2          2HZ       LYS   2  -3.665   1.210  -7.162
   26    HZ3  LYS   2          3HZ       LYS   2  -2.752  -0.090  -6.581
   27    H    LYS   3           H        LYS   3   1.376   5.207  -2.661
   28    HA   LYS   3           HA       LYS   3   1.563   3.160  -0.593
   29    HB2  LYS   3          2HB       LYS   3   3.897   3.895  -1.472
   30    HB3  LYS   3          3HB       LYS   3   3.583   5.382  -0.587
   31    HG2  LYS   3          2HG       LYS   3   3.152   3.898   1.435
   32    HG3  LYS   3          3HG       LYS   3   3.881   2.598   0.489
   33    HD2  LYS   3          2HD       LYS   3   5.967   3.611   0.468
   34    HD3  LYS   3          3HD       LYS   3   5.303   5.213   0.794
   35    HE2  LYS   3          2HE       LYS   3   4.710   4.460   3.072
   36    HE3  LYS   3          3HE       LYS   3   5.471   2.907   2.732
   37    HZ1  LYS   3          1HZ       LYS   3   7.160   4.024   3.765
   38    HZ2  LYS   3          2HZ       LYS   3   6.716   5.533   3.143
   39    HZ3  LYS   3          3HZ       LYS   3   7.498   4.407   2.152
   40    H    SER   4           H        SER   4  -0.467   5.069  -1.320
   41    HA   SER   4           HA       SER   4  -0.929   6.213   1.264
   42    HB2  SER   4          2HB       SER   4   0.581   7.907   0.176
   43    HB3  SER   4          3HB       SER   4  -0.667   8.150  -1.045
   44    HG   SER   4           HG       SER   4  -1.689   9.370   0.313
   45    H    GLY   5           H        GLY   5  -2.946   5.484   1.499
   46    HA2  GLY   5          2HA       GLY   5  -4.877   6.100  -0.651
   47    HA3  GLY   5          3HA       GLY   5  -4.898   4.561   0.198
   48    H    VAL   6           H        VAL   6  -4.657   7.968   1.226
   49    HA   VAL   6           HA       VAL   6  -6.926   7.462   3.041
   50    HB   VAL   6           HB       VAL   6  -5.952   9.259   4.494
   51   HG11  VAL   6          1HG1      VAL   6  -4.156   6.871   4.086
   52   HG12  VAL   6          2HG1      VAL   6  -4.353   7.811   5.567
   53   HG13  VAL   6          3HG1      VAL   6  -5.691   6.838   4.953
   54   HG21  VAL   6          1HG2      VAL   6  -3.648   9.904   4.214
   55   HG22  VAL   6          2HG2      VAL   6  -3.484   8.853   2.807
   56   HG23  VAL   6          3HG2      VAL   6  -4.530  10.271   2.732
   57    H    ILE   7           H        ILE   7  -5.520   9.521   0.642
   58    HA   ILE   7           HA       ILE   7  -7.286  11.743   1.072
   59    HB   ILE   7           HB       ILE   7  -5.209  11.044  -0.937
   60   HG12  ILE   7          2HG1      ILE   7  -5.255  13.788  -0.255
   61   HG13  ILE   7          3HG1      ILE   7  -5.602  12.899   1.223
   62   HG21  ILE   7          1HG2      ILE   7  -6.806  11.649  -2.513
   63   HG22  ILE   7          2HG2      ILE   7  -7.530  12.861  -1.458
   64   HG23  ILE   7          3HG2      ILE   7  -5.959  13.164  -2.199
   65   HD11  ILE   7          1HD1      ILE   7  -3.229  13.313   0.994
   66   HD12  ILE   7          2HD1      ILE   7  -3.568  11.585   0.901
   67   HD13  ILE   7          3HD1      ILE   7  -3.220  12.496  -0.568
   68    HA   PRO   8           HA       PRO   8  -9.439  10.022  -2.899
   69    HB2  PRO   8          2HB       PRO   8  -8.713   7.543  -3.732
   70    HB3  PRO   8          3HB       PRO   8  -7.908   9.016  -4.285
   71    HG2  PRO   8          2HG       PRO   8  -7.066   7.078  -2.164
   72    HG3  PRO   8          3HG       PRO   8  -6.086   7.858  -3.419
   73    HD2  PRO   8          2HD       PRO   8  -6.130   8.729  -0.856
   74    HD3  PRO   8          3HD       PRO   8  -5.905   9.826  -2.233
   75    H    DBB   9           H        DBB   9  -8.461   7.291  -0.819
   76    HA   DBB   9           HA       DBB   9 -11.343   6.754  -0.291
   77    HB2  DBB   9          3HB       DBB   9  -8.907   6.815   1.451
   78    HG1  DBB   9          1HG       DBB   9 -10.751   8.516   1.526
   79    HG2  DBB   9          2HG       DBB   9 -11.881   7.222   1.988
   80    HG3  DBB   9          3HG       DBB   9 -10.538   7.658   3.071
   81    H    VAL  10           H        VAL  10  -8.153   5.406  -0.938
   82    HA   VAL  10           HA       VAL  10  -9.450   2.942  -1.857
   83    HB   VAL  10           HB       VAL  10  -7.401   2.483  -3.084
   84   HG11  VAL  10          1HG1      VAL  10  -9.101   4.742  -3.508
   85   HG12  VAL  10          2HG1      VAL  10  -7.480   5.106  -4.106
   86   HG13  VAL  10          3HG1      VAL  10  -8.341   3.684  -4.696
   87   HG21  VAL  10          1HG2      VAL  10  -6.381   4.766  -1.476
   88   HG22  VAL  10          2HG2      VAL  10  -5.589   3.255  -1.924
   89   HG23  VAL  10          3HG2      VAL  10  -5.752   4.550  -3.110
   90    H    DAL  11           H        DAL  11  -7.614   1.058  -1.734
   91    HA   DAL  11           HA       DAL  11  -5.949   0.824   0.519
   92    HB1  DAL  11          2HB       DAL  11  -7.378  -1.116  -1.294
   93    HB2  DAL  11          3HB       DAL  11  -5.633  -0.892  -1.026
   94    H    HIS  12           H        HIS  12  -6.776   1.453   2.444
   95    HA   HIS  12           HA       HIS  12  -9.379   1.049   3.365
   96    HB2  HIS  12          2HB       HIS  12  -8.851  -0.773   5.073
   97    HB3  HIS  12          3HB       HIS  12  -9.054  -1.294   3.403
   98    HD1  HIS  12           HD1      HIS  12  -7.621  -3.407   3.841
   99    HD2  HIS  12           HD2      HIS  12  -5.605   0.177   4.436
  100    HE1  HIS  12           HE1      HIS  12  -5.186  -4.020   3.987
  101    H    ASP  13           H        ASP  13  -9.386   1.091   5.915
  102    HA   ASP  13           HA       ASP  13  -8.856   2.220   7.819
  103    HB2  ASP  13          2HB       ASP  13  -6.533   1.063   7.131
  104    HB3  ASP  13          3HB       ASP  13  -6.055   2.752   6.989
  105    H    CYS  14           H        CYS  14  -9.600   3.570   5.254
  106    HA   CYS  14           HA       CYS  14  -8.641   6.270   5.948
  107    HB2  CYS  14          2HB       CYS  14  -8.787   6.899   3.620
  108    HB3  CYS  14          3HB       CYS  14  -7.786   5.456   3.754
  109    H    HIS  15           H        HIS  15 -11.336   4.275   4.905
  110    HA   HIS  15           HA       HIS  15 -13.294   5.587   6.315
  111    HB2  HIS  15          2HB       HIS  15 -13.481   7.558   5.237
  112    HB3  HIS  15          3HB       HIS  15 -12.580   6.982   3.838
  113    HD1  HIS  15           HD1      HIS  15 -16.086   6.869   5.272
  114    HD2  HIS  15           HD2      HIS  15 -14.107   6.440   1.644
  115    HE1  HIS  15           HE1      HIS  15 -17.896   6.696   3.535
  116    H    MET  16           H        MET  16 -14.748   4.025   6.489
  117    HA   MET  16           HA       MET  16 -15.985   2.164   6.040
  118    HB2  MET  16          2HB       MET  16 -16.664   4.170   4.226
  119    HB3  MET  16          3HB       MET  16 -16.498   2.725   3.238
  120    HG2  MET  16          2HG       MET  16 -17.952   1.768   5.311
  121    HG3  MET  16          3HG       MET  16 -18.527   3.432   5.229
  122    HE1  MET  16          1HE       MET  16 -19.815   4.034   1.939
  123    HE2  MET  16          2HE       MET  16 -20.988   3.663   3.203
  124    HE3  MET  16          3HE       MET  16 -19.501   4.523   3.605
  125    H    ASN  17           H        ASN  17 -16.402   0.609   3.827
  126    HA   ASN  17           HA       ASN  17 -13.729  -0.530   3.409
  127    HB2  ASN  17          2HB       ASN  17 -16.299  -1.955   2.784
  128    HB3  ASN  17          3HB       ASN  17 -14.728  -2.638   3.193
  129   HD21  ASN  17          1HD2      ASN  17 -13.947  -1.870   5.441
  130   HD22  ASN  17          2HD2      ASN  17 -15.118  -2.004   6.705
  131    H    DAL  18           H        DAL  18 -13.535   1.295   1.778
  132    HA   DAL  18           HA       DAL  18 -13.947   0.200  -0.884
  133    HB1  DAL  18          2HB       DAL  18 -11.901   1.538  -0.037
  134    HB2  DAL  18          3HB       DAL  18 -12.556   1.988  -1.629
  135    H    PHE  19           H        PHE  19 -14.728   1.812  -2.600
  136    HA   PHE  19           HA       PHE  19 -17.439   2.426  -2.044
  137    HB2  PHE  19          2HB       PHE  19 -16.529   4.376  -0.927
  138    HB3  PHE  19          3HB       PHE  19 -15.541   4.763  -2.332
  139    HD1  PHE  19           HD1      PHE  19 -16.442   6.992  -2.523
  140    HD2  PHE  19           HD2      PHE  19 -18.981   3.580  -2.693
  141    HE1  PHE  19           HE1      PHE  19 -18.259   8.392  -3.412
  142    HE2  PHE  19           HE2      PHE  19 -20.801   4.974  -3.583
  143    HZ   PHE  19           HZ       PHE  19 -20.442   7.384  -3.945
  144    H    GLN  20           H        GLN  20 -15.284   4.282  -4.144
  145    HA   GLN  20           HA       GLN  20 -16.785   3.326  -6.456
  146    HB2  GLN  20          2HB       GLN  20 -15.688   5.143  -7.674
  147    HB3  GLN  20          3HB       GLN  20 -16.470   5.740  -6.216
  148    HG2  GLN  20          2HG       GLN  20 -14.209   5.584  -5.098
  149    HG3  GLN  20          3HG       GLN  20 -13.539   5.323  -6.707
  150   HE21  GLN  20          1HE2      GLN  20 -14.176   6.994  -8.344
  151   HE22  GLN  20          2HE2      GLN  20 -14.203   8.639  -7.819
  152    H    PHE  21           H        PHE  21 -14.810   1.644  -5.040
  153    HA   PHE  21           HA       PHE  21 -13.505   0.576  -7.331
  154    HB2  PHE  21          2HB       PHE  21 -11.215   0.874  -5.848
  155    HB3  PHE  21          3HB       PHE  21 -11.647   1.848  -7.249
  156    HD1  PHE  21           HD1      PHE  21 -11.092   4.043  -6.907
  157    HD2  PHE  21           HD2      PHE  21 -12.775   1.820  -3.692
  158    HE1  PHE  21           HE1      PHE  21 -11.077   6.066  -5.506
  159    HE2  PHE  21           HE2      PHE  21 -12.764   3.839  -2.285
  160    HZ   PHE  21           HZ       PHE  21 -11.915   5.965  -3.192
  161    H    VAL  22           H        VAL  22 -15.251  -0.174  -5.072
  162    HA   VAL  22           HA       VAL  22 -13.838  -1.817  -3.253
  163    HB   VAL  22           HB       VAL  22 -16.003  -2.818  -2.720
  164   HG11  VAL  22          1HG1      VAL  22 -16.834  -0.020  -3.046
  165   HG12  VAL  22          2HG1      VAL  22 -16.693  -1.002  -1.586
  166   HG13  VAL  22          3HG1      VAL  22 -15.260  -0.247  -2.285
  167   HG21  VAL  22          1HG2      VAL  22 -17.841  -1.373  -4.227
  168   HG22  VAL  22          2HG2      VAL  22 -16.642  -1.927  -5.395
  169   HG23  VAL  22          3HG2      VAL  22 -17.476  -3.093  -4.368
  170    H    PHE  23           H        PHE  23 -13.082  -3.836  -3.422
  171    HA   PHE  23           HA       PHE  23 -14.130  -5.742  -5.280
  172    HB2  PHE  23          2HB       PHE  23 -12.335  -4.058  -6.426
  173    HB3  PHE  23          3HB       PHE  23 -11.259  -5.316  -5.827
  174    HD1  PHE  23           HD1      PHE  23 -10.665  -6.817  -7.444
  175    HD2  PHE  23           HD2      PHE  23 -14.625  -5.256  -7.445
  176    HE1  PHE  23           HE1      PHE  23 -11.211  -8.212  -9.396
  177    HE2  PHE  23           HE2      PHE  23 -15.177  -6.649  -9.396
  178    HZ   PHE  23           HZ       PHE  23 -13.470  -8.130 -10.374
  179    H    DBU  24           H        DBU  24 -10.877  -5.211  -3.932
  180    HB   DBU  24           HB       DBU  24  -9.844  -8.656  -2.050
  181    HG1  DBU  24          1HG       DBU  24 -11.232  -8.443  -4.806
  182    HG2  DBU  24          2HG       DBU  24 -11.650  -9.667  -3.600
  183    HG3  DBU  24          3HG       DBU  24 -10.017  -9.618  -4.289
  184    H    CYS  25           H        CYS  25  -8.872  -5.016  -2.583
  185    HA   CYS  25           HA       CYS  25  -8.332  -5.245   0.230
  186    HB2  CYS  25          2HB       CYS  25  -6.467  -4.698  -1.134
  187    HB3  CYS  25          3HB       CYS  25  -7.339  -3.393  -1.932
  188    H    CYS  26           H        CYS  26 -10.300  -3.231  -1.807
  189    HA   CYS  26           HA       CYS  26 -10.722  -1.190   0.179
  190    HB2  CYS  26          2HB       CYS  26 -11.328  -1.570  -2.610
  191    HB3  CYS  26          3HB       CYS  26 -12.781  -1.076  -1.747
  192    H    SER  27           H        SER  27 -12.866  -3.604  -1.344
  193    HA   SER  27           HA       SER  27 -14.864  -3.250   0.699
  194    HB2  SER  27          2HB       SER  27 -16.223  -4.173  -0.829
  195    HB3  SER  27          3HB       SER  27 -14.842  -4.240  -1.923
  196    HG   SER  27           HG       SER  27 -14.662  -6.324  -1.585
  Start of MODEL   16
    1    H1   LYS   1           H        LYS   1   2.604  -0.845  -2.042
    2    HA   LYS   1           HA       LYS   1   2.379   1.245   0.012
    3    HB2  LYS   1          2HB       LYS   1   4.743   1.646  -0.006
    4    HB3  LYS   1          3HB       LYS   1   4.490  -0.066   0.306
    5    HG2  LYS   1          2HG       LYS   1   4.745  -0.169  -2.345
    6    HG3  LYS   1          3HG       LYS   1   5.700   1.282  -2.030
    7    HD2  LYS   1          2HD       LYS   1   7.353   0.126  -1.025
    8    HD3  LYS   1          3HD       LYS   1   6.231  -0.972  -0.218
    9    HE2  LYS   1          2HE       LYS   1   6.908  -1.109  -3.152
   10    HE3  LYS   1          3HE       LYS   1   7.728  -2.053  -1.909
   11    HZ1  LYS   1          1HZ       LYS   1   5.905  -3.248  -3.056
   12    HZ2  LYS   1          2HZ       LYS   1   4.803  -2.149  -2.396
   13    HZ3  LYS   1          3HZ       LYS   1   5.701  -3.158  -1.378
   14    H    LYS   2           H        LYS   2   1.055   1.021  -2.524
   15    HA   LYS   2           HA       LYS   2   2.263   3.317  -3.924
   16    HB2  LYS   2          2HB       LYS   2   0.715   1.003  -5.104
   17    HB3  LYS   2          3HB       LYS   2   1.197   2.438  -6.000
   18    HG2  LYS   2          2HG       LYS   2   3.590   1.783  -5.160
   19    HG3  LYS   2          3HG       LYS   2   2.858   0.186  -4.986
   20    HD2  LYS   2          2HD       LYS   2   2.841  -0.155  -7.197
   21    HD3  LYS   2          3HD       LYS   2   2.202   1.458  -7.522
   22    HE2  LYS   2          2HE       LYS   2   4.358   1.268  -8.556
   23    HE3  LYS   2          3HE       LYS   2   4.489   2.368  -7.184
   24    HZ1  LYS   2          1HZ       LYS   2   6.246   0.510  -7.541
   25    HZ2  LYS   2          2HZ       LYS   2   5.094  -0.481  -6.800
   26    HZ3  LYS   2          3HZ       LYS   2   5.705   0.866  -5.979
   27    H    LYS   3           H        LYS   3   1.000   4.689  -2.542
   28    HA   LYS   3           HA       LYS   3  -1.742   4.993  -3.526
   29    HB2  LYS   3          2HB       LYS   3  -0.949   4.986  -0.608
   30    HB3  LYS   3          3HB       LYS   3  -2.521   5.492  -1.213
   31    HG2  LYS   3          2HG       LYS   3  -3.133   3.381  -0.847
   32    HG3  LYS   3          3HG       LYS   3  -2.252   3.016  -2.332
   33    HD2  LYS   3          2HD       LYS   3  -0.214   2.632  -0.950
   34    HD3  LYS   3          3HD       LYS   3  -1.209   2.840   0.494
   35    HE2  LYS   3          2HE       LYS   3  -2.340   0.937  -1.395
   36    HE3  LYS   3          3HE       LYS   3  -0.734   0.469  -0.838
   37    HZ1  LYS   3          1HZ       LYS   3  -1.752   1.079   1.474
   38    HZ2  LYS   3          2HZ       LYS   3  -2.032  -0.439   0.784
   39    HZ3  LYS   3          3HZ       LYS   3  -3.218   0.764   0.691
   40    H    SER   4           H        SER   4  -2.467   7.096  -3.647
   41    HA   SER   4           HA       SER   4  -0.424   9.121  -3.653
   42    HB2  SER   4          2HB       SER   4  -3.361   9.133  -4.346
   43    HB3  SER   4          3HB       SER   4  -2.385  10.602  -4.365
   44    HG   SER   4           HG       SER   4  -2.017   9.949  -6.346
   45    H    GLY   5           H        GLY   5  -3.613   8.897  -2.056
   46    HA2  GLY   5          2HA       GLY   5  -2.465  10.110   0.339
   47    HA3  GLY   5          3HA       GLY   5  -3.745  11.008  -0.463
   48    H    VAL   6           H        VAL   6  -5.130  10.842   1.312
   49    HA   VAL   6           HA       VAL   6  -6.467   8.247   1.518
   50    HB   VAL   6           HB       VAL   6  -6.674   8.618   4.023
   51   HG11  VAL   6          1HG1      VAL   6  -4.498   7.579   4.494
   52   HG12  VAL   6          2HG1      VAL   6  -5.278   6.866   3.080
   53   HG13  VAL   6          3HG1      VAL   6  -3.951   8.010   2.874
   54   HG21  VAL   6          1HG2      VAL   6  -5.116  10.013   5.139
   55   HG22  VAL   6          2HG2      VAL   6  -4.235  10.342   3.647
   56   HG23  VAL   6          3HG2      VAL   6  -5.854  11.000   3.878
   57    H    ILE   7           H        ILE   7  -7.047  10.909   0.316
   58    HA   ILE   7           HA       ILE   7  -9.106  12.100   1.923
   59    HB   ILE   7           HB       ILE   7  -8.869  12.545  -1.030
   60   HG12  ILE   7          2HG1      ILE   7  -6.576  12.633  -0.303
   61   HG13  ILE   7          3HG1      ILE   7  -7.140  14.287  -0.517
   62   HG21  ILE   7          1HG2      ILE   7  -9.523  14.814  -0.425
   63   HG22  ILE   7          2HG2      ILE   7 -10.675  13.636   0.203
   64   HG23  ILE   7          3HG2      ILE   7  -9.494  14.376   1.283
   65   HD11  ILE   7          1HD1      ILE   7  -6.473  12.819   1.982
   66   HD12  ILE   7          2HD1      ILE   7  -6.015  14.443   1.467
   67   HD13  ILE   7          3HD1      ILE   7  -7.654  14.127   2.035
   68    HA   PRO   8           HA       PRO   8 -11.937   9.948  -1.375
   69    HB2  PRO   8          2HB       PRO   8 -10.804   7.951  -2.822
   70    HB3  PRO   8          3HB       PRO   8 -10.803   9.639  -3.348
   71    HG2  PRO   8          2HG       PRO   8  -8.633   8.072  -2.007
   72    HG3  PRO   8          3HG       PRO   8  -8.518   9.208  -3.364
   73    HD2  PRO   8          2HD       PRO   8  -7.876   9.899  -0.825
   74    HD3  PRO   8          3HD       PRO   8  -8.564  11.054  -1.984
   75    H    DBB   9           H        DBB   9  -9.403   7.697  -0.257
   76    HA   DBB   9           HA       DBB   9 -11.470   6.209   1.269
   77    HB2  DBB   9          3HB       DBB   9  -8.455   6.486   1.552
   78    HG1  DBB   9          1HG       DBB   9 -10.478   6.770   3.761
   79    HG2  DBB   9          2HG       DBB   9  -8.938   7.627   3.517
   80    HG3  DBB   9          3HG       DBB   9 -10.365   8.070   2.550
   81    H    VAL  10           H        VAL  10  -8.323   5.369  -0.177
   82    HA   VAL  10           HA       VAL  10  -9.650   3.110  -1.527
   83    HB   VAL  10           HB       VAL  10  -7.626   3.144  -3.052
   84   HG11  VAL  10          1HG1      VAL  10  -9.920   4.081  -3.564
   85   HG12  VAL  10          2HG1      VAL  10  -9.256   5.670  -3.179
   86   HG13  VAL  10          3HG1      VAL  10  -8.585   4.733  -4.515
   87   HG21  VAL  10          1HG2      VAL  10  -6.023   4.711  -2.896
   88   HG22  VAL  10          2HG2      VAL  10  -7.169   5.987  -2.485
   89   HG23  VAL  10          3HG2      VAL  10  -6.593   4.885  -1.236
   90    H    DAL  11           H        DAL  11  -8.727   1.075  -1.433
   91    HA   DAL  11           HA       DAL  11  -6.372   0.723   0.347
   92    HB1  DAL  11          2HB       DAL  11  -6.302  -0.197  -2.024
   93    HB2  DAL  11          3HB       DAL  11  -6.043  -1.410  -0.748
   94    H    HIS  12           H        HIS  12  -6.834   0.122   2.344
   95    HA   HIS  12           HA       HIS  12  -9.394  -0.621   3.230
   96    HB2  HIS  12          2HB       HIS  12  -8.872  -2.989   3.889
   97    HB3  HIS  12          3HB       HIS  12  -9.054  -2.737   2.156
   98    HD1  HIS  12           HD1      HIS  12  -6.534  -3.621   4.761
   99    HD2  HIS  12           HD2      HIS  12  -6.716  -3.091   0.644
  100    HE1  HIS  12           HE1      HIS  12  -4.377  -4.556   3.867
  101    H    ASP  13           H        ASP  13  -7.188   1.111   3.925
  102    HA   ASP  13           HA       ASP  13  -6.953   0.360   6.738
  103    HB2  ASP  13          2HB       ASP  13  -4.864  -0.304   5.329
  104    HB3  ASP  13          3HB       ASP  13  -4.521   1.424   5.335
  105    H    CYS  14           H        CYS  14  -8.199   2.450   4.805
  106    HA   CYS  14           HA       CYS  14  -7.363   4.812   6.357
  107    HB2  CYS  14          2HB       CYS  14  -7.886   6.201   4.438
  108    HB3  CYS  14          3HB       CYS  14  -6.742   4.951   3.960
  109    H    HIS  15           H        HIS  15 -10.004   2.939   5.053
  110    HA   HIS  15           HA       HIS  15 -11.821   3.746   7.029
  111    HB2  HIS  15          2HB       HIS  15 -11.683   5.477   4.690
  112    HB3  HIS  15          3HB       HIS  15 -13.294   4.807   4.925
  113    HD1  HIS  15           HD1      HIS  15 -14.060   5.059   7.641
  114    HD2  HIS  15           HD2      HIS  15 -11.376   7.791   6.032
  115    HE1  HIS  15           HE1      HIS  15 -14.157   7.067   9.152
  116    H    MET  16           H        MET  16 -14.223   3.260   6.103
  117    HA   MET  16           HA       MET  16 -13.986   0.611   4.853
  118    HB2  MET  16          2HB       MET  16 -16.351   1.675   6.393
  119    HB3  MET  16          3HB       MET  16 -16.019   0.006   5.952
  120    HG2  MET  16          2HG       MET  16 -13.995   0.117   7.421
  121    HG3  MET  16          3HG       MET  16 -14.567   1.690   7.972
  122    HE1  MET  16          1HE       MET  16 -14.850  -1.982   7.852
  123    HE2  MET  16          2HE       MET  16 -14.365  -1.727   9.528
  124    HE3  MET  16          3HE       MET  16 -15.940  -2.434   9.163
  125    H    ASN  17           H        ASN  17 -16.589   0.206   4.070
  126    HA   ASN  17           HA       ASN  17 -18.131   0.644   2.445
  127    HB2  ASN  17          2HB       ASN  17 -17.986   3.017   3.517
  128    HB3  ASN  17          3HB       ASN  17 -17.054   3.422   2.079
  129   HD21  ASN  17          1HD2      ASN  17 -18.427   4.688   0.996
  130   HD22  ASN  17          2HD2      ASN  17 -20.005   4.216   0.474
  131    H    DAL  18           H        DAL  18 -15.356   2.670   1.487
  132    HA   DAL  18           HA       DAL  18 -14.888   0.873  -0.830
  133    HB1  DAL  18          2HB       DAL  18 -12.846   1.110   0.307
  134    HB2  DAL  18          3HB       DAL  18 -12.732   2.389  -0.926
  135    H    PHE  19           H        PHE  19 -13.743   2.382  -2.635
  136    HA   PHE  19           HA       PHE  19 -15.823   3.814  -3.833
  137    HB2  PHE  19          2HB       PHE  19 -15.331   5.476  -2.062
  138    HB3  PHE  19          3HB       PHE  19 -13.679   5.595  -2.658
  139    HD1  PHE  19           HD1      PHE  19 -17.143   5.777  -4.041
  140    HD2  PHE  19           HD2      PHE  19 -13.211   7.405  -3.973
  141    HE1  PHE  19           HE1      PHE  19 -17.845   7.529  -5.620
  142    HE2  PHE  19           HE2      PHE  19 -13.907   9.160  -5.551
  143    HZ   PHE  19           HZ       PHE  19 -16.226   9.225  -6.376
  144    H    GLN  20           H        GLN  20 -15.119   4.936  -5.839
  145    HA   GLN  20           HA       GLN  20 -13.849   5.134  -7.730
  146    HB2  GLN  20          2HB       GLN  20 -11.565   3.797  -6.294
  147    HB3  GLN  20          3HB       GLN  20 -11.494   4.892  -7.667
  148    HG2  GLN  20          2HG       GLN  20 -12.495   6.633  -6.069
  149    HG3  GLN  20          3HG       GLN  20 -12.016   5.520  -4.790
  150   HE21  GLN  20          1HE2      GLN  20 -10.988   8.054  -4.912
  151   HE22  GLN  20          2HE2      GLN  20  -9.312   7.982  -5.323
  152    H    PHE  21           H        PHE  21 -12.591   2.157  -6.224
  153    HA   PHE  21           HA       PHE  21 -13.409   0.696  -8.638
  154    HB2  PHE  21          2HB       PHE  21 -11.833  -1.086  -7.476
  155    HB3  PHE  21          3HB       PHE  21 -11.165   0.234  -8.431
  156    HD1  PHE  21           HD1      PHE  21 -10.120   2.158  -7.329
  157    HD2  PHE  21           HD2      PHE  21 -11.509  -1.203  -5.117
  158    HE1  PHE  21           HE1      PHE  21  -8.788   2.886  -5.393
  159    HE2  PHE  21           HE2      PHE  21 -10.180  -0.480  -3.177
  160    HZ   PHE  21           HZ       PHE  21  -8.817   1.567  -3.313
  161    H    VAL  22           H        VAL  22 -13.354   0.416  -5.096
  162    HA   VAL  22           HA       VAL  22 -14.452  -1.078  -3.713
  163    HB   VAL  22           HB       VAL  22 -17.060  -0.846  -4.342
  164   HG11  VAL  22          1HG1      VAL  22 -15.141   0.672  -2.757
  165   HG12  VAL  22          2HG1      VAL  22 -16.577   1.601  -3.193
  166   HG13  VAL  22          3HG1      VAL  22 -16.743   0.072  -2.328
  167   HG21  VAL  22          1HG2      VAL  22 -16.608   0.272  -6.467
  168   HG22  VAL  22          2HG2      VAL  22 -17.467   1.340  -5.356
  169   HG23  VAL  22          3HG2      VAL  22 -15.735   1.547  -5.616
  170    H    PHE  23           H        PHE  23 -13.545  -3.021  -4.657
  171    HA   PHE  23           HA       PHE  23 -15.590  -4.849  -5.478
  172    HB2  PHE  23          2HB       PHE  23 -14.442  -3.521  -7.566
  173    HB3  PHE  23          3HB       PHE  23 -13.392  -4.929  -7.439
  174    HD1  PHE  23           HD1      PHE  23 -14.122  -7.072  -8.119
  175    HD2  PHE  23           HD2      PHE  23 -16.869  -3.824  -7.964
  176    HE1  PHE  23           HE1      PHE  23 -15.777  -8.418  -9.345
  177    HE2  PHE  23           HE2      PHE  23 -18.528  -5.165  -9.190
  178    HZ   PHE  23           HZ       PHE  23 -17.984  -7.465  -9.881
  179    H    DBU  24           H        DBU  24 -12.075  -4.759  -6.034
  180    HB   DBU  24           HB       DBU  24 -10.526  -8.198  -4.593
  181    HG1  DBU  24          1HG       DBU  24 -13.075  -7.896  -6.329
  182    HG2  DBU  24          2HG       DBU  24 -12.797  -9.177  -5.142
  183    HG3  DBU  24          3HG       DBU  24 -11.762  -9.054  -6.576
  184    H    CYS  25           H        CYS  25 -11.620  -4.497  -3.150
  185    HA   CYS  25           HA       CYS  25  -9.016  -4.819  -1.982
  186    HB2  CYS  25          2HB       CYS  25  -8.285  -3.530  -3.859
  187    HB3  CYS  25          3HB       CYS  25  -9.624  -2.399  -3.683
  188    H    CYS  26           H        CYS  26 -11.918  -2.844  -2.332
  189    HA   CYS  26           HA       CYS  26 -11.628  -1.701   0.310
  190    HB2  CYS  26          2HB       CYS  26 -13.740  -1.481  -1.831
  191    HB3  CYS  26          3HB       CYS  26 -13.943  -0.760  -0.237
  192    H    SER  27           H        SER  27 -11.622  -3.637   1.562
  193    HA   SER  27           HA       SER  27 -14.220  -5.009   1.724
  194    HB2  SER  27          2HB       SER  27 -11.432  -5.872   2.483
  195    HB3  SER  27          3HB       SER  27 -12.863  -6.729   3.054
  196    HG   SER  27           HG       SER  27 -11.765  -6.589   0.504
  Start of MODEL   17
    1    H1   LYS   1           H        LYS   1  -3.078  -4.917  -5.981
    2    HA   LYS   1           HA       LYS   1  -1.092  -3.042  -6.161
    3    HB2  LYS   1          2HB       LYS   1  -3.387  -2.183  -7.621
    4    HB3  LYS   1          3HB       LYS   1  -3.225  -1.154  -6.204
    5    HG2  LYS   1          2HG       LYS   1  -0.653  -1.285  -7.146
    6    HG3  LYS   1          3HG       LYS   1  -1.616  -1.273  -8.626
    7    HD2  LYS   1          2HD       LYS   1  -2.821   0.721  -7.754
    8    HD3  LYS   1          3HD       LYS   1  -1.716   0.737  -6.378
    9    HE2  LYS   1          2HE       LYS   1  -0.732   0.814  -9.215
   10    HE3  LYS   1          3HE       LYS   1  -1.181   2.280  -8.344
   11    HZ1  LYS   1          1HZ       LYS   1   0.589   2.104  -6.945
   12    HZ2  LYS   1          2HZ       LYS   1   1.264   1.386  -8.319
   13    HZ3  LYS   1          3HZ       LYS   1   0.681   0.419  -7.060
   14    H    LYS   2           H        LYS   2  -1.022  -1.557  -4.338
   15    HA   LYS   2           HA       LYS   2  -3.078  -1.734  -2.324
   16    HB2  LYS   2          2HB       LYS   2  -0.828  -3.537  -2.270
   17    HB3  LYS   2          3HB       LYS   2  -0.778  -2.467  -0.875
   18    HG2  LYS   2          2HG       LYS   2  -3.447  -3.440  -1.270
   19    HG3  LYS   2          3HG       LYS   2  -2.307  -4.786  -1.204
   20    HD2  LYS   2          2HD       LYS   2  -2.132  -2.592   0.818
   21    HD3  LYS   2          3HD       LYS   2  -3.356  -3.851   0.996
   22    HE2  LYS   2          2HE       LYS   2  -0.424  -4.425   0.614
   23    HE3  LYS   2          3HE       LYS   2  -1.182  -4.265   2.198
   24    HZ1  LYS   2          1HZ       LYS   2  -1.663  -6.330   0.137
   25    HZ2  LYS   2          2HZ       LYS   2  -2.767  -6.053   1.388
   26    HZ3  LYS   2          3HZ       LYS   2  -1.187  -6.541   1.746
   27    H    LYS   3           H        LYS   3  -3.201   0.450  -2.186
   28    HA   LYS   3           HA       LYS   3  -0.792   1.841  -1.222
   29    HB2  LYS   3          2HB       LYS   3  -2.775   2.713  -3.306
   30    HB3  LYS   3          3HB       LYS   3  -1.845   3.895  -2.394
   31    HG2  LYS   3          2HG       LYS   3  -0.510   1.653  -3.869
   32    HG3  LYS   3          3HG       LYS   3  -0.952   3.163  -4.670
   33    HD2  LYS   3          2HD       LYS   3   0.334   3.901  -2.289
   34    HD3  LYS   3          3HD       LYS   3   1.296   2.588  -2.971
   35    HE2  LYS   3          2HE       LYS   3   2.242   4.329  -4.086
   36    HE3  LYS   3          3HE       LYS   3   0.918   3.985  -5.197
   37    HZ1  LYS   3          1HZ       LYS   3   0.360   5.852  -3.031
   38    HZ2  LYS   3          2HZ       LYS   3  -0.163   5.873  -4.640
   39    HZ3  LYS   3          3HZ       LYS   3   1.397   6.400  -4.251
   40    H    SER   4           H        SER   4  -1.090   3.378   0.376
   41    HA   SER   4           HA       SER   4  -3.746   3.344   1.642
   42    HB2  SER   4          2HB       SER   4  -1.309   4.259   3.111
   43    HB3  SER   4          3HB       SER   4  -2.739   3.426   3.720
   44    HG   SER   4           HG       SER   4  -0.646   2.212   3.486
   45    H    GLY   5           H        GLY   5  -4.631   5.271   2.472
   46    HA2  GLY   5          2HA       GLY   5  -3.332   7.798   2.168
   47    HA3  GLY   5          3HA       GLY   5  -4.492   7.514   0.879
   48    H    VAL   6           H        VAL   6  -4.469   9.501   3.075
   49    HA   VAL   6           HA       VAL   6  -7.044   8.776   4.316
   50    HB   VAL   6           HB       VAL   6  -5.232   8.935   5.979
   51   HG11  VAL   6          1HG1      VAL   6  -4.996  11.847   5.812
   52   HG12  VAL   6          2HG1      VAL   6  -3.759  10.621   6.094
   53   HG13  VAL   6          3HG1      VAL   6  -4.281  10.985   4.449
   54   HG21  VAL   6          1HG2      VAL   6  -7.745  10.015   6.117
   55   HG22  VAL   6          2HG2      VAL   6  -6.659   9.778   7.487
   56   HG23  VAL   6          3HG2      VAL   6  -6.730  11.344   6.679
   57    H    ILE   7           H        ILE   7  -5.245  11.076   2.482
   58    HA   ILE   7           HA       ILE   7  -7.089  13.254   2.829
   59    HB   ILE   7           HB       ILE   7  -4.647  12.784   1.201
   60   HG12  ILE   7          2HG1      ILE   7  -4.874  15.428   2.179
   61   HG13  ILE   7          3HG1      ILE   7  -5.486  14.370   3.446
   62   HG21  ILE   7          1HG2      ILE   7  -5.166  15.041   0.072
   63   HG22  ILE   7          2HG2      ILE   7  -5.914  13.583  -0.576
   64   HG23  ILE   7          3HG2      ILE   7  -6.848  14.671   0.451
   65   HD11  ILE   7          1HD1      ILE   7  -3.346  13.032   3.125
   66   HD12  ILE   7          2HD1      ILE   7  -2.762  14.419   2.205
   67   HD13  ILE   7          3HD1      ILE   7  -3.212  14.611   3.899
   68    HA   PRO   8           HA       PRO   8  -8.391  12.028  -1.662
   69    HB2  PRO   8          2HB       PRO   8  -7.484   9.652  -2.613
   70    HB3  PRO   8          3HB       PRO   8  -6.603  11.171  -2.823
   71    HG2  PRO   8          2HG       PRO   8  -6.174   8.994  -0.813
   72    HG3  PRO   8          3HG       PRO   8  -4.975   9.902  -1.752
   73    HD2  PRO   8          2HD       PRO   8  -5.536  10.474   0.834
   74    HD3  PRO   8          3HD       PRO   8  -5.056  11.719  -0.337
   75    H    DBB   9           H        DBB   9  -7.788   8.723  -0.515
   76    HA   DBB   9           HA       DBB   9 -10.703   8.235  -0.456
   77    HB2  DBB   9          3HB       DBB   9  -9.810   6.829   1.763
   78    HG1  DBB   9          1HG       DBB   9  -7.645   8.161   1.554
   79    HG2  DBB   9          2HG       DBB   9  -8.601   9.621   1.905
   80    HG3  DBB   9          3HG       DBB   9  -8.483   8.324   3.117
   81    H    VAL  10           H        VAL  10  -7.702   6.576   0.539
   82    HA   VAL  10           HA       VAL  10  -8.492   4.322  -1.179
   83    HB   VAL  10           HB       VAL  10  -6.175   3.980  -1.858
   84   HG11  VAL  10          1HG1      VAL  10  -6.027   6.521  -2.905
   85   HG12  VAL  10          2HG1      VAL  10  -6.924   5.167  -3.596
   86   HG13  VAL  10          3HG1      VAL  10  -7.745   6.331  -2.554
   87   HG21  VAL  10          1HG2      VAL  10  -4.670   4.782  -0.383
   88   HG22  VAL  10          2HG2      VAL  10  -4.761   6.231  -1.384
   89   HG23  VAL  10          3HG2      VAL  10  -5.703   6.126   0.103
   90    H    DAL  11           H        DAL  11  -6.628   2.507  -0.675
   91    HA   DAL  11           HA       DAL  11  -5.537   2.179   1.867
   92    HB1  DAL  11          2HB       DAL  11  -5.656   0.638  -0.373
   93    HB2  DAL  11          3HB       DAL  11  -5.150   0.010   1.213
   94    H    HIS  12           H        HIS  12  -6.686   2.687   3.638
   95    HA   HIS  12           HA       HIS  12  -9.469   1.993   3.907
   96    HB2  HIS  12          2HB       HIS  12  -9.007   0.661   6.036
   97    HB3  HIS  12          3HB       HIS  12  -8.672  -0.150   4.509
   98    HD1  HIS  12           HD1      HIS  12  -6.139  -0.454   3.871
   99    HD2  HIS  12           HD2      HIS  12  -6.826   1.024   7.693
  100    HE1  HIS  12           HE1      HIS  12  -3.957  -0.713   5.095
  101    H    ASP  13           H        ASP  13  -9.239   4.383   4.042
  102    HA   ASP  13           HA       ASP  13  -8.860   5.169   6.846
  103    HB2  ASP  13          2HB       ASP  13  -6.993   5.839   5.038
  104    HB3  ASP  13          3HB       ASP  13  -8.120   7.167   4.776
  105    H    CYS  14           H        CYS  14 -10.316   5.835   3.711
  106    HA   CYS  14           HA       CYS  14 -12.056   7.887   4.724
  107    HB2  CYS  14          2HB       CYS  14 -11.741   6.471   2.100
  108    HB3  CYS  14          3HB       CYS  14 -13.189   7.424   2.409
  109    H    HIS  15           H        HIS  15 -13.049   4.974   2.960
  110    HA   HIS  15           HA       HIS  15 -15.015   4.431   5.081
  111    HB2  HIS  15          2HB       HIS  15 -15.519   4.315   2.100
  112    HB3  HIS  15          3HB       HIS  15 -16.665   3.833   3.347
  113    HD1  HIS  15           HD1      HIS  15 -17.925   5.688   4.578
  114    HD2  HIS  15           HD2      HIS  15 -15.161   7.102   1.818
  115    HE1  HIS  15           HE1      HIS  15 -18.414   8.143   4.335
  116    H    MET  16           H        MET  16 -12.400   3.310   3.490
  117    HA   MET  16           HA       MET  16 -11.412   1.273   3.285
  118    HB2  MET  16          2HB       MET  16 -12.692   1.157   5.651
  119    HB3  MET  16          3HB       MET  16 -13.520  -0.147   4.812
  120    HG2  MET  16          2HG       MET  16 -10.781  -0.497   4.308
  121    HG3  MET  16          3HG       MET  16 -10.932  -0.123   6.023
  122    HE1  MET  16          1HE       MET  16 -13.006  -1.356   7.457
  123    HE2  MET  16          2HE       MET  16 -12.644  -3.078   7.578
  124    HE3  MET  16          3HE       MET  16 -11.350  -1.890   7.746
  125    H    ASN  17           H        ASN  17 -11.677  -0.897   2.330
  126    HA   ASN  17           HA       ASN  17 -12.469  -2.315   0.737
  127    HB2  ASN  17          2HB       ASN  17 -14.749  -1.574   2.252
  128    HB3  ASN  17          3HB       ASN  17 -15.227  -1.551   0.557
  129   HD21  ASN  17          1HD2      ASN  17 -15.705  -3.412  -0.389
  130   HD22  ASN  17          2HD2      ASN  17 -15.395  -4.980   0.268
  131    H    DAL  18           H        DAL  18 -12.022   0.766   0.343
  132    HA   DAL  18           HA       DAL  18 -12.376   0.706  -2.541
  133    HB1  DAL  18          2HB       DAL  18 -10.877   2.441  -2.550
  134    HB2  DAL  18          3HB       DAL  18 -11.679   3.271  -1.195
  135    H    PHE  19           H        PHE  19 -13.860   1.797  -3.719
  136    HA   PHE  19           HA       PHE  19 -16.337   2.442  -2.601
  137    HB2  PHE  19          2HB       PHE  19 -15.444   4.404  -1.632
  138    HB3  PHE  19          3HB       PHE  19 -14.498   4.781  -3.068
  139    HD1  PHE  19           HD1      PHE  19 -18.062   3.794  -2.964
  140    HD2  PHE  19           HD2      PHE  19 -15.260   6.944  -3.550
  141    HE1  PHE  19           HE1      PHE  19 -19.874   5.251  -3.769
  142    HE2  PHE  19           HE2      PHE  19 -17.067   8.406  -4.355
  143    HZ   PHE  19           HZ       PHE  19 -19.378   7.561  -4.465
  144    H    GLN  20           H        GLN  20 -14.652   4.346  -5.068
  145    HA   GLN  20           HA       GLN  20 -16.672   3.969  -6.998
  146    HB2  GLN  20          2HB       GLN  20 -14.870   4.861  -8.588
  147    HB3  GLN  20          3HB       GLN  20 -15.369   5.902  -7.262
  148    HG2  GLN  20          2HG       GLN  20 -13.126   4.176  -6.581
  149    HG3  GLN  20          3HG       GLN  20 -12.791   5.261  -7.929
  150   HE21  GLN  20          1HE2      GLN  20 -12.748   4.952  -4.641
  151   HE22  GLN  20          2HE2      GLN  20 -12.700   6.621  -4.201
  152    H    PHE  21           H        PHE  21 -14.036   2.013  -6.042
  153    HA   PHE  21           HA       PHE  21 -14.327   0.367  -8.468
  154    HB2  PHE  21          2HB       PHE  21 -12.030  -0.383  -6.925
  155    HB3  PHE  21          3HB       PHE  21 -12.098   0.241  -8.570
  156    HD1  PHE  21           HD1      PHE  21 -11.375   2.409  -9.068
  157    HD2  PHE  21           HD2      PHE  21 -11.964   1.255  -5.013
  158    HE1  PHE  21           HE1      PHE  21 -10.304   4.495  -8.322
  159    HE2  PHE  21           HE2      PHE  21 -10.894   3.339  -4.261
  160    HZ   PHE  21           HZ       PHE  21 -10.063   4.963  -5.916
  161    H    VAL  22           H        VAL  22 -13.203  -0.205  -5.135
  162    HA   VAL  22           HA       VAL  22 -13.772  -1.768  -3.580
  163    HB   VAL  22           HB       VAL  22 -16.306  -2.155  -5.178
  164   HG11  VAL  22          1HG1      VAL  22 -15.600  -2.758  -2.309
  165   HG12  VAL  22          2HG1      VAL  22 -17.226  -2.863  -2.988
  166   HG13  VAL  22          3HG1      VAL  22 -15.950  -3.925  -3.584
  167   HG21  VAL  22          1HG2      VAL  22 -16.719  -0.569  -2.862
  168   HG22  VAL  22          2HG2      VAL  22 -15.392   0.144  -3.779
  169   HG23  VAL  22          3HG2      VAL  22 -16.954  -0.125  -4.553
  170    H    PHE  23           H        PHE  23 -12.948  -3.744  -3.380
  171    HA   PHE  23           HA       PHE  23 -13.624  -5.983  -4.898
  172    HB2  PHE  23          2HB       PHE  23 -12.089  -4.352  -6.445
  173    HB3  PHE  23          3HB       PHE  23 -10.854  -5.360  -5.698
  174    HD1  PHE  23           HD1      PHE  23 -14.286  -6.001  -7.021
  175    HD2  PHE  23           HD2      PHE  23 -10.153  -7.015  -7.113
  176    HE1  PHE  23           HE1      PHE  23 -14.763  -7.783  -8.649
  177    HE2  PHE  23           HE2      PHE  23 -10.623  -8.799  -8.742
  178    HZ   PHE  23           HZ       PHE  23 -12.931  -9.184  -9.512
  179    H    DBU  24           H        DBU  24 -10.393  -4.859  -3.920
  180    HB   DBU  24           HB       DBU  24  -8.881  -7.718  -1.470
  181    HG1  DBU  24          1HG       DBU  24  -9.105  -9.195  -3.463
  182    HG2  DBU  24          2HG       DBU  24 -10.377  -8.145  -4.102
  183    HG3  DBU  24          3HG       DBU  24 -10.692  -9.161  -2.684
  184    H    CYS  25           H        CYS  25  -9.646  -3.637  -2.602
  185    HA   CYS  25           HA       CYS  25  -9.198  -3.120   0.187
  186    HB2  CYS  25          2HB       CYS  25  -6.967  -3.811  -0.247
  187    HB3  CYS  25          3HB       CYS  25  -6.920  -2.948  -1.780
  188    H    CYS  26           H        CYS  26  -8.070  -1.499  -2.775
  189    HA   CYS  26           HA       CYS  26 -10.204   0.394  -2.789
  190    HB2  CYS  26          2HB       CYS  26  -7.709   1.037  -1.342
  191    HB3  CYS  26          3HB       CYS  26  -8.270   2.271  -2.465
  192    H    SER  27           H        SER  27  -6.797   1.004  -3.522
  193    HA   SER  27           HA       SER  27  -7.531   1.287  -6.348
  194    HB2  SER  27          2HB       SER  27  -5.392   2.531  -6.555
  195    HB3  SER  27          3HB       SER  27  -6.473   3.247  -5.359
  196    HG   SER  27           HG       SER  27  -5.220   2.455  -3.741
  Start of MODEL   18
    1    H1   LYS   1           H        LYS   1  -0.072   0.089  -6.025
    2    HA   LYS   1           HA       LYS   1  -0.397   2.057  -7.286
    3    HB2  LYS   1          2HB       LYS   1  -3.137   0.867  -7.595
    4    HB3  LYS   1          3HB       LYS   1  -2.859   2.570  -7.934
    5    HG2  LYS   1          2HG       LYS   1  -1.851   2.140  -9.879
    6    HG3  LYS   1          3HG       LYS   1  -0.936   0.784  -9.216
    7    HD2  LYS   1          2HD       LYS   1  -2.920  -0.638  -9.389
    8    HD3  LYS   1          3HD       LYS   1  -3.838   0.720 -10.045
    9    HE2  LYS   1          2HE       LYS   1  -2.692   0.690 -12.055
   10    HE3  LYS   1          3HE       LYS   1  -1.298  -0.141 -11.365
   11    HZ1  LYS   1          1HZ       LYS   1  -3.925  -1.475 -11.562
   12    HZ2  LYS   1          2HZ       LYS   1  -2.392  -2.174 -11.410
   13    HZ3  LYS   1          3HZ       LYS   1  -2.855  -1.461 -12.872
   14    H    LYS   2           H        LYS   2   0.179   3.062  -5.361
   15    HA   LYS   2           HA       LYS   2  -0.075   4.360  -3.510
   16    HB2  LYS   2          2HB       LYS   2  -2.669   4.825  -4.956
   17    HB3  LYS   2          3HB       LYS   2  -2.343   5.602  -3.412
   18    HG2  LYS   2          2HG       LYS   2  -0.230   5.854  -5.450
   19    HG3  LYS   2          3HG       LYS   2  -1.746   6.692  -5.790
   20    HD2  LYS   2          2HD       LYS   2  -0.624   8.310  -4.610
   21    HD3  LYS   2          3HD       LYS   2  -1.486   7.497  -3.302
   22    HE2  LYS   2          2HE       LYS   2   0.978   6.141  -3.744
   23    HE3  LYS   2          3HE       LYS   2   1.309   7.868  -3.619
   24    HZ1  LYS   2          1HZ       LYS   2   1.401   7.034  -1.444
   25    HZ2  LYS   2          2HZ       LYS   2  -0.010   6.119  -1.629
   26    HZ3  LYS   2          3HZ       LYS   2  -0.101   7.806  -1.547
   27    H    LYS   3           H        LYS   3  -0.617   1.583  -3.208
   28    HA   LYS   3           HA       LYS   3  -2.940   0.945  -1.828
   29    HB2  LYS   3          2HB       LYS   3  -1.122  -0.632  -2.621
   30    HB3  LYS   3          3HB       LYS   3  -0.212  -0.177  -1.186
   31    HG2  LYS   3          2HG       LYS   3  -1.411  -1.516   0.127
   32    HG3  LYS   3          3HG       LYS   3  -2.939  -0.987  -0.581
   33    HD2  LYS   3          2HD       LYS   3  -2.620  -2.497  -2.457
   34    HD3  LYS   3          3HD       LYS   3  -1.046  -2.984  -1.823
   35    HE2  LYS   3          2HE       LYS   3  -3.159  -3.274   0.143
   36    HE3  LYS   3          3HE       LYS   3  -3.485  -4.201  -1.320
   37    HZ1  LYS   3          1HZ       LYS   3  -2.018  -5.137   0.656
   38    HZ2  LYS   3          2HZ       LYS   3  -0.790  -4.372  -0.220
   39    HZ3  LYS   3          3HZ       LYS   3  -1.737  -5.566  -0.957
   40    H    SER   4           H        SER   4   0.155   2.131  -0.543
   41    HA   SER   4           HA       SER   4  -0.958   2.349   2.127
   42    HB2  SER   4          2HB       SER   4   1.406   3.438   2.498
   43    HB3  SER   4          3HB       SER   4   1.265   1.696   2.263
   44    HG   SER   4           HG       SER   4   2.375   1.885   0.497
   45    H    GLY   5           H        GLY   5  -2.631   3.879   1.163
   46    HA2  GLY   5          2HA       GLY   5  -1.644   6.624   1.547
   47    HA3  GLY   5          3HA       GLY   5  -2.625   6.249   0.138
   48    H    VAL   6           H        VAL   6  -3.452   8.199   1.846
   49    HA   VAL   6           HA       VAL   6  -5.967   7.099   2.773
   50    HB   VAL   6           HB       VAL   6  -5.726   8.345   4.989
   51   HG11  VAL   6          1HG1      VAL   6  -5.667   5.836   4.601
   52   HG12  VAL   6          2HG1      VAL   6  -3.912   5.962   4.730
   53   HG13  VAL   6          3HG1      VAL   6  -4.933   6.422   6.093
   54   HG21  VAL   6          1HG2      VAL   6  -3.633   9.532   4.272
   55   HG22  VAL   6          2HG2      VAL   6  -3.540   8.747   5.848
   56   HG23  VAL   6          3HG2      VAL   6  -2.784   7.996   4.443
   57    H    ILE   7           H        ILE   7  -4.882   9.042   0.771
   58    HA   ILE   7           HA       ILE   7  -5.861  11.615   1.663
   59    HB   ILE   7           HB       ILE   7  -4.505  10.600  -0.781
   60   HG12  ILE   7          2HG1      ILE   7  -3.338  12.885  -0.376
   61   HG13  ILE   7          3HG1      ILE   7  -4.177  12.863   1.171
   62   HG21  ILE   7          1HG2      ILE   7  -6.221  11.655  -1.937
   63   HG22  ILE   7          2HG2      ILE   7  -6.391  12.923  -0.724
   64   HG23  ILE   7          3HG2      ILE   7  -4.997  12.917  -1.803
   65   HD11  ILE   7          1HD1      ILE   7  -2.654  11.513   2.030
   66   HD12  ILE   7          2HD1      ILE   7  -2.869  10.353   0.718
   67   HD13  ILE   7          3HD1      ILE   7  -1.729  11.686   0.538
   68    HA   PRO   8           HA       PRO   8  -9.180  10.683  -1.724
   69    HB2  PRO   8          2HB       PRO   8  -9.248   8.168  -2.742
   70    HB3  PRO   8          3HB       PRO   8  -8.268   9.462  -3.443
   71    HG2  PRO   8          2HG       PRO   8  -7.445   7.245  -1.606
   72    HG3  PRO   8          3HG       PRO   8  -6.617   7.874  -3.042
   73    HD2  PRO   8          2HD       PRO   8  -5.888   8.555  -0.525
   74    HD3  PRO   8          3HD       PRO   8  -5.729   9.668  -1.899
   75    H    DBB   9           H        DBB   9  -8.500   7.548  -0.149
   76    HA   DBB   9           HA       DBB   9 -11.286   7.494   0.868
   77    HB2  DBB   9          3HB       DBB   9  -9.831   6.386   2.945
   78    HG1  DBB   9          1HG       DBB   9  -7.960   7.813   3.436
   79    HG2  DBB   9          2HG       DBB   9  -7.752   7.291   1.747
   80    HG3  DBB   9          3HG       DBB   9  -8.370   8.921   2.105
   81    H    VAL  10           H        VAL  10  -8.347   5.549   1.377
   82    HA   VAL  10           HA       VAL  10  -9.787   3.255   0.210
   83    HB   VAL  10           HB       VAL  10  -7.173   2.536  -0.046
   84   HG11  VAL  10          1HG1      VAL  10  -9.212   3.692  -1.863
   85   HG12  VAL  10          2HG1      VAL  10  -7.568   3.524  -2.481
   86   HG13  VAL  10          3HG1      VAL  10  -8.438   2.108  -1.889
   87   HG21  VAL  10          1HG2      VAL  10  -6.655   4.956   0.670
   88   HG22  VAL  10          2HG2      VAL  10  -5.819   4.301  -0.738
   89   HG23  VAL  10          3HG2      VAL  10  -7.188   5.393  -0.954
   90    H    DAL  11           H        DAL  11  -6.733   3.604   1.999
   91    HA   DAL  11           HA       DAL  11  -5.962   2.641   3.962
   92    HB1  DAL  11          2HB       DAL  11  -6.548   0.287   4.294
   93    HB2  DAL  11          3HB       DAL  11  -7.953   0.454   3.215
   94    H    HIS  12           H        HIS  12  -6.982   1.369   6.011
   95    HA   HIS  12           HA       HIS  12  -9.627   2.064   6.751
   96    HB2  HIS  12          2HB       HIS  12  -8.056   0.239   7.726
   97    HB3  HIS  12          3HB       HIS  12  -7.445   1.536   8.749
   98    HD1  HIS  12           HD1      HIS  12  -8.723  -0.689  10.220
   99    HD2  HIS  12           HD2      HIS  12 -10.935   2.484   8.705
  100    HE1  HIS  12           HE1      HIS  12 -10.843  -0.641  11.572
  101    H    ASP  13           H        ASP  13  -9.806   4.299   6.311
  102    HA   ASP  13           HA       ASP  13  -9.041   5.964   8.540
  103    HB2  ASP  13          2HB       ASP  13  -7.069   6.056   6.985
  104    HB3  ASP  13          3HB       ASP  13  -8.130   6.763   5.770
  105    H    CYS  14           H        CYS  14 -10.486   5.762   5.320
  106    HA   CYS  14           HA       CYS  14 -12.274   7.984   5.924
  107    HB2  CYS  14          2HB       CYS  14 -11.860   6.334   3.426
  108    HB3  CYS  14          3HB       CYS  14 -13.064   7.611   3.566
  109    H    HIS  15           H        HIS  15 -13.055   5.022   4.161
  110    HA   HIS  15           HA       HIS  15 -15.196   4.486   6.108
  111    HB2  HIS  15          2HB       HIS  15 -16.481   3.636   4.008
  112    HB3  HIS  15          3HB       HIS  15 -16.439   5.364   4.348
  113    HD1  HIS  15           HD1      HIS  15 -15.515   2.862   1.819
  114    HD2  HIS  15           HD2      HIS  15 -14.650   6.842   2.641
  115    HE1  HIS  15           HE1      HIS  15 -14.492   3.777  -0.288
  116    H    MET  16           H        MET  16 -12.542   3.343   4.381
  117    HA   MET  16           HA       MET  16 -11.616   1.288   4.046
  118    HB2  MET  16          2HB       MET  16 -11.962   1.514   6.629
  119    HB3  MET  16          3HB       MET  16 -13.181   0.270   6.390
  120    HG2  MET  16          2HG       MET  16 -10.794  -0.502   5.039
  121    HG3  MET  16          3HG       MET  16 -10.400  -0.040   6.693
  122    HE1  MET  16          1HE       MET  16  -9.613  -2.874   6.440
  123    HE2  MET  16          2HE       MET  16 -10.856  -4.092   6.151
  124    HE3  MET  16          3HE       MET  16 -10.469  -2.911   4.898
  125    H    ASN  17           H        ASN  17 -14.212   1.829   2.776
  126    HA   ASN  17           HA       ASN  17 -15.181  -0.941   2.503
  127    HB2  ASN  17          2HB       ASN  17 -16.618   1.460   3.040
  128    HB3  ASN  17          3HB       ASN  17 -17.072   0.908   1.431
  129   HD21  ASN  17          1HD2      ASN  17 -17.548  -1.487   1.307
  130   HD22  ASN  17          2HD2      ASN  17 -18.493  -2.150   2.594
  131    H    DAL  18           H        DAL  18 -13.928   1.856   0.911
  132    HA   DAL  18           HA       DAL  18 -13.548   0.352  -1.565
  133    HB1  DAL  18          2HB       DAL  18 -12.888   3.272  -1.358
  134    HB2  DAL  18          3HB       DAL  18 -11.986   2.153  -0.309
  135    H    PHE  19           H        PHE  19 -13.851   1.877  -3.605
  136    HA   PHE  19           HA       PHE  19 -16.615   2.101  -4.020
  137    HB2  PHE  19          2HB       PHE  19 -17.025   4.428  -4.043
  138    HB3  PHE  19          3HB       PHE  19 -16.168   4.133  -2.534
  139    HD1  PHE  19           HD1      PHE  19 -13.423   4.104  -3.115
  140    HD2  PHE  19           HD2      PHE  19 -16.464   6.448  -4.954
  141    HE1  PHE  19           HE1      PHE  19 -11.742   5.789  -3.740
  142    HE2  PHE  19           HE2      PHE  19 -14.788   8.135  -5.583
  143    HZ   PHE  19           HZ       PHE  19 -12.423   7.807  -4.977
  144    H    GLN  20           H        GLN  20 -17.010   2.017  -6.153
  145    HA   GLN  20           HA       GLN  20 -16.700   2.075  -8.409
  146    HB2  GLN  20          2HB       GLN  20 -14.281   3.814  -7.975
  147    HB3  GLN  20          3HB       GLN  20 -15.327   3.738  -9.387
  148    HG2  GLN  20          2HG       GLN  20 -16.123   4.790  -6.682
  149    HG3  GLN  20          3HG       GLN  20 -15.673   5.772  -8.074
  150   HE21  GLN  20          1HE2      GLN  20 -16.966   5.138 -10.112
  151   HE22  GLN  20          2HE2      GLN  20 -18.671   4.983  -9.884
  152    H    PHE  21           H        PHE  21 -13.337   2.359  -7.277
  153    HA   PHE  21           HA       PHE  21 -12.689  -0.056  -8.798
  154    HB2  PHE  21          2HB       PHE  21 -10.285   0.712  -8.183
  155    HB3  PHE  21          3HB       PHE  21 -11.184   1.623  -9.392
  156    HD1  PHE  21           HD1      PHE  21 -11.538   3.907  -9.131
  157    HD2  PHE  21           HD2      PHE  21 -10.294   1.582  -5.790
  158    HE1  PHE  21           HE1      PHE  21 -11.208   5.966  -7.825
  159    HE2  PHE  21           HE2      PHE  21  -9.963   3.636  -4.478
  160    HZ   PHE  21           HZ       PHE  21 -10.422   5.832  -5.495
  161    H    VAL  22           H        VAL  22 -14.125  -0.591  -6.530
  162    HA   VAL  22           HA       VAL  22 -12.571  -1.080  -4.223
  163    HB   VAL  22           HB       VAL  22 -14.400  -2.599  -3.538
  164   HG11  VAL  22          1HG1      VAL  22 -14.987   0.146  -4.569
  165   HG12  VAL  22          2HG1      VAL  22 -16.264  -0.816  -3.821
  166   HG13  VAL  22          3HG1      VAL  22 -14.812  -0.411  -2.905
  167   HG21  VAL  22          1HG2      VAL  22 -16.423  -2.636  -5.078
  168   HG22  VAL  22          2HG2      VAL  22 -15.327  -2.111  -6.356
  169   HG23  VAL  22          3HG2      VAL  22 -15.057  -3.651  -5.540
  170    H    PHE  23           H        PHE  23 -11.057  -2.554  -3.867
  171    HA   PHE  23           HA       PHE  23 -11.231  -5.254  -4.613
  172    HB2  PHE  23          2HB       PHE  23 -10.668  -3.934  -6.835
  173    HB3  PHE  23          3HB       PHE  23  -9.035  -3.967  -6.178
  174    HD1  PHE  23           HD1      PHE  23  -7.714  -5.632  -7.016
  175    HD2  PHE  23           HD2      PHE  23 -11.874  -6.374  -6.505
  176    HE1  PHE  23           HE1      PHE  23  -7.411  -7.912  -7.888
  177    HE2  PHE  23           HE2      PHE  23 -11.577  -8.656  -7.375
  178    HZ   PHE  23           HZ       PHE  23  -9.343  -9.428  -8.067
  179    H    DBU  24           H        DBU  24  -8.489  -2.975  -4.596
  180    HB   DBU  24           HB       DBU  24  -5.350  -3.950  -2.535
  181    HG1  DBU  24          1HG       DBU  24  -6.287  -5.301  -5.042
  182    HG2  DBU  24          2HG       DBU  24  -4.641  -4.983  -4.479
  183    HG3  DBU  24          3HG       DBU  24  -5.548  -3.721  -5.331
  184    H    CYS  25           H        CYS  25  -6.500  -1.500  -1.991
  185    HA   CYS  25           HA       CYS  25  -7.123  -2.168   0.737
  186    HB2  CYS  25          2HB       CYS  25  -5.118  -0.813  -0.023
  187    HB3  CYS  25          3HB       CYS  25  -6.233   0.516  -0.322
  188    H    CYS  26           H        CYS  26  -8.981  -1.104  -1.756
  189    HA   CYS  26           HA       CYS  26 -10.557   0.863  -0.367
  190    HB2  CYS  26          2HB       CYS  26 -10.281  -0.042  -3.050
  191    HB3  CYS  26          3HB       CYS  26 -11.969  -0.241  -2.591
  192    H    SER  27           H        SER  27 -11.466  -2.292  -1.764
  193    HA   SER  27           HA       SER  27 -13.728  -2.492   0.010
  194    HB2  SER  27          2HB       SER  27 -14.416  -3.616  -1.818
  195    HB3  SER  27          3HB       SER  27 -12.765  -3.860  -2.388
  196    HG   SER  27           HG       SER  27 -14.392  -5.610  -1.200
  Start of MODEL   19
    1    H1   LYS   1           H        LYS   1   1.091  -2.817  -1.511
    2    HA   LYS   1           HA       LYS   1  -1.243  -3.648  -3.110
    3    HB2  LYS   1          2HB       LYS   1  -1.155  -3.718  -0.430
    4    HB3  LYS   1          3HB       LYS   1  -1.643  -2.042  -0.643
    5    HG2  LYS   1          2HG       LYS   1  -3.681  -3.058  -0.508
    6    HG3  LYS   1          3HG       LYS   1  -3.425  -3.092  -2.255
    7    HD2  LYS   1          2HD       LYS   1  -2.353  -5.405  -1.814
    8    HD3  LYS   1          3HD       LYS   1  -3.195  -5.323  -0.265
    9    HE2  LYS   1          2HE       LYS   1  -5.052  -4.572  -2.250
   10    HE3  LYS   1          3HE       LYS   1  -4.220  -6.006  -2.849
   11    HZ1  LYS   1          1HZ       LYS   1  -4.923  -6.265  -0.099
   12    HZ2  LYS   1          2HZ       LYS   1  -5.292  -7.279  -1.401
   13    HZ3  LYS   1          3HZ       LYS   1  -6.285  -5.954  -1.053
   14    H    LYS   2           H        LYS   2   0.598  -1.948  -4.238
   15    HA   LYS   2           HA       LYS   2   0.787   0.042  -5.321
   16    HB2  LYS   2          2HB       LYS   2  -2.137   0.298  -4.590
   17    HB3  LYS   2          3HB       LYS   2  -1.295   1.286  -5.777
   18    HG2  LYS   2          2HG       LYS   2  -2.046  -0.198  -7.260
   19    HG3  LYS   2          3HG       LYS   2  -0.750  -1.236  -6.661
   20    HD2  LYS   2          2HD       LYS   2  -2.441  -2.029  -4.912
   21    HD3  LYS   2          3HD       LYS   2  -3.664  -1.256  -5.923
   22    HE2  LYS   2          2HE       LYS   2  -3.635  -2.938  -7.386
   23    HE3  LYS   2          3HE       LYS   2  -1.875  -2.913  -7.483
   24    HZ1  LYS   2          1HZ       LYS   2  -3.448  -4.248  -5.346
   25    HZ2  LYS   2          2HZ       LYS   2  -1.764  -4.264  -5.500
   26    HZ3  LYS   2          3HZ       LYS   2  -2.726  -5.034  -6.659
   27    H    LYS   3           H        LYS   3   0.259   2.527  -5.028
   28    HA   LYS   3           HA       LYS   3   1.037   3.161  -2.277
   29    HB2  LYS   3          2HB       LYS   3   2.537   3.991  -3.985
   30    HB3  LYS   3          3HB       LYS   3   1.205   4.767  -4.832
   31    HG2  LYS   3          2HG       LYS   3   1.088   6.501  -3.352
   32    HG3  LYS   3          3HG       LYS   3   1.723   5.545  -2.011
   33    HD2  LYS   3          2HD       LYS   3   3.432   6.262  -4.373
   34    HD3  LYS   3          3HD       LYS   3   3.227   7.371  -3.016
   35    HE2  LYS   3          2HE       LYS   3   3.853   5.248  -1.603
   36    HE3  LYS   3          3HE       LYS   3   4.579   4.714  -3.118
   37    HZ1  LYS   3          1HZ       LYS   3   5.903   6.143  -1.362
   38    HZ2  LYS   3          2HZ       LYS   3   5.194   7.421  -2.213
   39    HZ3  LYS   3          3HZ       LYS   3   6.172   6.304  -3.025
   40    H    SER   4           H        SER   4  -0.234   4.272  -0.923
   41    HA   SER   4           HA       SER   4  -2.453   5.853  -1.955
   42    HB2  SER   4          2HB       SER   4  -2.885   3.626   0.051
   43    HB3  SER   4          3HB       SER   4  -4.110   4.749  -0.537
   44    HG   SER   4           HG       SER   4  -3.451   3.860  -2.701
   45    H    GLY   5           H        GLY   5  -3.662   6.884  -0.008
   46    HA2  GLY   5          2HA       GLY   5  -1.877   7.375   2.259
   47    HA3  GLY   5          3HA       GLY   5  -2.302   8.752   1.253
   48    H    VAL   6           H        VAL   6  -3.517   9.913   2.660
   49    HA   VAL   6           HA       VAL   6  -6.058   8.694   3.486
   50    HB   VAL   6           HB       VAL   6  -4.428  10.490   5.284
   51   HG11  VAL   6          1HG1      VAL   6  -6.313  10.735   6.428
   52   HG12  VAL   6          2HG1      VAL   6  -7.170   9.713   5.272
   53   HG13  VAL   6          3HG1      VAL   6  -6.380   8.991   6.674
   54   HG21  VAL   6          1HG2      VAL   6  -4.426   7.574   4.921
   55   HG22  VAL   6          2HG2      VAL   6  -3.199   8.633   5.616
   56   HG23  VAL   6          3HG2      VAL   6  -4.577   8.121   6.591
   57    H    ILE   7           H        ILE   7  -7.080   9.812   1.799
   58    HA   ILE   7           HA       ILE   7  -7.795  12.526   2.455
   59    HB   ILE   7           HB       ILE   7  -7.137  12.556  -0.346
   60   HG12  ILE   7          2HG1      ILE   7  -4.789  12.157   1.518
   61   HG13  ILE   7          3HG1      ILE   7  -5.381  10.939   0.394
   62   HG21  ILE   7          1HG2      ILE   7  -6.332  14.677   0.136
   63   HG22  ILE   7          2HG2      ILE   7  -7.549  14.427   1.387
   64   HG23  ILE   7          3HG2      ILE   7  -5.839  14.228   1.769
   65   HD11  ILE   7          1HD1      ILE   7  -3.734  11.816  -0.878
   66   HD12  ILE   7          2HD1      ILE   7  -5.024  12.934  -1.325
   67   HD13  ILE   7          3HD1      ILE   7  -3.832  13.402  -0.112
   68    HA   PRO   8           HA       PRO   8 -10.527  10.998  -1.215
   69    HB2  PRO   8          2HB       PRO   8  -9.882   8.624  -2.363
   70    HB3  PRO   8          3HB       PRO   8  -9.217  10.167  -2.910
   71    HG2  PRO   8          2HG       PRO   8  -7.989   8.101  -1.126
   72    HG3  PRO   8          3HG       PRO   8  -7.248   9.017  -2.451
   73    HD2  PRO   8          2HD       PRO   8  -6.895   9.677   0.151
   74    HD3  PRO   8          3HD       PRO   8  -6.928  10.890  -1.146
   75    H    DBB   9           H        DBB   9  -9.157   8.118   0.393
   76    HA   DBB   9           HA       DBB   9 -11.914   7.340   1.207
   77    HB2  DBB   9          3HB       DBB   9 -10.445   6.305   3.220
   78    HG1  DBB   9          1HG       DBB   9  -8.342   7.281   2.180
   79    HG2  DBB   9          2HG       DBB   9  -9.003   8.897   2.528
   80    HG3  DBB   9          3HG       DBB   9  -8.637   7.780   3.864
   81    H    VAL  10           H        VAL  10  -8.584   6.332   0.543
   82    HA   VAL  10           HA       VAL  10  -9.550   3.589   0.097
   83    HB   VAL  10           HB       VAL  10  -8.386   3.372  -1.955
   84   HG11  VAL  10          1HG1      VAL  10 -10.490   5.125  -1.648
   85   HG12  VAL  10          2HG1      VAL  10  -9.346   6.030  -2.640
   86   HG13  VAL  10          3HG1      VAL  10  -9.917   4.448  -3.172
   87   HG21  VAL  10          1HG2      VAL  10  -7.071   5.920  -1.135
   88   HG22  VAL  10          2HG2      VAL  10  -6.354   4.433  -1.755
   89   HG23  VAL  10          3HG2      VAL  10  -7.199   5.528  -2.850
   90    H    DAL  11           H        DAL  11  -8.164   1.968   0.666
   91    HA   DAL  11           HA       DAL  11  -5.387   2.608   1.429
   92    HB1  DAL  11          2HB       DAL  11  -5.222   0.102   1.696
   93    HB2  DAL  11          3HB       DAL  11  -6.923  -0.016   1.186
   94    H    HIS  12           H        HIS  12  -8.471   1.584   2.770
   95    HA   HIS  12           HA       HIS  12  -9.241   1.434   4.905
   96    HB2  HIS  12          2HB       HIS  12  -7.608  -0.414   5.049
   97    HB3  HIS  12          3HB       HIS  12  -6.371   0.732   5.559
   98    HD1  HIS  12           HD1      HIS  12  -6.504  -1.193   7.600
   99    HD2  HIS  12           HD2      HIS  12  -9.470   1.709   7.397
  100    HE1  HIS  12           HE1      HIS  12  -7.546  -1.137   9.887
  101    H    ASP  13           H        ASP  13  -9.862   3.423   5.514
  102    HA   ASP  13           HA       ASP  13  -8.442   4.855   7.448
  103    HB2  ASP  13          2HB       ASP  13  -7.807   5.561   4.678
  104    HB3  ASP  13          3HB       ASP  13  -8.346   6.934   5.640
  105    H    CYS  14           H        CYS  14 -10.732   5.134   4.766
  106    HA   CYS  14           HA       CYS  14 -12.376   6.978   6.329
  107    HB2  CYS  14          2HB       CYS  14 -12.542   6.050   3.458
  108    HB3  CYS  14          3HB       CYS  14 -13.734   7.105   4.211
  109    H    HIS  15           H        HIS  15 -13.252   4.293   4.165
  110    HA   HIS  15           HA       HIS  15 -15.099   3.339   6.255
  111    HB2  HIS  15          2HB       HIS  15 -16.223   2.324   4.042
  112    HB3  HIS  15          3HB       HIS  15 -16.627   3.921   4.665
  113    HD1  HIS  15           HD1      HIS  15 -15.065   2.199   1.790
  114    HD2  HIS  15           HD2      HIS  15 -15.494   6.086   3.194
  115    HE1  HIS  15           HE1      HIS  15 -14.448   3.684  -0.144
  116    H    MET  16           H        MET  16 -12.465   2.589   4.234
  117    HA   MET  16           HA       MET  16 -11.213   0.715   3.938
  118    HB2  MET  16          2HB       MET  16 -11.485   0.679   6.463
  119    HB3  MET  16          3HB       MET  16 -12.769  -0.498   6.219
  120    HG2  MET  16          2HG       MET  16 -10.429  -1.294   4.772
  121    HG3  MET  16          3HG       MET  16 -10.021  -0.970   6.455
  122    HE1  MET  16          1HE       MET  16 -11.250  -2.886   8.612
  123    HE2  MET  16          2HE       MET  16 -10.347  -4.174   7.814
  124    HE3  MET  16          3HE       MET  16  -9.729  -2.522   7.796
  125    H    ASN  17           H        ASN  17 -14.089   0.997   2.885
  126    HA   ASN  17           HA       ASN  17 -14.542  -1.839   2.238
  127    HB2  ASN  17          2HB       ASN  17 -16.422  -0.631   3.350
  128    HB3  ASN  17          3HB       ASN  17 -16.488   0.462   1.972
  129   HD21  ASN  17          1HD2      ASN  17 -18.408  -0.034   1.113
  130   HD22  ASN  17          2HD2      ASN  17 -18.858  -1.603   0.545
  131    H    DAL  18           H        DAL  18 -13.482   1.124   0.984
  132    HA   DAL  18           HA       DAL  18 -13.305  -0.017  -1.722
  133    HB1  DAL  18          2HB       DAL  18 -12.271   2.709  -0.909
  134    HB2  DAL  18          3HB       DAL  18 -11.421   1.239  -0.376
  135    H    PHE  19           H        PHE  19 -13.357   2.134  -3.324
  136    HA   PHE  19           HA       PHE  19 -16.085   2.593  -3.743
  137    HB2  PHE  19          2HB       PHE  19 -15.837   4.040  -1.735
  138    HB3  PHE  19          3HB       PHE  19 -14.640   4.994  -2.605
  139    HD1  PHE  19           HD1      PHE  19 -17.979   3.614  -3.540
  140    HD2  PHE  19           HD2      PHE  19 -15.501   7.051  -3.134
  141    HE1  PHE  19           HE1      PHE  19 -19.777   5.015  -4.465
  142    HE2  PHE  19           HE2      PHE  19 -17.296   8.458  -4.058
  143    HZ   PHE  19           HZ       PHE  19 -19.437   7.441  -4.724
  144    H    GLN  20           H        GLN  20 -16.503   3.960  -5.593
  145    HA   GLN  20           HA       GLN  20 -16.035   4.910  -7.616
  146    HB2  GLN  20          2HB       GLN  20 -13.133   5.010  -6.802
  147    HB3  GLN  20          3HB       GLN  20 -13.946   5.990  -8.014
  148    HG2  GLN  20          2HG       GLN  20 -14.510   6.098  -5.061
  149    HG3  GLN  20          3HG       GLN  20 -13.454   7.210  -5.930
  150   HE21  GLN  20          1HE2      GLN  20 -14.458   9.089  -6.025
  151   HE22  GLN  20          2HE2      GLN  20 -16.098   9.339  -6.507
  152    H    PHE  21           H        PHE  21 -13.249   2.864  -6.722
  153    HA   PHE  21           HA       PHE  21 -13.568   1.464  -9.289
  154    HB2  PHE  21          2HB       PHE  21 -11.142   0.663  -8.168
  155    HB3  PHE  21          3HB       PHE  21 -11.364   1.820  -9.475
  156    HD1  PHE  21           HD1      PHE  21 -11.446   4.244  -8.973
  157    HD2  PHE  21           HD2      PHE  21 -10.453   1.352  -6.013
  158    HE1  PHE  21           HE1      PHE  21 -10.480   6.019  -7.568
  159    HE2  PHE  21           HE2      PHE  21  -9.487   3.122  -4.603
  160    HZ   PHE  21           HZ       PHE  21  -9.500   5.459  -5.380
  161    H    VAL  22           H        VAL  22 -12.240   0.601  -6.095
  162    HA   VAL  22           HA       VAL  22 -12.535  -1.221  -4.762
  163    HB   VAL  22           HB       VAL  22 -15.149  -1.637  -6.213
  164   HG11  VAL  22          1HG1      VAL  22 -13.909  -3.204  -4.333
  165   HG12  VAL  22          2HG1      VAL  22 -14.989  -2.207  -3.357
  166   HG13  VAL  22          3HG1      VAL  22 -15.639  -3.184  -4.674
  167   HG21  VAL  22          1HG2      VAL  22 -14.310   0.568  -4.599
  168   HG22  VAL  22          2HG2      VAL  22 -15.871   0.287  -5.370
  169   HG23  VAL  22          3HG2      VAL  22 -15.564  -0.334  -3.749
  170    H    PHE  23           H        PHE  23 -11.084  -2.746  -5.244
  171    HA   PHE  23           HA       PHE  23 -11.846  -4.988  -6.838
  172    HB2  PHE  23          2HB       PHE  23  -9.907  -4.811  -8.428
  173    HB3  PHE  23          3HB       PHE  23 -11.180  -3.625  -8.695
  174    HD1  PHE  23           HD1      PHE  23 -10.846  -1.285  -7.799
  175    HD2  PHE  23           HD2      PHE  23  -7.704  -4.145  -8.041
  176    HE1  PHE  23           HE1      PHE  23  -9.189   0.528  -7.653
  177    HE2  PHE  23           HE2      PHE  23  -6.042  -2.337  -7.894
  178    HZ   PHE  23           HZ       PHE  23  -6.783   0.003  -7.699
  179    H    DBU  24           H        DBU  24  -9.020  -3.267  -5.528
  180    HB   DBU  24           HB       DBU  24  -6.456  -6.047  -4.061
  181    HG1  DBU  24          1HG       DBU  24  -6.281  -7.140  -6.169
  182    HG2  DBU  24          2HG       DBU  24  -7.252  -5.862  -6.913
  183    HG3  DBU  24          3HG       DBU  24  -8.046  -7.209  -6.076
  184    H    CYS  25           H        CYS  25  -7.006  -2.483  -4.007
  185    HA   CYS  25           HA       CYS  25  -6.725  -2.873  -1.168
  186    HB2  CYS  25          2HB       CYS  25  -5.066  -1.609  -2.536
  187    HB3  CYS  25          3HB       CYS  25  -6.282  -0.361  -2.794
  188    H    CYS  26           H        CYS  26  -9.235  -1.911  -3.154
  189    HA   CYS  26           HA       CYS  26 -10.489  -0.329  -1.009
  190    HB2  CYS  26          2HB       CYS  26 -10.424  -0.036  -3.909
  191    HB3  CYS  26          3HB       CYS  26 -12.065  -0.015  -3.271
  192    H    SER  27           H        SER  27 -11.137  -2.223   0.127
  193    HA   SER  27           HA       SER  27 -13.674  -3.260  -0.798
  194    HB2  SER  27          2HB       SER  27 -12.874  -5.659  -0.304
  195    HB3  SER  27          3HB       SER  27 -12.383  -4.937  -1.836
  196    HG   SER  27           HG       SER  27 -10.865  -5.646   0.359
  Start of MODEL   20
    1    H1   LYS   1           H        LYS   1  -1.064  -0.755   0.337
    2    HA   LYS   1           HA       LYS   1   0.583  -0.864  -1.525
    3    HB2  LYS   1          2HB       LYS   1  -1.751   0.439  -2.929
    4    HB3  LYS   1          3HB       LYS   1  -0.115   0.447  -3.573
    5    HG2  LYS   1          2HG       LYS   1  -0.225  -1.696  -4.236
    6    HG3  LYS   1          3HG       LYS   1  -1.144  -2.199  -2.815
    7    HD2  LYS   1          2HD       LYS   1  -3.184  -1.426  -3.757
    8    HD3  LYS   1          3HD       LYS   1  -2.340  -0.587  -5.061
    9    HE2  LYS   1          2HE       LYS   1  -1.454  -2.933  -5.681
   10    HE3  LYS   1          3HE       LYS   1  -2.771  -3.528  -4.671
   11    HZ1  LYS   1          1HZ       LYS   1  -3.401  -3.379  -7.009
   12    HZ2  LYS   1          2HZ       LYS   1  -3.089  -1.717  -7.003
   13    HZ3  LYS   1          3HZ       LYS   1  -4.340  -2.346  -6.054
   14    H    LYS   2           H        LYS   2   2.112   0.534  -0.983
   15    HA   LYS   2           HA       LYS   2   3.183   2.426  -0.313
   16    HB2  LYS   2          2HB       LYS   2   1.269   3.250  -2.267
   17    HB3  LYS   2          3HB       LYS   2   1.344   4.481  -1.013
   18    HG2  LYS   2          2HG       LYS   2   2.914   5.091  -2.667
   19    HG3  LYS   2          3HG       LYS   2   3.839   4.472  -1.296
   20    HD2  LYS   2          2HD       LYS   2   3.830   2.232  -2.502
   21    HD3  LYS   2          3HD       LYS   2   3.249   3.115  -3.916
   22    HE2  LYS   2          2HE       LYS   2   5.296   3.857  -4.378
   23    HE3  LYS   2          3HE       LYS   2   5.519   4.442  -2.730
   24    HZ1  LYS   2          1HZ       LYS   2   5.817   1.582  -3.419
   25    HZ2  LYS   2          2HZ       LYS   2   6.385   2.398  -2.051
   26    HZ3  LYS   2          3HZ       LYS   2   7.107   2.667  -3.557
   27    H    LYS   3           H        LYS   3   2.931   4.443   1.083
   28    HA   LYS   3           HA       LYS   3   1.168   3.757   3.309
   29    HB2  LYS   3          2HB       LYS   3   2.565   5.116   4.674
   30    HB3  LYS   3          3HB       LYS   3   3.635   4.182   3.637
   31    HG2  LYS   3          2HG       LYS   3   3.594   6.253   2.104
   32    HG3  LYS   3          3HG       LYS   3   2.976   7.097   3.526
   33    HD2  LYS   3          2HD       LYS   3   5.183   5.542   4.366
   34    HD3  LYS   3          3HD       LYS   3   5.667   6.382   2.891
   35    HE2  LYS   3          2HE       LYS   3   4.399   8.374   4.207
   36    HE3  LYS   3          3HE       LYS   3   5.034   7.445   5.565
   37    HZ1  LYS   3          1HZ       LYS   3   7.224   7.523   4.269
   38    HZ2  LYS   3          2HZ       LYS   3   6.725   8.927   5.070
   39    HZ3  LYS   3          3HZ       LYS   3   6.517   8.789   3.397
   40    H    SER   4           H        SER   4   1.596   6.153   0.845
   41    HA   SER   4           HA       SER   4  -0.294   7.980   2.117
   42    HB2  SER   4          2HB       SER   4   1.902   8.315   0.353
   43    HB3  SER   4          3HB       SER   4   0.456   8.823  -0.520
   44    HG   SER   4           HG       SER   4   1.691  10.346   1.013
   45    H    GLY   5           H        GLY   5  -1.675   9.086   0.122
   46    HA2  GLY   5          2HA       GLY   5  -3.161   8.665  -1.674
   47    HA3  GLY   5          3HA       GLY   5  -2.925   6.941  -1.433
   48    H    VAL   6           H        VAL   6  -4.422   9.820  -0.021
   49    HA   VAL   6           HA       VAL   6  -6.533   8.075   1.060
   50    HB   VAL   6           HB       VAL   6  -5.622  10.577   2.467
   51   HG11  VAL   6          1HG1      VAL   6  -7.304  10.170   3.861
   52   HG12  VAL   6          2HG1      VAL   6  -7.847   8.908   2.754
   53   HG13  VAL   6          3HG1      VAL   6  -6.775   8.504   4.096
   54   HG21  VAL   6          1HG2      VAL   6  -3.714   9.433   2.866
   55   HG22  VAL   6          2HG2      VAL   6  -4.711   8.624   4.076
   56   HG23  VAL   6          3HG2      VAL   6  -4.447   7.870   2.504
   57    H    ILE   7           H        ILE   7  -5.836  10.391  -1.112
   58    HA   ILE   7           HA       ILE   7  -8.041  12.186  -0.714
   59    HB   ILE   7           HB       ILE   7  -6.651  11.857  -3.347
   60   HG12  ILE   7          2HG1      ILE   7  -5.169  13.774  -2.062
   61   HG13  ILE   7          3HG1      ILE   7  -5.432  12.599  -0.777
   62   HG21  ILE   7          1HG2      ILE   7  -7.111  14.158  -3.621
   63   HG22  ILE   7          2HG2      ILE   7  -8.579  13.444  -2.955
   64   HG23  ILE   7          3HG2      ILE   7  -7.493  14.361  -1.911
   65   HD11  ILE   7          1HD1      ILE   7  -4.682  10.917  -2.676
   66   HD12  ILE   7          2HD1      ILE   7  -3.871  12.363  -3.278
   67   HD13  ILE   7          3HD1      ILE   7  -3.520  11.766  -1.657
   68    HA   PRO   8           HA       PRO   8  -9.850   9.651  -4.432
   69    HB2  PRO   8          2HB       PRO   8  -8.707   7.237  -4.919
   70    HB3  PRO   8          3HB       PRO   8  -8.163   8.731  -5.691
   71    HG2  PRO   8          2HG       PRO   8  -7.012   7.289  -3.334
   72    HG3  PRO   8          3HG       PRO   8  -6.174   8.035  -4.707
   73    HD2  PRO   8          2HD       PRO   8  -6.378   9.244  -2.293
   74    HD3  PRO   8          3HD       PRO   8  -6.337  10.155  -3.816
   75    H    DBB   9           H        DBB   9  -8.428   7.450  -2.007
   76    HA   DBB   9           HA       DBB   9 -11.144   6.735  -1.088
   77    HB2  DBB   9          3HB       DBB   9  -8.556   7.072   0.160
   78    HG1  DBB   9          1HG       DBB   9  -9.901   7.076   2.184
   79    HG2  DBB   9          2HG       DBB   9 -10.832   7.894   0.907
   80    HG3  DBB   9          3HG       DBB   9 -11.226   6.219   1.359
   81    H    VAL  10           H        VAL  10  -8.052   5.120  -1.856
   82    HA   VAL  10           HA       VAL  10  -9.617   2.830  -2.852
   83    HB   VAL  10           HB       VAL  10  -6.861   2.825  -3.727
   84   HG11  VAL  10          1HG1      VAL  10  -7.836   1.798  -5.440
   85   HG12  VAL  10          2HG1      VAL  10  -9.386   2.032  -4.630
   86   HG13  VAL  10          3HG1      VAL  10  -8.814   3.219  -5.802
   87   HG21  VAL  10          1HG2      VAL  10  -7.026   5.245  -3.535
   88   HG22  VAL  10          2HG2      VAL  10  -6.986   4.762  -5.230
   89   HG23  VAL  10          3HG2      VAL  10  -8.512   5.235  -4.484
   90    H    DAL  11           H        DAL  11  -8.775   0.710  -2.497
   91    HA   DAL  11           HA       DAL  11  -6.502  -0.036  -1.070
   92    HB1  DAL  11          2HB       DAL  11  -9.276  -1.309  -1.010
   93    HB2  DAL  11          3HB       DAL  11  -7.989  -1.655  -2.190
   94    H    HIS  12           H        HIS  12  -6.317  -0.770   1.156
   95    HA   HIS  12           HA       HIS  12  -8.199   0.316   3.080
   96    HB2  HIS  12          2HB       HIS  12  -6.996  -0.915   4.734
   97    HB3  HIS  12          3HB       HIS  12  -7.128  -1.958   3.320
   98    HD1  HIS  12           HD1      HIS  12  -4.903  -2.166   5.574
   99    HD2  HIS  12           HD2      HIS  12  -4.449  -0.429   1.827
  100    HE1  HIS  12           HE1      HIS  12  -2.436  -2.240   5.093
  101    H    ASP  13           H        ASP  13  -6.403   0.865   5.183
  102    HA   ASP  13           HA       ASP  13  -5.038   2.480   6.050
  103    HB2  ASP  13          2HB       ASP  13  -3.746   1.956   3.803
  104    HB3  ASP  13          3HB       ASP  13  -4.333   3.555   3.353
  105    H    CYS  14           H        CYS  14  -6.474   3.783   3.053
  106    HA   CYS  14           HA       CYS  14  -7.117   6.276   4.338
  107    HB2  CYS  14          2HB       CYS  14  -7.909   6.993   2.213
  108    HB3  CYS  14          3HB       CYS  14  -6.485   6.007   1.898
  109    H    HIS  15           H        HIS  15  -8.752   3.291   3.622
  110    HA   HIS  15           HA       HIS  15 -10.825   3.702   5.430
  111    HB2  HIS  15          2HB       HIS  15 -11.246   5.107   2.999
  112    HB3  HIS  15          3HB       HIS  15 -12.370   3.751   3.021
  113    HD1  HIS  15           HD1      HIS  15 -13.559   3.591   5.626
  114    HD2  HIS  15           HD2      HIS  15 -12.386   7.276   4.107
  115    HE1  HIS  15           HE1      HIS  15 -14.875   5.300   6.918
  116    H    MET  16           H        MET  16 -12.210   1.911   5.599
  117    HA   MET  16           HA       MET  16 -11.429  -0.368   3.905
  118    HB2  MET  16          2HB       MET  16 -12.355  -0.286   6.777
  119    HB3  MET  16          3HB       MET  16 -12.187  -1.773   5.854
  120    HG2  MET  16          2HG       MET  16 -10.118  -1.843   6.659
  121    HG3  MET  16          3HG       MET  16  -9.756  -0.581   5.484
  122    HE1  MET  16          1HE       MET  16 -11.122  -1.356   8.923
  123    HE2  MET  16          2HE       MET  16  -9.402  -1.372   9.313
  124    HE3  MET  16          3HE       MET  16 -10.446  -0.116   9.979
  125    H    ASN  17           H        ASN  17 -13.066   0.344   2.367
  126    HA   ASN  17           HA       ASN  17 -15.429  -1.124   2.529
  127    HB2  ASN  17          2HB       ASN  17 -15.637   1.176   4.068
  128    HB3  ASN  17          3HB       ASN  17 -16.419   1.620   2.554
  129   HD21  ASN  17          1HD2      ASN  17 -18.477   1.121   2.359
  130   HD22  ASN  17          2HD2      ASN  17 -19.325  -0.072   3.277
  131    H    DAL  18           H        DAL  18 -13.746   1.647   1.206
  132    HA   DAL  18           HA       DAL  18 -14.324   0.792  -1.515
  133    HB1  DAL  18          2HB       DAL  18 -12.115   1.796  -0.669
  134    HB2  DAL  18          3HB       DAL  18 -12.765   2.493  -2.172
  135    H    PHE  19           H        PHE  19 -15.220   2.255  -3.113
  136    HA   PHE  19           HA       PHE  19 -17.616   3.515  -2.142
  137    HB2  PHE  19          2HB       PHE  19 -16.136   5.386  -1.821
  138    HB3  PHE  19          3HB       PHE  19 -15.438   5.173  -3.423
  139    HD1  PHE  19           HD1      PHE  19 -19.032   4.829  -2.896
  140    HD2  PHE  19           HD2      PHE  19 -15.895   7.470  -4.036
  141    HE1  PHE  19           HE1      PHE  19 -20.690   6.393  -3.822
  142    HE2  PHE  19           HE2      PHE  19 -17.548   9.039  -4.963
  143    HZ   PHE  19           HZ       PHE  19 -19.949   8.502  -4.856
  144    H    GLN  20           H        GLN  20 -15.812   4.271  -5.086
  145    HA   GLN  20           HA       GLN  20 -18.056   3.405  -6.693
  146    HB2  GLN  20          2HB       GLN  20 -16.774   4.313  -8.581
  147    HB3  GLN  20          3HB       GLN  20 -16.913   5.478  -7.272
  148    HG2  GLN  20          2HG       GLN  20 -14.586   4.384  -6.589
  149    HG3  GLN  20          3HG       GLN  20 -14.533   4.077  -8.324
  150   HE21  GLN  20          1HE2      GLN  20 -14.546   5.839  -9.757
  151   HE22  GLN  20          2HE2      GLN  20 -14.088   7.422  -9.241
  152    H    PHE  21           H        PHE  21 -14.677   2.475  -6.203
  153    HA   PHE  21           HA       PHE  21 -15.088   0.126  -7.908
  154    HB2  PHE  21          2HB       PHE  21 -12.500  -0.067  -7.350
  155    HB3  PHE  21          3HB       PHE  21 -13.090   1.015  -8.607
  156    HD1  PHE  21           HD1      PHE  21 -11.948   2.994  -8.661
  157    HD2  PHE  21           HD2      PHE  21 -12.789   1.210  -4.889
  158    HE1  PHE  21           HE1      PHE  21 -10.878   4.897  -7.526
  159    HE2  PHE  21           HE2      PHE  21 -11.721   3.110  -3.748
  160    HZ   PHE  21           HZ       PHE  21 -10.764   4.957  -5.067
  161    H    VAL  22           H        VAL  22 -16.538  -0.369  -5.855
  162    HA   VAL  22           HA       VAL  22 -14.992  -1.609  -3.716
  163    HB   VAL  22           HB       VAL  22 -17.091  -1.947  -2.577
  164   HG11  VAL  22          1HG1      VAL  22 -17.929   0.643  -3.177
  165   HG12  VAL  22          2HG1      VAL  22 -16.792   0.157  -1.918
  166   HG13  VAL  22          3HG1      VAL  22 -16.197   0.633  -3.509
  167   HG21  VAL  22          1HG2      VAL  22 -18.193  -1.535  -5.269
  168   HG22  VAL  22          2HG2      VAL  22 -18.806  -2.500  -3.926
  169   HG23  VAL  22          3HG2      VAL  22 -19.097  -0.761  -3.967
  170    H    PHE  23           H        PHE  23 -14.668  -3.740  -3.504
  171    HA   PHE  23           HA       PHE  23 -16.345  -5.775  -4.430
  172    HB2  PHE  23          2HB       PHE  23 -15.153  -4.666  -6.583
  173    HB3  PHE  23          3HB       PHE  23 -13.936  -5.863  -6.152
  174    HD1  PHE  23           HD1      PHE  23 -17.608  -5.558  -6.699
  175    HD2  PHE  23           HD2      PHE  23 -14.135  -8.004  -6.974
  176    HE1  PHE  23           HE1      PHE  23 -18.928  -7.299  -7.832
  177    HE2  PHE  23           HE2      PHE  23 -15.449  -9.748  -8.108
  178    HZ   PHE  23           HZ       PHE  23 -17.848  -9.397  -8.539
  179    H    DBU  24           H        DBU  24 -12.804  -5.447  -4.638
  180    HB   DBU  24           HB       DBU  24 -10.886  -8.430  -2.893
  181    HG1  DBU  24          1HG       DBU  24 -13.056  -8.716  -5.018
  182    HG2  DBU  24          2HG       DBU  24 -11.857  -9.890  -4.459
  183    HG3  DBU  24          3HG       DBU  24 -11.378  -8.588  -5.562
  184    H    CYS  25           H        CYS  25 -10.229  -5.148  -3.094
  185    HA   CYS  25           HA       CYS  25  -9.876  -5.295  -0.247
  186    HB2  CYS  25          2HB       CYS  25  -7.903  -4.979  -1.549
  187    HB3  CYS  25          3HB       CYS  25  -8.603  -3.606  -2.400
  188    H    CYS  26           H        CYS  26 -11.594  -3.257  -2.457
  189    HA   CYS  26           HA       CYS  26 -11.995  -1.169  -0.467
  190    HB2  CYS  26          2HB       CYS  26 -12.218  -1.378  -3.358
  191    HB3  CYS  26          3HB       CYS  26 -13.639  -0.618  -2.649
  192    H    SER  27           H        SER  27 -13.042  -2.974   0.871
  193    HA   SER  27           HA       SER  27 -15.887  -2.588   0.754
  194    HB2  SER  27          2HB       SER  27 -14.658  -5.222   0.020
  195    HB3  SER  27          3HB       SER  27 -16.202  -5.191   0.870
  196    HG   SER  27           HG       SER  27 -15.915  -3.516  -1.339