*HEADER    TOXIN                                   31-MAY-07   2JQC              
*TITLE     A L-AMINO ACID MUTANT OF A D-AMINO ACID CONTAINING                    
*TITLE    2 CONOPEPTIDE                                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: L-MR12;                                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE IS NATURALLY FOUND IN CONUS               
*SOURCE   4 MARMOREUS.                                                           
*KEYWDS    M CONO-TOXIN, MR12, NMR SOLUTION STRUCTURE                            
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    F.HUANG, W.DU, Y.HAN, C.WANG, C.CHI                                   
*REVDAT   1   15-APR-08 2JQC    0                                                


  6 ALA  H       6 ALA  HA      3.21            #peak     2
  5 HIS  H       5 HIS  HA      3.33            #peak     3
  5 HIS  H       5 HIS  HB2     3.61            #peak     4
  5 HIS  H       5 HIS  HB3     2.40            #peak     5
  4 TYR  HA      5 HIS  H       2.43            #peak     6
  7 HIS  H       7 HIS  HB2     2.58            #peak     8
  7 HIS  H       7 HIS  HB3     2.52            #peak     9
  6 ALA  HA      7 HIS  H       2.40            #peak    10
  7 HIS  H       7 HIS  HA      3.11            #peak    11
  9 LYS  H       9 LYS  HA      3.21            #peak    12
  8 PRO  HA      9 LYS  H       2.40            #peak    13
  9 LYS  H       9 LYS  HB2     2.90            #peak    18
  9 LYS  H       9 LYS  HB3     2.49            #peak    19
  6 ALA  H       7 HIS  H       3.83            #peak    20
  8 PRO  HA      8 PRO  HB2     2.59            #peak    28
  8 PRO  HA      8 PRO  HB3     2.86            #peak    29
  8 PRO  HB2     9 LYS  H       3.33            #peak    40
 11 ASN  H      11 ASN  QB      4.30            #peak    43
 11 ASN  QB     12 SER  H       4.65            #peak    46
 12 SER  H      12 SER  QB      4.31            #peak    47
 13 PHE  H      13 PHE  HA      2.74            #peak    57
 11 ASN  H      12 SER  H       3.27            #peak    58
  9 LYS  HA      9 LYS  HB2     3.30            #peak    69
  9 LYS  HA      9 LYS  HB3     3.11            #peak    70
  5 HIS  HB3     6 ALA  H       3.89            #peak    72
  5 HIS  HB2     6 ALA  H       3.73            #peak    73
  4 TYR  H       4 TYR  HA      3.21            #peak    74
  4 TYR  HA      4 TYR  HB3     3.14            #peak    75
  3 GLU  H       3 GLU  HA      3.92            #peak    89
  3 GLU  H       3 GLU  HB3     2.55            #peak    92
  3 GLU  HB3     4 TYR  H       3.40            #peak    93
  3 GLU  HB2     4 TYR  H       2.40            #peak    94
  3 GLU  HA      4 TYR  H       2.59            #peak   105
 15 THR  H      15 THR  HB      3.83            #peak   109
  2 TRP  H       2 TRP  QB      4.34            #peak   110
 14 TRP  HA     15 THR  H       3.24            #peak   112
 14 TRP  H      14 TRP  HA      3.52            #peak   113
  2 TRP  QB      3 GLU  H       5.17            #peak   114
  2 TRP  H       2 TRP  HA      4.07            #peak   115
  2 TRP  HA      3 GLU  H       2.77            #peak   116
 12 SER  HA     14 TRP  H       3.30            #peak   117
 14 TRP  H      14 TRP  HB2     3.55            #peak   118
 14 TRP  H      14 TRP  HB3     3.92            #peak   119
  4 TYR  HA      4 TYR  HB2     2.59            #peak   120
  4 TYR  H       4 TYR  HB3     3.21            #peak   123
  4 TYR  H       4 TYR  HB2     3.17            #peak   124
 12 SER  H      12 SER  HA      2.80            #peak   127
 13 PHE  H      13 PHE  HB2     2.40            #peak   128
 13 PHE  H      13 PHE  HB3     2.40            #peak   129
 10 HYP  QB     12 SER  H       5.52            #peak   130
 13 PHE  HB3    14 TRP  H       4.26            #peak   131
 13 PHE  HB2    14 TRP  H       5.07            #peak   132
  9 LYS  HB3    11 ASN  H       4.66            #peak   141
  2 TRP  H       3 GLU  H       4.01            #peak   143
  1 ASP  HA      2 TRP  H       3.11            #peak   150
  7 HIS  HA      7 HIS  HB3     3.05            #peak   153
  7 HIS  HA      7 HIS  HB2     3.05            #peak   154
  5 HIS  HA      5 HIS  HB2     3.14            #peak   155
 15 THR  H      15 THR  HA      4.29            #peak   168
  3 GLU  HA      3 GLU  HB3     3.42            #peak   173
  3 GLU  HA      3 GLU  HB2     2.52            #peak   174
 10 HYP  QB     11 ASN  H       5.02            #peak   191
  8 PRO  HB3     9 LYS  H       3.55            #peak   192
  3 GLU  H       3 GLU  HB2     3.42            #peak   193
  5 HIS  HA      6 ALA  H       2.49            #peak   197
 11 ASN  H      11 ASN  HA      2.70            #peak   198
 10 HYP  QB     10 HYP  HA      4.93            #peak   200
  9 LYS  H       9 LYS  QG      6.20            #peak    14
  9 LYS  QG      9 LYS  QD      4.76            #peak    15
  9 LYS  HB2     9 LYS  QG      3.28            #peak    16
  9 LYS  HB3     9 LYS  QG      4.28            #peak    17
  7 HIS  HB2     7 HIS  HD2     4.88            #peak    21
  7 HIS  HB3     7 HIS  HD2     3.58            #peak    22
  7 HIS  HB3     7 HIS  HE1     5.50            #peak    24
  8 PRO  HD2     8 PRO  QG      4.28            #peak    25
  8 PRO  HD3     8 PRO  QG      4.19            #peak    26
  8 PRO  HA      8 PRO  QG      3.85            #peak    27
  8 PRO  HD2     8 PRO  HB2     4.00            #peak    30
  8 PRO  HD3     8 PRO  HB2     4.00            #peak    31
  8 PRO  HB3     8 PRO  QG      4.43            #peak    32
  8 PRO  HB3     8 PRO  HB2     2.40            #peak    33
  7 HIS  HA      8 PRO  QG      6.39            #peak    34
  8 PRO  QG      9 LYS  H       6.39            #peak    35
  7 HIS  H       8 PRO  HD3     4.85            #peak    37
  7 HIS  H       8 PRO  HD2     5.16            #peak    38
  7 HIS  HD2     7 HIS  HE1     5.50            #peak    42
 10 HYP  HD2    10 HYP  QB      4.87            #peak    48
 10 HYP  HD3    10 HYP  QB      5.95            #peak    49
 10 HYP  HG     10 HYP  QB      3.50            #peak    50
 10 HYP  HD2    10 HYP  HG      5.28            #peak    52
 10 HYP  HD3    10 HYP  HG      5.50            #peak    53
  2 TRP  QB      2 TRP  HD1     5.67            #peak    60
  2 TRP  HA      2 TRP  HD1     5.10            #peak    62
  2 TRP  HA      2 TRP  HE3     5.50            #peak    63
  9 LYS  HA      9 LYS  QG      6.07            #peak    68
  4 TYR  HA      4 TYR  QD      6.57            #peak    78
  4 TYR  QD      4 TYR  QE      7.37            #peak    80
  4 TYR  HA      4 TYR  QE      7.63            #peak    81
  4 TYR  QE      6 ALA  HA      7.63            #peak    82
  4 TYR  QD      6 ALA  HA      7.63            #peak    83
  4 TYR  H       4 TYR  QD      7.63            #peak    87
  4 TYR  QD      5 HIS  H       7.63            #peak    88
 10 HYP  HD3    10 HYP  HD2     2.77            #peak    96
  8 PRO  HD3     8 PRO  HD2     2.59            #peak   101
 10 HYP  HD2    11 ASN  H       5.50            #peak   102
  9 LYS  H      10 HYP  HD3     5.50            #peak   103
  2 TRP  H       2 TRP  HD1     5.50            #peak   104
  5 HIS  HB3     5 HIS  HD2     4.97            #peak   106
 14 TRP  HB3    14 TRP  HD1     5.50            #peak   107
  4 TYR  QD      4 TYR  HB3     6.20            #peak   121
  4 TYR  QD      4 TYR  HB2     6.51            #peak   122
  5 HIS  HB2     5 HIS  HD2     5.50            #peak   125
  5 HIS  HA      5 HIS  HD2     5.50            #peak   126
  2 TRP  QB      2 TRP  HE3     6.07            #peak   133
  2 TRP  HE1     2 TRP  HZ2     4.97            #peak   135
  2 TRP  HH2     2 TRP  HZ2     2.46            #peak   136
  2 TRP  HD1     2 TRP  HE1     3.48            #peak   138
  2 TRP  QB      2 TRP  HE1     6.38            #peak   140
  9 LYS  QG     11 ASN  H       6.38            #peak   142
 13 PHE  QE     13 PHE  QD      6.69            #peak   146
 13 PHE  QD     13 PHE  HZ      4.99            #peak   147
  5 HIS  HD2     5 HIS  HE1     5.50            #peak   149
  4 TYR  QD      6 ALA  H       7.63            #peak   169
  3 GLU  HA      3 GLU  QG      6.38            #peak   172
  9 LYS  HB2    10 HYP  HD2     4.51            #peak   175
  9 LYS  HB3    10 HYP  HD2     4.26            #peak   176
  9 LYS  HB3    10 HYP  HD3     4.85            #peak   177
  8 PRO  HD3     8 PRO  HB3     4.14            #peak   178
  8 PRO  HD2     8 PRO  HB3     3.86            #peak   179
  5 HIS  H       5 HIS  HD2     5.50            #peak   182
  3 GLU  HB3     3 GLU  QG      4.15            #peak   184
 10 HYP  HG     11 ASN  H       4.32            #peak   190
  3 GLU  H       3 GLU  QG      6.38            #peak   195
  9 LYS  QD      9 LYS  QE      6.40            #peak   196
 10 HYP  HG     10 HYP  HA      4.54            #peak   199
  3 GLU  HB2     3 GLU  QG      4.68            #peak   203
  6 ALA  QB      7 HIS  H       4.88            #peak     7
  6 ALA  QB      7 HIS  HD2     6.52            #peak    23
  4 TYR  QD      6 ALA  QB      6.72            #peak    85
 15 THR  HA     15 THR  QG2     5.03            #peak   108
  4 TYR  QE      6 ALA  QB      8.65            #peak   171
  6 ALA  HA      6 ALA  QB      4.07            #peak   180
  5 HIS  HA      6 ALA  QB      5.62            #peak   181
  6 ALA  H       6 ALA  QB      3.98            #peak   185
 15 THR  QG2    15 THR  HB      6.15            #peak   202
  6 ALA  QB      8 PRO  HD3     6.43            #peak   204
  6 ALA  QB      8 PRO  HD2     6.52            #peak   205
 12 SER  QB     13 PHE  HA      4.31            #peak     1
  9 LYS  HA     10 HYP  QB      4.65            #peak     3
  9 LYS  HA     11 ASN  QB      4.80            #peak     5
  5 HIS  HA      5 HIS  HB3     3.24            #peak     6
  2 TRP  HA      2 TRP  QB      4.46            #peak     7
 14 TRP  HA     14 TRP  HB3     3.67            #peak     8
 11 ASN  HA     11 ASN  QB      3.84            #peak    11
  7 HIS  HA      8 PRO  HD3     2.71            #peak     9
  7 HIS  HA      8 PRO  HD2     2.68            #peak    10
  9 LYS  HA     10 HYP  HD2     2.55            #peak    13
  9 LYS  HA     10 HYP  HD3     2.40            #peak    14
  7 HIS  HB3     8 PRO  HD2     4.54            #peak    15
  7 HIS  HB2     8 PRO  HD2     3.50            #peak    16
#hbond upl
  11 ASN  O       14 TRP   H      2.20
  11 ASN  O       14 TRP   N      3.20
  12 SER  O       15 THR   H      2.20
  12 SER  O       15 THR   H      3.20
#aco
  2  TRP    PHI     -100   -30
  4  TYR    PHI     -100   -30
  6  ALA    PHI     -90    -40
  9  LYS    PHI     -100   -30
 11  ASN    PHI     -100   -30
 15  THR    PHI     -165   -75

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   ASP   1           HA       ASP   1  -1.598   1.426  -2.462
    2    H1   ASP   1           H1       ASP   1  -2.723   0.181  -0.776
    3    H2   ASP   1           H2       ASP   1  -2.442   1.703  -0.223
    4    H3   ASP   1           H3       ASP   1  -1.523   0.442   0.301
    5    HB2  ASP   1           HB2      ASP   1  -0.457   3.043  -1.035
    6    HB3  ASP   1           HB3      ASP   1   0.541   1.764  -0.326
    7    H    TRP   2           H        TRP   2  -0.528   0.147  -3.972
    8    HA   TRP   2           HA       TRP   2   0.995  -2.206  -3.107
    9    HD1  TRP   2           HD1      TRP   2  -0.516  -4.697  -2.003
   10    HE1  TRP   2           HE1      TRP   2  -2.477  -4.824  -0.376
   11    HE3  TRP   2           HE3      TRP   2  -3.548  -1.162  -4.138
   12    HZ2  TRP   2           HZ2      TRP   2  -5.065  -3.536  -0.031
   13    HZ3  TRP   2           HZ3      TRP   2  -5.751  -0.632  -3.135
   14    HH2  TRP   2           HH2      TRP   2  -6.516  -1.817  -1.083
   15    HB2  TRP   2           HB2      TRP   2  -1.421  -2.419  -4.952
   16    HB3  TRP   2           HB3      TRP   2  -0.316  -3.710  -4.524
   17    H    GLU   3           H        GLU   3   2.761  -2.238  -4.400
   18    HA   GLU   3           HA       GLU   3   2.988  -0.776  -6.871
   19    HB2  GLU   3           HB2      GLU   3   5.200  -1.792  -6.933
   20    HB3  GLU   3           HB3      GLU   3   4.858  -1.048  -5.396
   21    HG2  GLU   3           HG2      GLU   3   4.383  -3.332  -4.431
   22    HG3  GLU   3           HG3      GLU   3   4.802  -4.041  -5.990
   23    H    TYR   4           H        TYR   4   4.061  -2.144  -8.695
   24    HA   TYR   4           HA       TYR   4   1.987  -3.914  -9.730
   25    HD1  TYR   4           HD2      TYR   4   1.240  -3.868 -12.160
   26    HD2  TYR   4           HD1      TYR   4   5.405  -4.985 -12.288
   27    HE1  TYR   4           HE2      TYR   4   0.743  -5.484 -13.968
   28    HE2  TYR   4           HE1      TYR   4   4.921  -6.603 -14.098
   29    HH   TYR   4           HH       TYR   4   1.610  -7.074 -15.434
   30    HB2  TYR   4           HB2      TYR   4   3.208  -2.380 -11.217
   31    HB3  TYR   4           HB3      TYR   4   4.720  -3.211 -10.861
   32    H    HIS   5           H        HIS   5   1.961  -6.100  -9.733
   33    HA   HIS   5           HA       HIS   5   3.544  -7.524  -7.880
   34    HD1  HIS   5           HD1      HIS   5   0.823  -7.322 -11.410
   35    HD2  HIS   5           HD2      HIS   5   2.269 -11.145 -10.330
   36    HE1  HIS   5           HE1      HIS   5   0.405  -8.849 -13.411
   37    HE2  HIS   5           HE2      HIS   5   1.245 -11.181 -12.741
   38    HB2  HIS   5           HB2      HIS   5   2.296  -9.415  -8.434
   39    HB3  HIS   5           HB3      HIS   5   1.188  -8.074  -8.592
   40    H    ALA   6           H        ALA   6   4.835  -9.480  -8.321
   41    HA   ALA   6           HA       ALA   6   6.890  -9.009 -10.357
   42    HB1  ALA   6           HB3      ALA   6   7.567  -9.726  -8.114
   43    HB2  ALA   6           HB1      ALA   6   6.595 -11.212  -8.265
   44    HB3  ALA   6           HB2      ALA   6   7.997 -10.951  -9.323
   45    H    HIS   7           H        HIS   7   5.433  -9.179 -12.154
   46    HA   HIS   7           HA       HIS   7   4.026 -11.416 -12.980
   47    HD1  HIS   7           HD1      HIS   7   2.400 -10.769 -16.020
   48    HD2  HIS   7           HD2      HIS   7   6.603 -10.723 -16.462
   49    HE1  HIS   7           HE1      HIS   7   2.900 -11.726 -18.344
   50    HE2  HIS   7           HE2      HIS   7   5.455 -11.693 -18.614
   51    HB2  HIS   7           HB2      HIS   7   3.773  -9.442 -14.151
   52    HB3  HIS   7           HB3      HIS   7   5.505  -9.241 -14.457
   53    HA   PRO   8           HA       PRO   8   7.239 -14.480 -13.337
   54    HB2  PRO   8           HB2      PRO   8   5.937 -16.433 -14.654
   55    HB3  PRO   8           HB3      PRO   8   5.535 -15.966 -12.975
   56    HG2  PRO   8           HG2      PRO   8   4.174 -15.097 -15.555
   57    HG3  PRO   8           HG3      PRO   8   3.403 -15.720 -14.056
   58    HD2  PRO   8           HD2      PRO   8   3.631 -13.045 -14.563
   59    HD3  PRO   8           HD3      PRO   8   3.803 -13.700 -12.901
   60    H    LYS   9           H        LYS   9   8.563 -15.681 -14.874
   61    HA   LYS   9           HA       LYS   9   9.009 -14.240 -17.369
   62    HB2  LYS   9           HB2      LYS   9  10.842 -15.157 -15.851
   63    HB3  LYS   9           HB3      LYS   9  10.317 -16.770 -16.301
   64    HG2  LYS   9           HG2      LYS   9  11.952 -16.581 -17.846
   65    HG3  LYS   9           HG3      LYS   9  10.718 -15.775 -18.802
   66    HD2  LYS   9           HD2      LYS   9  12.872 -14.462 -17.087
   67    HD3  LYS   9           HD3      LYS   9  12.851 -14.569 -18.849
   68    HE2  LYS   9           HE2      LYS   9  10.797 -13.152 -18.908
   69    HE3  LYS   9           HE3      LYS   9  10.848 -13.023 -17.139
   70    HZ1  LYS   9           HZ3      LYS   9  12.987 -11.919 -17.347
   71    HZ2  LYS   9           HZ1      LYS   9  11.849 -11.111 -18.194
   72    HZ3  LYS   9           HZ2      LYS   9  12.941 -12.036 -18.981
   73    HA   HYP  10           HA       HYP  10   6.100 -17.106 -19.279
   74    HG   HYP  10           HG       HYP  10   8.042 -14.851 -21.736
   75    HB2  HYP  10           HB2      HYP  10   6.048 -16.166 -21.836
   76    HB3  HYP  10           HB3      HYP  10   5.317 -15.282 -20.459
   77   HD22  HYP  10          HD3       HYP  10   7.374 -13.723 -19.025
   78   HD23  HYP  10          HD2       HYP  10   8.953 -14.225 -19.704
   79    HD1  HYP  10           HOD      HYP  10   6.407 -13.405 -22.309
   80    H    ASN  11           H        ASN  11   9.453 -16.790 -20.204
   81    HA   ASN  11           HA       ASN  11   9.696 -18.610 -22.281
   82    HB2  ASN  11           HB2      ASN  11  11.507 -17.138 -21.527
   83    HB3  ASN  11           HB3      ASN  11  11.613 -18.010 -19.992
   84   HD21  ASN  11          1HD2      ASN  11  11.936 -18.498 -23.574
   85   HD22  ASN  11          2HD2      ASN  11  13.123 -19.774 -23.444
   86    H    SER  12           H        SER  12   9.283 -19.271 -18.800
   87    HA   SER  12           HA       SER  12  10.153 -21.931 -18.796
   88    HG   SER  12           HG       SER  12   9.821 -19.931 -15.764
   89    HB2  SER  12           HB2      SER  12   8.019 -20.710 -17.004
   90    HB3  SER  12           HB3      SER  12   9.183 -21.983 -16.594
   91    H    PHE  13           H        PHE  13   7.348 -20.743 -20.358
   92    HA   PHE  13           HA       PHE  13   5.573 -22.921 -20.227
   93    HD1  PHE  13           HD1      PHE  13   3.009 -22.186 -21.275
   94    HD2  PHE  13           HD2      PHE  13   5.893 -22.354 -24.476
   95    HE1  PHE  13           HE1      PHE  13   1.320 -23.254 -22.748
   96    HE2  PHE  13           HE2      PHE  13   4.206 -23.420 -25.945
   97    HZ   PHE  13           HZ       PHE  13   1.913 -23.873 -25.085
   98    HB2  PHE  13           HB2      PHE  13   5.120 -20.750 -21.305
   99    HB3  PHE  13           HB3      PHE  13   6.360 -21.065 -22.511
  100    H    TRP  14           H        TRP  14   8.749 -22.580 -21.768
  101    HA   TRP  14           HA       TRP  14   8.354 -24.981 -23.431
  102    HD1  TRP  14           HD1      TRP  14   9.727 -20.728 -24.003
  103    HE1  TRP  14           HE1      TRP  14   8.227 -19.832 -25.864
  104    HE3  TRP  14           HE3      TRP  14   8.231 -25.187 -26.029
  105    HZ2  TRP  14           HZ2      TRP  14   6.558 -20.920 -27.979
  106    HZ3  TRP  14           HZ3      TRP  14   6.677 -25.227 -27.958
  107    HH2  TRP  14           HH2      TRP  14   5.835 -23.104 -28.941
  108    HB2  TRP  14           HB2      TRP  14  10.659 -23.004 -23.267
  109    HB3  TRP  14           HB3      TRP  14  10.492 -24.296 -24.447
  110    H    THR  15           H        THR  15   9.239 -24.570 -20.271
  111    HA   THR  15           HA       THR  15  11.558 -26.327 -20.165
  112    HB   THR  15           HB       THR  15   9.641 -25.500 -17.947
  113    HG1  THR  15           HG1      THR  15  11.251 -23.906 -17.543
  114   HG21  THR  15          3HG2      THR  15  11.077 -27.416 -17.331
  115   HG22  THR  15          1HG2      THR  15  11.584 -25.961 -16.465
  116   HG23  THR  15          2HG2      THR  15  12.521 -26.530 -17.867
  Start of MODEL    2
    1    HA   ASP   1           HA       ASP   1   1.496   0.230  -0.545
    2    H1   ASP   1           H1       ASP   1   2.723  -1.593   0.290
    3    H2   ASP   1           H2       ASP   1   3.653  -0.237   0.445
    4    H3   ASP   1           H3       ASP   1   3.963  -1.336  -0.744
    5    HB2  ASP   1           HB2      ASP   1   3.958   0.722  -2.263
    6    HB3  ASP   1           HB3      ASP   1   2.377   1.449  -2.568
    7    H    TRP   2           H        TRP   2   0.061  -0.055  -2.331
    8    HA   TRP   2           HA       TRP   2   0.145  -2.754  -3.429
    9    HD1  TRP   2           HD1      TRP   2  -2.944   0.006  -1.425
   10    HE1  TRP   2           HE1      TRP   2  -3.487  -1.192   0.761
   11    HE3  TRP   2           HE3      TRP   2  -1.121  -4.644  -2.587
   12    HZ2  TRP   2           HZ2      TRP   2  -3.147  -3.850   1.892
   13    HZ3  TRP   2           HZ3      TRP   2  -1.237  -6.481  -0.930
   14    HH2  TRP   2           HH2      TRP   2  -2.248  -6.091   1.312
   15    HB2  TRP   2           HB2      TRP   2  -1.951  -0.570  -3.690
   16    HB3  TRP   2           HB3      TRP   2  -2.142  -2.263  -4.126
   17    H    GLU   3           H        GLU   3   2.250  -1.855  -4.582
   18    HA   GLU   3           HA       GLU   3   1.872  -0.511  -7.100
   19    HB2  GLU   3           HB2      GLU   3   4.200  -1.117  -7.448
   20    HB3  GLU   3           HB3      GLU   3   3.943  -0.388  -5.888
   21    HG2  GLU   3           HG2      GLU   3   4.039  -2.664  -4.826
   22    HG3  GLU   3           HG3      GLU   3   4.320  -3.369  -6.417
   23    H    TYR   4           H        TYR   4   2.980  -1.787  -9.005
   24    HA   TYR   4           HA       TYR   4   1.043  -3.740  -9.864
   25    HD1  TYR   4           HD1      TYR   4   0.237  -3.522 -12.401
   26    HD2  TYR   4           HD2      TYR   4   4.337  -4.862 -12.437
   27    HE1  TYR   4           HE1      TYR   4  -0.302  -5.096 -14.234
   28    HE2  TYR   4           HE2      TYR   4   3.811  -6.440 -14.268
   29    HH   TYR   4           HH       TYR   4   0.515  -6.719 -15.694
   30    HB2  TYR   4           HB2      TYR   4   2.191  -2.161 -11.389
   31    HB3  TYR   4           HB3      TYR   4   3.720  -2.981 -11.094
   32    H    HIS   5           H        HIS   5   1.122  -5.944  -9.916
   33    HA   HIS   5           HA       HIS   5   2.752  -7.284  -8.038
   34    HD1  HIS   5           HD1      HIS   5   0.762 -10.981 -10.353
   35    HD2  HIS   5           HD2      HIS   5   1.009  -7.032 -11.830
   36    HE1  HIS   5           HE1      HIS   5   0.218 -11.096 -12.855
   37    HE2  HIS   5           HE2      HIS   5   0.362  -8.683 -13.740
   38    HB2  HIS   5           HB2      HIS   5   1.590  -9.247  -8.608
   39    HB3  HIS   5           HB3      HIS   5   0.426  -7.952  -8.788
   40    H    ALA   6           H        ALA   6   4.080  -9.265  -8.508
   41    HA   ALA   6           HA       ALA   6   6.144  -8.718 -10.516
   42    HB1  ALA   6           HB3      ALA   6   5.834 -10.987  -8.494
   43    HB2  ALA   6           HB1      ALA   6   7.235 -10.711  -9.547
   44    HB3  ALA   6           HB2      ALA   6   6.825  -9.520  -8.297
   45    H    HIS   7           H        HIS   7   4.796  -8.833 -12.354
   46    HA   HIS   7           HA       HIS   7   3.292 -11.000 -13.232
   47    HD1  HIS   7           HD1      HIS   7   1.693 -10.140 -16.247
   48    HD2  HIS   7           HD2      HIS   7   5.873 -10.573 -16.677
   49    HE1  HIS   7           HE1      HIS   7   2.083 -11.207 -18.545
   50    HE2  HIS   7           HE2      HIS   7   4.628 -11.470 -18.801
   51    HB2  HIS   7           HB2      HIS   7   3.183  -8.964 -14.391
   52    HB3  HIS   7           HB3      HIS   7   4.923  -8.909 -14.703
   53    HA   PRO   8           HA       PRO   8   6.311 -14.207 -13.479
   54    HB2  PRO   8           HB2      PRO   8   5.047 -16.031 -15.017
   55    HB3  PRO   8           HB3      PRO   8   4.541 -15.629 -13.350
   56    HG2  PRO   8           HG2      PRO   8   3.417 -14.575 -15.971
   57    HG3  PRO   8           HG3      PRO   8   2.510 -15.214 -14.558
   58    HD2  PRO   8           HD2      PRO   8   2.900 -12.541 -14.928
   59    HD3  PRO   8           HD3      PRO   8   2.947 -13.260 -13.286
   60    H    LYS   9           H        LYS   9   7.784 -15.361 -14.849
   61    HA   LYS   9           HA       LYS   9   8.596 -13.876 -17.212
   62    HB2  LYS   9           HB2      LYS   9  10.151 -14.905 -15.465
   63    HB3  LYS   9           HB3      LYS   9   9.672 -16.487 -16.065
   64    HG2  LYS   9           HG2      LYS   9  11.739 -16.022 -17.093
   65    HG3  LYS   9           HG3      LYS   9  10.552 -15.742 -18.366
   66    HD2  LYS   9           HD2      LYS   9  10.695 -13.268 -17.899
   67    HD3  LYS   9           HD3      LYS   9  11.894 -13.607 -16.638
   68    HE2  LYS   9           HE2      LYS   9  13.379 -14.656 -18.340
   69    HE3  LYS   9           HE3      LYS   9  12.189 -14.301 -19.600
   70    HZ1  LYS   9           HZ3      LYS   9  13.614 -12.275 -17.979
   71    HZ2  LYS   9           HZ1      LYS   9  12.512 -11.942 -19.146
   72    HZ3  LYS   9           HZ2      LYS   9  13.932 -12.647 -19.536
   73    HA   HYP  10           HA       HYP  10   6.005 -16.532 -19.738
   74    HG   HYP  10           HG       HYP  10   8.767 -14.747 -21.667
   75    HB2  HYP  10           HB2      HYP  10   5.774 -14.685 -21.121
   76    HB3  HYP  10           HB3      HYP  10   6.673 -15.742 -22.258
   77   HD22  HYP  10          HD3       HYP  10   7.554 -13.313 -19.296
   78   HD23  HYP  10          HD2       HYP  10   9.195 -13.996 -19.514
   79    HD1  HYP  10           HOD      HYP  10   6.856 -12.642 -21.406
   80    H    ASN  11           H        ASN  11   9.479 -16.706 -19.778
   81    HA   ASN  11           HA       ASN  11  10.035 -18.503 -21.797
   82    HB2  ASN  11           HB2      ASN  11  11.753 -17.338 -20.507
   83    HB3  ASN  11           HB3      ASN  11  11.306 -18.224 -19.042
   84   HD21  ASN  11          1HD2      ASN  11  12.561 -18.725 -22.410
   85   HD22  ASN  11          2HD2      ASN  11  13.473 -20.163 -22.017
   86    H    SER  12           H        SER  12   8.710 -19.219 -18.553
   87    HA   SER  12           HA       SER  12   9.193 -21.987 -18.579
   88    HG   SER  12           HG       SER  12   9.660 -20.706 -16.259
   89    HB2  SER  12           HB2      SER  12   6.945 -20.533 -17.131
   90    HB3  SER  12           HB3      SER  12   7.813 -21.980 -16.594
   91    H    PHE  13           H        PHE  13   6.930 -20.301 -20.525
   92    HA   PHE  13           HA       PHE  13   4.880 -22.204 -20.864
   93    HD1  PHE  13           HD1      PHE  13   2.661 -21.103 -22.249
   94    HD2  PHE  13           HD2      PHE  13   6.012 -21.363 -24.957
   95    HE1  PHE  13           HE1      PHE  13   1.139 -21.828 -24.071
   96    HE2  PHE  13           HE2      PHE  13   4.486 -22.087 -26.772
   97    HZ   PHE  13           HZ       PHE  13   2.047 -22.321 -26.335
   98    HB2  PHE  13           HB2      PHE  13   4.901 -19.927 -21.809
   99    HB3  PHE  13           HB3      PHE  13   6.283 -20.334 -22.816
  100    H    TRP  14           H        TRP  14   8.298 -22.235 -21.809
  101    HA   TRP  14           HA       TRP  14   7.850 -24.328 -23.825
  102    HD1  TRP  14           HD1      TRP  14   8.598 -23.375 -26.413
  103    HE1  TRP  14           HE1      TRP  14   9.989 -24.681 -28.104
  104    HE3  TRP  14           HE3      TRP  14  12.509 -24.701 -23.375
  105    HZ2  TRP  14           HZ2      TRP  14  12.499 -26.137 -28.146
  106    HZ3  TRP  14           HZ3      TRP  14  14.384 -26.050 -24.272
  107    HH2  TRP  14           HH2      TRP  14  14.391 -26.774 -26.652
  108    HB2  TRP  14           HB2      TRP  14   9.337 -22.202 -24.054
  109    HB3  TRP  14           HB3      TRP  14  10.501 -23.077 -23.070
  110    H    THR  15           H        THR  15   8.304 -24.365 -20.533
  111    HA   THR  15           HA       THR  15  10.247 -26.490 -20.265
  112    HB   THR  15           HB       THR  15   8.102 -25.586 -18.300
  113    HG1  THR  15           HG1      THR  15   9.784 -24.246 -17.491
  114   HG21  THR  15          3HG2      THR  15  10.794 -26.975 -17.877
  115   HG22  THR  15          1HG2      THR  15   9.192 -27.714 -17.670
  116   HG23  THR  15          2HG2      THR  15   9.702 -26.413 -16.589
  Start of MODEL    3
    1    HA   ASP   1           HA       ASP   1  -2.265   0.651  -1.694
    2    H1   ASP   1           H1       ASP   1  -2.039  -1.053   0.677
    3    H2   ASP   1           H2       ASP   1  -3.394  -0.758  -0.188
    4    H3   ASP   1           H3       ASP   1  -2.690   0.460   0.677
    5    HB2  ASP   1           HB2      ASP   1   0.132   0.180   0.117
    6    HB3  ASP   1           HB3      ASP   1   0.241   0.858  -1.511
    7    H    TRP   2           H        TRP   2  -0.960  -0.164  -3.518
    8    HA   TRP   2           HA       TRP   2  -0.075  -2.944  -3.494
    9    HD1  TRP   2           HD1      TRP   2  -2.571  -2.993  -7.393
   10    HE1  TRP   2           HE1      TRP   2  -2.004  -5.198  -8.536
   11    HE3  TRP   2           HE3      TRP   2  -0.478  -5.442  -3.406
   12    HZ2  TRP   2           HZ2      TRP   2  -0.821  -7.753  -7.804
   13    HZ3  TRP   2           HZ3      TRP   2   0.360  -7.759  -3.665
   14    HH2  TRP   2           HH2      TRP   2   0.188  -8.922  -5.860
   15    HB2  TRP   2           HB2      TRP   2  -2.488  -3.241  -3.785
   16    HB3  TRP   2           HB3      TRP   2  -2.521  -2.035  -5.062
   17    H    GLU   3           H        GLU   3   1.848  -2.682  -4.481
   18    HA   GLU   3           HA       GLU   3   2.358  -0.624  -6.463
   19    HB2  GLU   3           HB2      GLU   3   4.620  -1.479  -6.311
   20    HB3  GLU   3           HB3      GLU   3   3.969  -1.127  -4.738
   21    HG2  GLU   3           HG2      GLU   3   3.892  -3.983  -5.757
   22    HG3  GLU   3           HG3      GLU   3   5.408  -3.296  -5.203
   23    H    TYR   4           H        TYR   4   3.927  -1.594  -8.245
   24    HA   TYR   4           HA       TYR   4   2.395  -3.448  -9.945
   25    HD1  TYR   4           HD1      TYR   4   2.365  -3.238 -12.595
   26    HD2  TYR   4           HD2      TYR   4   6.479  -3.788 -11.418
   27    HE1  TYR   4           HE1      TYR   4   2.703  -4.762 -14.517
   28    HE2  TYR   4           HE2      TYR   4   6.832  -5.310 -13.341
   29    HH   TYR   4           HH       TYR   4   4.206  -6.112 -15.672
   30    HB2  TYR   4           HB2      TYR   4   3.616  -1.621 -11.008
   31    HB3  TYR   4           HB3      TYR   4   5.131  -2.162 -10.291
   32    H    HIS   5           H        HIS   5   2.381  -5.523  -9.291
   33    HA   HIS   5           HA       HIS   5   4.378  -6.693  -7.625
   34    HD1  HIS   5           HD1      HIS   5   0.739  -7.007 -10.303
   35    HD2  HIS   5           HD2      HIS   5   2.974 -10.504  -9.503
   36    HE1  HIS   5           HE1      HIS   5   0.054  -8.727 -12.063
   37    HE2  HIS   5           HE2      HIS   5   1.387 -10.862 -11.556
   38    HB2  HIS   5           HB2      HIS   5   3.114  -8.647  -7.683
   39    HB3  HIS   5           HB3      HIS   5   1.952  -7.342  -7.741
   40    H    ALA   6           H        ALA   6   5.610  -8.666  -8.188
   41    HA   ALA   6           HA       ALA   6   7.204  -8.265 -10.602
   42    HB1  ALA   6           HB3      ALA   6   7.404 -10.348  -8.380
   43    HB2  ALA   6           HB1      ALA   6   8.576 -10.097  -9.689
   44    HB3  ALA   6           HB2      ALA   6   8.313  -8.819  -8.488
   45    H    HIS   7           H        HIS   7   5.449  -8.597 -12.081
   46    HA   HIS   7           HA       HIS   7   4.063 -10.954 -12.549
   47    HD1  HIS   7           HD1      HIS   7   1.869 -10.534 -15.244
   48    HD2  HIS   7           HD2      HIS   7   5.915 -10.355 -16.452
   49    HE1  HIS   7           HE1      HIS   7   1.989 -11.631 -17.558
   50    HE2  HIS   7           HE2      HIS   7   4.451 -11.518 -18.290
   51    HB2  HIS   7           HB2      HIS   7   3.485  -9.044 -13.732
   52    HB3  HIS   7           HB3      HIS   7   5.120  -8.783 -14.363
   53    HA   PRO   8           HA       PRO   8   7.338 -13.841 -13.308
   54    HB2  PRO   8           HB2      PRO   8   5.988 -15.907 -14.391
   55    HB3  PRO   8           HB3      PRO   8   5.806 -15.412 -12.683
   56    HG2  PRO   8           HG2      PRO   8   4.035 -14.702 -15.051
   57    HG3  PRO   8           HG3      PRO   8   3.530 -15.317 -13.440
   58    HD2  PRO   8           HD2      PRO   8   3.515 -12.656 -14.034
   59    HD3  PRO   8           HD3      PRO   8   3.989 -13.238 -12.405
   60    H    LYS   9           H        LYS   9   8.559 -14.977 -14.928
   61    HA   LYS   9           HA       LYS   9   8.633 -13.637 -17.508
   62    HB2  LYS   9           HB2      LYS   9  10.655 -14.388 -16.138
   63    HB3  LYS   9           HB3      LYS   9  10.199 -16.048 -16.495
   64    HG2  LYS   9           HG2      LYS   9  11.902 -15.525 -18.030
   65    HG3  LYS   9           HG3      LYS   9  10.423 -15.442 -18.986
   66    HD2  LYS   9           HD2      LYS   9  10.449 -12.934 -18.733
   67    HD3  LYS   9           HD3      LYS   9  11.945 -13.077 -17.789
   68    HE2  LYS   9           HE2      LYS   9  13.060 -14.164 -19.732
   69    HE3  LYS   9           HE3      LYS   9  11.574 -14.004 -20.678
   70    HZ1  LYS   9           HZ3      LYS   9  13.164 -11.751 -19.602
   71    HZ2  LYS   9           HZ1      LYS   9  11.787 -11.598 -20.479
   72    HZ3  LYS   9           HZ2      LYS   9  13.128 -12.234 -21.161
   73    HA   HYP  10           HA       HYP  10   5.790 -16.705 -19.153
   74    HG   HYP  10           HG       HYP  10   7.851 -14.893 -21.800
   75    HB2  HYP  10           HB2      HYP  10   5.787 -16.103 -21.810
   76    HB3  HYP  10           HB3      HYP  10   5.068 -15.021 -20.575
   77   HD22  HYP  10          HD3       HYP  10   7.069 -13.347 -19.320
   78   HD23  HYP  10          HD2       HYP  10   8.678 -13.911 -19.868
   79    HD1  HYP  10           HOD      HYP  10   5.845 -12.936 -21.254
   80    H    ASN  11           H        ASN  11   9.162 -16.611 -19.967
   81    HA   ASN  11           HA       ASN  11   9.459 -18.547 -21.910
   82    HB2  ASN  11           HB2      ASN  11  11.286 -17.136 -21.093
   83    HB3  ASN  11           HB3      ASN  11  11.233 -17.925 -19.512
   84   HD21  ASN  11          1HD2      ASN  11  12.523 -19.768 -19.208
   85   HD22  ASN  11          2HD2      ASN  11  13.328 -20.614 -20.507
   86    H    SER  12           H        SER  12   8.873 -19.049 -18.416
   87    HA   SER  12           HA       SER  12   9.596 -21.757 -18.311
   88    HG   SER  12           HG       SER  12   9.365 -19.620 -15.359
   89    HB2  SER  12           HB2      SER  12   7.528 -20.358 -16.574
   90    HB3  SER  12           HB3      SER  12   8.628 -21.669 -16.113
   91    H    PHE  13           H        PHE  13   6.832 -20.440 -19.889
   92    HA   PHE  13           HA       PHE  13   4.991 -22.573 -19.683
   93    HD1  PHE  13           HD2      PHE  13   2.435 -21.844 -20.546
   94    HD2  PHE  13           HD1      PHE  13   5.070 -21.882 -23.964
   95    HE1  PHE  13           HE2      PHE  13   0.641 -22.867 -21.925
   96    HE2  PHE  13           HE1      PHE  13   3.275 -22.904 -25.335
   97    HZ   PHE  13           HZ       PHE  13   1.057 -23.399 -24.320
   98    HB2  PHE  13           HB2      PHE  13   4.546 -20.370 -20.712
   99    HB3  PHE  13           HB3      PHE  13   5.709 -20.712 -21.985
  100    H    TRP  14           H        TRP  14   8.131 -22.306 -21.278
  101    HA   TRP  14           HA       TRP  14   7.584 -24.517 -23.119
  102    HD1  TRP  14           HD1      TRP  14  11.314 -25.024 -24.403
  103    HE1  TRP  14           HE1      TRP  14  11.097 -25.589 -26.883
  104    HE3  TRP  14           HE3      TRP  14   7.130 -22.275 -25.476
  105    HZ2  TRP  14           HZ2      TRP  14   9.316 -24.926 -29.084
  106    HZ3  TRP  14           HZ3      TRP  14   6.194 -22.260 -27.771
  107    HH2  TRP  14           HH2      TRP  14   7.276 -23.579 -29.580
  108    HB2  TRP  14           HB2      TRP  14   8.911 -22.244 -23.501
  109    HB3  TRP  14           HB3      TRP  14  10.256 -23.149 -22.829
  110    H    THR  15           H        THR  15   8.552 -24.360 -19.932
  111    HA   THR  15           HA       THR  15  10.669 -26.332 -19.907
  112    HB   THR  15           HB       THR  15   8.837 -25.436 -17.643
  113    HG1  THR  15           HG1      THR  15  10.512 -23.937 -17.221
  114   HG21  THR  15          3HG2      THR  15  11.651 -26.633 -17.628
  115   HG22  THR  15          1HG2      THR  15  10.165 -27.450 -17.102
  116   HG23  THR  15          2HG2      THR  15  10.760 -26.053 -16.200
  Start of MODEL    4
    1    HA   ASP   1           HA       ASP   1  -1.371  -1.250  -0.888
    2    H1   ASP   1           H1       ASP   1   1.193  -2.387  -0.029
    3    H2   ASP   1           H2       ASP   1  -0.275  -3.072   0.176
    4    H3   ASP   1           H3       ASP   1   0.093  -1.683   0.973
    5    HB2  ASP   1           HB2      ASP   1   0.174   0.526  -0.218
    6    HB3  ASP   1           HB3      ASP   1   1.450  -0.165  -1.233
    7    H    TRP   2           H        TRP   2  -1.890  -1.557  -3.066
    8    HA   TRP   2           HA       TRP   2  -0.633  -3.853  -4.340
    9    HD1  TRP   2           HD1      TRP   2  -4.757  -2.331  -3.386
   10    HE1  TRP   2           HE1      TRP   2  -5.808  -4.213  -2.023
   11    HE3  TRP   2           HE3      TRP   2  -1.694  -6.172  -4.843
   12    HZ2  TRP   2           HZ2      TRP   2  -5.368  -7.060  -1.601
   13    HZ3  TRP   2           HZ3      TRP   2  -2.034  -8.454  -3.941
   14    HH2  TRP   2           HH2      TRP   2  -3.870  -8.905  -2.320
   15    HB2  TRP   2           HB2      TRP   2  -2.963  -2.101  -5.197
   16    HB3  TRP   2           HB3      TRP   2  -2.465  -3.606  -5.959
   17    H    GLU   3           H        GLU   3   1.470  -2.537  -4.412
   18    HA   GLU   3           HA       GLU   3   1.876  -0.702  -6.581
   19    HB2  GLU   3           HB2      GLU   3   4.232  -1.150  -6.141
   20    HB3  GLU   3           HB3      GLU   3   3.351  -0.779  -4.687
   21    HG2  GLU   3           HG2      GLU   3   3.307  -3.220  -4.102
   22    HG3  GLU   3           HG3      GLU   3   4.190  -3.574  -5.587
   23    H    TYR   4           H        TYR   4   3.708  -1.439  -8.168
   24    HA   TYR   4           HA       TYR   4   2.467  -3.368  -9.954
   25    HD1  TYR   4           HD2      TYR   4   2.480  -3.156 -12.523
   26    HD2  TYR   4           HD1      TYR   4   6.636  -3.210 -11.373
   27    HE1  TYR   4           HE2      TYR   4   2.998  -4.559 -14.493
   28    HE2  TYR   4           HE1      TYR   4   7.168  -4.609 -13.346
   29    HH   TYR   4           HH       TYR   4   4.655  -5.678 -15.690
   30    HB2  TYR   4           HB2      TYR   4   3.570  -1.417 -10.878
   31    HB3  TYR   4           HB3      TYR   4   5.104  -1.873 -10.141
   32    H    HIS   5           H        HIS   5   2.542  -5.476  -9.443
   33    HA   HIS   5           HA       HIS   5   4.528  -6.807  -7.965
   34    HD1  HIS   5           HD1      HIS   5   3.273  -6.845 -11.797
   35    HD2  HIS   5           HD2      HIS   5   0.576  -9.304  -9.665
   36    HE1  HIS   5           HE1      HIS   5   1.410  -7.489 -13.445
   37    HE2  HIS   5           HE2      HIS   5  -0.213  -9.002 -12.145
   38    HB2  HIS   5           HB2      HIS   5   3.446  -8.839  -8.791
   39    HB3  HIS   5           HB3      HIS   5   2.297  -7.627  -8.238
   40    H    ALA   6           H        ALA   6   6.138  -8.310  -8.636
   41    HA   ALA   6           HA       ALA   6   7.563  -7.675 -11.138
   42    HB1  ALA   6           HB3      ALA   6   8.205  -9.632  -8.883
   43    HB2  ALA   6           HB1      ALA   6   9.233  -9.280 -10.287
   44    HB3  ALA   6           HB2      ALA   6   8.892  -8.002  -9.103
   45    H    HIS   7           H        HIS   7   5.886  -8.297 -12.538
   46    HA   HIS   7           HA       HIS   7   4.549 -10.699 -12.707
   47    HD1  HIS   7           HD1      HIS   7   2.259 -10.714 -15.279
   48    HD2  HIS   7           HD2      HIS   7   6.183 -10.345 -16.804
   49    HE1  HIS   7           HE1      HIS   7   2.293 -11.965 -17.517
   50    HE2  HIS   7           HE2      HIS   7   4.679 -11.738 -18.444
   51    HB2  HIS   7           HB2      HIS   7   3.870  -8.943 -14.054
   52    HB3  HIS   7           HB3      HIS   7   5.468  -8.707 -14.780
   53    HA   PRO   8           HA       PRO   8   7.812 -13.643 -13.386
   54    HB2  PRO   8           HB2      PRO   8   6.410 -15.806 -14.171
   55    HB3  PRO   8           HB3      PRO   8   6.352 -15.158 -12.505
   56    HG2  PRO   8           HG2      PRO   8   4.396 -14.680 -14.784
   57    HG3  PRO   8           HG3      PRO   8   4.024 -15.142 -13.088
   58    HD2  PRO   8           HD2      PRO   8   3.931 -12.553 -13.929
   59    HD3  PRO   8           HD3      PRO   8   4.532 -12.972 -12.293
   60    H    LYS   9           H        LYS   9   8.902 -14.949 -15.008
   61    HA   LYS   9           HA       LYS   9   8.883 -13.706 -17.613
   62    HB2  LYS   9           HB2      LYS   9  10.917 -14.567 -16.342
   63    HB3  LYS   9           HB3      LYS   9  10.342 -16.200 -16.649
   64    HG2  LYS   9           HG2      LYS   9  11.986 -15.799 -18.285
   65    HG3  LYS   9           HG3      LYS   9  10.462 -15.633 -19.159
   66    HD2  LYS   9           HD2      LYS   9  10.653 -13.134 -18.957
   67    HD3  LYS   9           HD3      LYS   9  12.174 -13.347 -18.069
   68    HE2  LYS   9           HE2      LYS   9  13.149 -14.524 -20.036
   69    HE3  LYS   9           HE3      LYS   9  11.639 -14.283 -20.928
   70    HZ1  LYS   9           HZ3      LYS   9  13.401 -12.120 -19.938
   71    HZ2  LYS   9           HZ1      LYS   9  12.003 -11.893 -20.764
   72    HZ3  LYS   9           HZ2      LYS   9  13.276 -12.614 -21.489
   73    HA   HYP  10           HA       HYP  10   5.742 -16.593 -19.021
   74    HG   HYP  10           HG       HYP  10   7.566 -14.721 -21.837
   75    HB2  HYP  10           HB2      HYP  10   5.498 -15.895 -21.644
   76    HB3  HYP  10           HB3      HYP  10   4.946 -14.841 -20.304
   77   HD22  HYP  10          HD3       HYP  10   7.162 -13.285 -19.208
   78   HD23  HYP  10          HD2       HYP  10   8.667 -13.910 -19.955
   79    HD1  HYP  10           HOD      HYP  10   7.043 -12.532 -21.876
   80    H    ASN  11           H        ASN  11   9.010 -16.594 -20.206
   81    HA   ASN  11           HA       ASN  11   9.038 -18.551 -22.157
   82    HB2  ASN  11           HB2      ASN  11  10.997 -17.221 -21.539
   83    HB3  ASN  11           HB3      ASN  11  11.053 -17.983 -19.945
   84   HD21  ASN  11          1HD2      ASN  11  12.238 -19.910 -19.717
   85   HD22  ASN  11          2HD2      ASN  11  12.903 -20.801 -21.064
   86    H    SER  12           H        SER  12   8.796 -18.986 -18.613
   87    HA   SER  12           HA       SER  12   9.453 -21.698 -18.533
   88    HG   SER  12           HG       SER  12   9.572 -19.495 -15.621
   89    HB2  SER  12           HB2      SER  12   7.608 -20.233 -16.611
   90    HB3  SER  12           HB3      SER  12   8.734 -21.553 -16.246
   91    H    PHE  13           H        PHE  13   6.580 -20.366 -19.837
   92    HA   PHE  13           HA       PHE  13   4.689 -22.406 -19.412
   93    HD1  PHE  13           HD1      PHE  13   2.075 -21.593 -20.233
   94    HD2  PHE  13           HD2      PHE  13   4.602 -21.914 -23.718
   95    HE1  PHE  13           HE1      PHE  13   0.193 -22.586 -21.514
   96    HE2  PHE  13           HE2      PHE  13   2.719 -22.905 -24.991
   97    HZ   PHE  13           HZ       PHE  13   0.513 -23.248 -23.891
   98    HB2  PHE  13           HB2      PHE  13   4.245 -20.249 -20.504
   99    HB3  PHE  13           HB3      PHE  13   5.335 -20.656 -21.820
  100    H    TRP  14           H        TRP  14   7.676 -22.339 -21.336
  101    HA   TRP  14           HA       TRP  14   6.824 -24.720 -22.880
  102    HD1  TRP  14           HD1      TRP  14   6.429 -24.289 -25.628
  103    HE1  TRP  14           HE1      TRP  14   7.413 -25.632 -27.559
  104    HE3  TRP  14           HE3      TRP  14  11.362 -24.184 -24.238
  105    HZ2  TRP  14           HZ2      TRP  14  10.030 -26.557 -28.410
  106    HZ3  TRP  14           HZ3      TRP  14  13.076 -25.305 -25.633
  107    HH2  TRP  14           HH2      TRP  14  12.423 -26.496 -27.715
  108    HB2  TRP  14           HB2      TRP  14   7.665 -22.510 -23.917
  109    HB3  TRP  14           HB3      TRP  14   9.260 -22.979 -23.347
  110    H    THR  15           H        THR  15   8.508 -24.137 -20.078
  111    HA   THR  15           HA       THR  15  10.739 -25.969 -20.403
  112    HB   THR  15           HB       THR  15   9.464 -24.864 -17.868
  113    HG1  THR  15           HG1      THR  15  11.589 -23.816 -19.456
  114   HG21  THR  15          3HG2      THR  15  12.276 -25.931 -18.395
  115   HG22  THR  15          1HG2      THR  15  11.026 -26.697 -17.394
  116   HG23  THR  15          2HG2      THR  15  11.726 -25.152 -16.891
  Start of MODEL    5
    1    HA   ASP   1           HA       ASP   1  -0.336   0.018  -0.317
    2    H1   ASP   1           H1       ASP   1   1.408  -1.168   0.724
    3    H2   ASP   1           H2       ASP   1   1.709   0.446   0.904
    4    H3   ASP   1           H3       ASP   1   2.554  -0.449  -0.192
    5    HB2  ASP   1           HB2      ASP   1   1.912   1.431  -1.803
    6    HB3  ASP   1           HB3      ASP   1   0.216   1.481  -2.297
    7    H    TRP   2           H        TRP   2  -1.255  -0.615  -2.428
    8    HA   TRP   2           HA       TRP   2  -0.152  -3.166  -3.325
    9    HD1  TRP   2           HD1      TRP   2  -3.202  -2.604  -6.509
   10    HE1  TRP   2           HE1      TRP   2  -3.409  -4.910  -7.579
   11    HE3  TRP   2           HE3      TRP   2  -1.379  -5.436  -2.648
   12    HZ2  TRP   2           HZ2      TRP   2  -2.831  -7.670  -6.857
   13    HZ3  TRP   2           HZ3      TRP   2  -1.214  -7.899  -2.873
   14    HH2  TRP   2           HH2      TRP   2  -1.938  -9.021  -4.975
   15    HB2  TRP   2           HB2      TRP   2  -2.561  -2.827  -2.884
   16    HB3  TRP   2           HB3      TRP   2  -2.642  -1.655  -4.193
   17    H    GLU   3           H        GLU   3   1.879  -2.160  -4.089
   18    HA   GLU   3           HA       GLU   3   1.925  -0.677  -6.552
   19    HB2  GLU   3           HB2      GLU   3   4.306  -1.205  -6.484
   20    HB3  GLU   3           HB3      GLU   3   3.722  -0.552  -4.979
   21    HG2  GLU   3           HG2      GLU   3   3.702  -2.864  -3.999
   22    HG3  GLU   3           HG3      GLU   3   4.302  -3.497  -5.533
   23    H    TYR   4           H        TYR   4   3.347  -1.729  -8.322
   24    HA   TYR   4           HA       TYR   4   1.737  -3.835  -9.515
   25    HD1  TYR   4           HD1      TYR   4   1.149  -3.815 -12.009
   26    HD2  TYR   4           HD2      TYR   4   5.451  -4.114 -11.864
   27    HE1  TYR   4           HE1      TYR   4   1.096  -5.383 -13.922
   28    HE2  TYR   4           HE2      TYR   4   5.411  -5.682 -13.781
   29    HH   TYR   4           HH       TYR   4   2.347  -6.688 -15.386
   30    HB2  TYR   4           HB2      TYR   4   2.709  -2.036 -10.872
   31    HB3  TYR   4           HB3      TYR   4   4.336  -2.557 -10.445
   32    H    HIS   5           H        HIS   5   1.992  -5.959  -9.233
   33    HA   HIS   5           HA       HIS   5   3.973  -7.094  -7.581
   34    HD1  HIS   5           HD1      HIS   5   1.258 -10.768  -9.376
   35    HD2  HIS   5           HD2      HIS   5   2.190  -7.108 -11.275
   36    HE1  HIS   5           HE1      HIS   5   0.371 -10.934 -11.774
   37    HE2  HIS   5           HE2      HIS   5   0.917  -8.692 -12.906
   38    HB2  HIS   5           HB2      HIS   5   2.967  -9.176  -8.054
   39    HB3  HIS   5           HB3      HIS   5   1.691  -7.983  -7.931
   40    H    ALA   6           H        ALA   6   5.487  -8.845  -8.156
   41    HA   ALA   6           HA       ALA   6   7.144  -8.199 -10.490
   42    HB1  ALA   6           HB3      ALA   6   7.463 -10.316  -8.316
   43    HB2  ALA   6           HB1      ALA   6   8.642  -9.933  -9.588
   44    HB3  ALA   6           HB2      ALA   6   8.242  -8.714  -8.362
   45    H    HIS   7           H        HIS   7   5.475  -8.637 -12.032
   46    HA   HIS   7           HA       HIS   7   4.201 -11.033 -12.538
   47    HD1  HIS   7           HD1      HIS   7   2.111 -10.793 -15.298
   48    HD2  HIS   7           HD2      HIS   7   6.137 -10.171 -16.422
   49    HE1  HIS   7           HE1      HIS   7   2.367 -11.759 -17.658
   50    HE2  HIS   7           HE2      HIS   7   4.815 -11.378 -18.340
   51    HB2  HIS   7           HB2      HIS   7   3.567  -9.159 -13.729
   52    HB3  HIS   7           HB3      HIS   7   5.201  -8.796 -14.296
   53    HA   PRO   8           HA       PRO   8   7.581 -13.815 -13.329
   54    HB2  PRO   8           HB2      PRO   8   6.283 -15.926 -14.379
   55    HB3  PRO   8           HB3      PRO   8   6.101 -15.431 -12.670
   56    HG2  PRO   8           HG2      PRO   8   4.284 -14.787 -15.023
   57    HG3  PRO   8           HG3      PRO   8   3.816 -15.415 -13.406
   58    HD2  PRO   8           HD2      PRO   8   3.710 -12.758 -14.007
   59    HD3  PRO   8           HD3      PRO   8   4.208 -13.324 -12.379
   60    H    LYS   9           H        LYS   9   8.773 -14.949 -14.999
   61    HA   LYS   9           HA       LYS   9   8.784 -13.536 -17.536
   62    HB2  LYS   9           HB2      LYS   9  10.835 -14.299 -16.218
   63    HB3  LYS   9           HB3      LYS   9  10.405 -15.953 -16.626
   64    HG2  LYS   9           HG2      LYS   9  12.087 -15.335 -18.152
   65    HG3  LYS   9           HG3      LYS   9  10.599 -15.269 -19.096
   66    HD2  LYS   9           HD2      LYS   9  10.536 -12.777 -18.759
   67    HD3  LYS   9           HD3      LYS   9  12.038 -12.869 -17.845
   68    HE2  LYS   9           HE2      LYS   9  11.721 -13.771 -20.750
   69    HE3  LYS   9           HE3      LYS   9  12.260 -12.162 -20.264
   70    HZ1  LYS   9           HZ3      LYS   9  14.158 -13.173 -19.171
   71    HZ2  LYS   9           HZ1      LYS   9  14.125 -13.570 -20.752
   72    HZ3  LYS   9           HZ2      LYS   9  13.687 -14.674 -19.633
   73    HA   HYP  10           HA       HYP  10   5.883 -16.511 -19.197
   74    HG   HYP  10           HG       HYP  10   7.906 -14.656 -21.839
   75    HB2  HYP  10           HB2      HYP  10   5.831 -15.844 -21.843
   76    HB3  HYP  10           HB3      HYP  10   5.148 -14.791 -20.562
   77   HD22  HYP  10          HD3       HYP  10   7.179 -13.184 -19.295
   78   HD23  HYP  10          HD2       HYP  10   8.777 -13.724 -19.898
   79    HD1  HYP  10           HOD      HYP  10   5.921 -12.702 -21.207
   80    H    ASN  11           H        ASN  11   9.235 -16.476 -20.103
   81    HA   ASN  11           HA       ASN  11   9.417 -18.463 -22.024
   82    HB2  ASN  11           HB2      ASN  11  11.285 -17.035 -21.302
   83    HB3  ASN  11           HB3      ASN  11  11.305 -17.826 -19.722
   84   HD21  ASN  11          1HD2      ASN  11  12.692 -19.604 -19.496
   85   HD22  ASN  11          2HD2      ASN  11  13.385 -20.481 -20.838
   86    H    SER  12           H        SER  12   8.695 -18.841 -18.580
   87    HA   SER  12           HA       SER  12   9.473 -21.559 -18.358
   88    HG   SER  12           HG       SER  12   7.872 -22.338 -16.140
   89    HB2  SER  12           HB2      SER  12   9.054 -19.776 -16.531
   90    HB3  SER  12           HB3      SER  12   7.334 -20.160 -16.698
   91    H    PHE  13           H        PHE  13   6.807 -20.223 -20.086
   92    HA   PHE  13           HA       PHE  13   4.933 -22.329 -19.989
   93    HD1  PHE  13           HD1      PHE  13   2.446 -21.580 -21.040
   94    HD2  PHE  13           HD2      PHE  13   5.316 -21.651 -24.264
   95    HE1  PHE  13           HE1      PHE  13   0.743 -22.584 -22.541
   96    HE2  PHE  13           HE2      PHE  13   3.611 -22.658 -25.756
   97    HZ   PHE  13           HZ       PHE  13   1.322 -23.128 -24.900
   98    HB2  PHE  13           HB2      PHE  13   4.580 -20.132 -21.055
   99    HB3  PHE  13           HB3      PHE  13   5.826 -20.486 -22.244
  100    H    TRP  14           H        TRP  14   8.170 -22.129 -21.395
  101    HA   TRP  14           HA       TRP  14   7.676 -24.363 -23.236
  102    HD1  TRP  14           HD1      TRP  14  11.955 -24.109 -24.249
  103    HE1  TRP  14           HE1      TRP  14  12.035 -25.207 -26.551
  104    HE3  TRP  14           HE3      TRP  14   7.050 -23.493 -25.593
  105    HZ2  TRP  14           HZ2      TRP  14  10.188 -25.764 -28.726
  106    HZ3  TRP  14           HZ3      TRP  14   6.238 -24.319 -27.783
  107    HH2  TRP  14           HH2      TRP  14   7.795 -25.454 -29.356
  108    HB2  TRP  14           HB2      TRP  14   8.913 -22.159 -23.774
  109    HB3  TRP  14           HB3      TRP  14  10.252 -22.811 -22.838
  110    H    THR  15           H        THR  15   8.510 -24.161 -20.027
  111    HA   THR  15           HA       THR  15  10.642 -26.106 -19.865
  112    HB   THR  15           HB       THR  15   8.633 -25.251 -17.739
  113    HG1  THR  15           HG1      THR  15  10.171 -23.697 -17.202
  114   HG21  THR  15          3HG2      THR  15  11.451 -26.417 -17.513
  115   HG22  THR  15          1HG2      THR  15   9.936 -27.248 -17.101
  116   HG23  THR  15          2HG2      THR  15  10.452 -25.848 -16.155
  Start of MODEL    6
    1    HA   ASP   1           HA       ASP   1  -0.104   1.227  -0.845
    2    H1   ASP   1           H1       ASP   1   2.717   1.172  -0.040
    3    H2   ASP   1           H2       ASP   1   1.484   0.438   0.740
    4    H3   ASP   1           H3       ASP   1   1.549   2.078   0.683
    5    HB2  ASP   1           HB2      ASP   1   0.978   3.336  -1.425
    6    HB3  ASP   1           HB3      ASP   1   2.328   2.474  -2.180
    7    H    TRP   2           H        TRP   2  -0.707  -0.331  -2.351
    8    HA   TRP   2           HA       TRP   2   1.137  -2.582  -2.695
    9    HD1  TRP   2           HD1      TRP   2   0.023  -5.240  -2.005
   10    HE1  TRP   2           HE1      TRP   2  -0.020  -7.266  -3.551
   11    HE3  TRP   2           HE3      TRP   2  -1.971  -3.023  -6.180
   12    HZ2  TRP   2           HZ2      TRP   2  -0.812  -7.864  -6.279
   13    HZ3  TRP   2           HZ3      TRP   2  -2.338  -4.348  -8.239
   14    HH2  TRP   2           HH2      TRP   2  -1.761  -6.770  -8.298
   15    HB2  TRP   2           HB2      TRP   2  -1.264  -2.890  -2.076
   16    HB3  TRP   2           HB3      TRP   2  -1.731  -2.257  -3.648
   17    H    GLU   3           H        GLU   3   2.726  -1.780  -4.044
   18    HA   GLU   3           HA       GLU   3   2.292  -0.655  -6.625
   19    HB2  GLU   3           HB2      GLU   3   4.631  -1.282  -6.994
   20    HB3  GLU   3           HB3      GLU   3   4.378  -0.415  -5.506
   21    HG2  GLU   3           HG2      GLU   3   4.532  -2.579  -4.236
   22    HG3  GLU   3           HG3      GLU   3   4.784  -3.431  -5.761
   23    H    TYR   4           H        TYR   4   3.204  -1.855  -8.555
   24    HA   TYR   4           HA       TYR   4   1.296  -3.874  -9.237
   25    HD1  TYR   4           HD2      TYR   4   0.258  -3.586 -11.720
   26    HD2  TYR   4           HD1      TYR   4   4.320  -4.991 -12.066
   27    HE1  TYR   4           HE2      TYR   4  -0.445  -5.153 -13.502
   28    HE2  TYR   4           HE1      TYR   4   3.631  -6.567 -13.847
   29    HH   TYR   4           HH       TYR   4   0.231  -6.792 -15.015
   30    HB2  TYR   4           HB2      TYR   4   2.273  -2.262 -10.847
   31    HB3  TYR   4           HB3      TYR   4   3.833  -3.067 -10.710
   32    H    HIS   5           H        HIS   5   1.389  -6.055  -9.224
   33    HA   HIS   5           HA       HIS   5   3.182  -7.385  -7.547
   34    HD1  HIS   5           HD1      HIS   5   0.951 -11.071  -9.707
   35    HD2  HIS   5           HD2      HIS   5   1.305  -7.158 -11.256
   36    HE1  HIS   5           HE1      HIS   5   0.253 -11.188 -12.170
   37    HE2  HIS   5           HE2      HIS   5   0.464  -8.797 -13.099
   38    HB2  HIS   5           HB2      HIS   5   2.052  -9.363  -8.071
   39    HB3  HIS   5           HB3      HIS   5   0.845  -8.100  -8.128
   40    H    ALA   6           H        ALA   6   4.578  -9.239  -8.043
   41    HA   ALA   6           HA       ALA   6   6.479  -8.684 -10.202
   42    HB1  ALA   6           HB3      ALA   6   6.431 -10.860  -8.062
   43    HB2  ALA   6           HB1      ALA   6   7.753 -10.544  -9.204
   44    HB3  ALA   6           HB2      ALA   6   7.326  -9.321  -7.991
   45    H    HIS   7           H        HIS   7   4.937  -8.968 -11.909
   46    HA   HIS   7           HA       HIS   7   3.606 -11.280 -12.641
   47    HD1  HIS   7           HD1      HIS   7   1.838 -10.802 -15.599
   48    HD2  HIS   7           HD2      HIS   7   6.007 -10.552 -16.253
   49    HE1  HIS   7           HE1      HIS   7   2.275 -11.802 -17.918
   50    HE2  HIS   7           HE2      HIS   7   4.810 -11.646 -18.313
   51    HB2  HIS   7           HB2      HIS   7   3.234  -9.332 -13.845
   52    HB3  HIS   7           HB3      HIS   7   4.946  -9.084 -14.225
   53    HA   PRO   8           HA       PRO   8   6.909 -14.221 -13.029
   54    HB2  PRO   8           HB2      PRO   8   5.683 -16.220 -14.360
   55    HB3  PRO   8           HB3      PRO   8   5.284 -15.783 -12.673
   56    HG2  PRO   8           HG2      PRO   8   3.853 -14.957 -15.226
   57    HG3  PRO   8           HG3      PRO   8   3.130 -15.611 -13.718
   58    HD2  PRO   8           HD2      PRO   8   3.237 -12.935 -14.218
   59    HD3  PRO   8           HD3      PRO   8   3.481 -13.575 -12.561
   60    H    LYS   9           H        LYS   9   8.312 -15.348 -14.532
   61    HA   LYS   9           HA       LYS   9   8.793 -13.835 -16.956
   62    HB2  LYS   9           HB2      LYS   9  10.573 -14.775 -15.402
   63    HB3  LYS   9           HB3      LYS   9  10.115 -16.386 -15.939
   64    HG2  LYS   9           HG2      LYS   9  12.039 -15.816 -17.173
   65    HG3  LYS   9           HG3      LYS   9  10.712 -15.637 -18.321
   66    HD2  LYS   9           HD2      LYS   9  10.728 -13.162 -17.914
   67    HD3  LYS   9           HD3      LYS   9  12.060 -13.356 -16.781
   68    HE2  LYS   9           HE2      LYS   9  12.160 -14.165 -19.729
   69    HE3  LYS   9           HE3      LYS   9  12.692 -12.599 -19.111
   70    HZ1  LYS   9           HZ3      LYS   9  14.542 -14.089 -19.352
   71    HZ2  LYS   9           HZ1      LYS   9  13.882 -15.197 -18.351
   72    HZ3  LYS   9           HZ2      LYS   9  14.346 -13.735 -17.771
   73    HA   HYP  10           HA       HYP  10   5.963 -16.534 -19.133
   74    HG   HYP  10           HG       HYP  10   8.275 -14.496 -21.418
   75    HB2  HYP  10           HB2      HYP  10   6.194 -15.633 -21.700
   76    HB3  HYP  10           HB3      HYP  10   5.420 -14.679 -20.395
   77   HD22  HYP  10          HD3       HYP  10   7.387 -13.270 -18.799
   78   HD23  HYP  10          HD2       HYP  10   9.009 -13.832 -19.309
   79    HD1  HYP  10           HOD      HYP  10   7.781 -12.301 -21.382
   80    H    ASN  11           H        ASN  11   9.386 -16.584 -19.688
   81    HA   ASN  11           HA       ASN  11   9.667 -18.450 -21.724
   82    HB2  ASN  11           HB2      ASN  11  11.511 -17.141 -20.733
   83    HB3  ASN  11           HB3      ASN  11  11.369 -18.059 -19.229
   84   HD21  ASN  11          1HD2      ASN  11  12.690 -19.891 -19.047
   85   HD22  ASN  11          2HD2      ASN  11  13.456 -20.686 -20.400
   86    H    SER  12           H        SER  12   8.538 -18.996 -18.425
   87    HA   SER  12           HA       SER  12   9.179 -21.755 -18.262
   88    HG   SER  12           HG       SER  12   7.754 -21.648 -15.075
   89    HB2  SER  12           HB2      SER  12   8.481 -19.971 -16.449
   90    HB3  SER  12           HB3      SER  12   6.829 -20.474 -16.836
   91    H    PHE  13           H        PHE  13   6.801 -20.175 -20.224
   92    HA   PHE  13           HA       PHE  13   4.888 -22.223 -20.556
   93    HD1  PHE  13           HD2      PHE  13   2.573 -21.321 -21.777
   94    HD2  PHE  13           HD1      PHE  13   5.760 -21.156 -24.683
   95    HE1  PHE  13           HE2      PHE  13   1.017 -22.126 -23.536
   96    HE2  PHE  13           HE1      PHE  13   4.201 -21.959 -26.435
   97    HZ   PHE  13           HZ       PHE  13   1.827 -22.445 -25.868
   98    HB2  PHE  13           HB2      PHE  13   4.722 -19.923 -21.445
   99    HB3  PHE  13           HB3      PHE  13   6.086 -20.222 -22.514
  100    H    TRP  14           H        TRP  14   8.284 -22.037 -21.482
  101    HA   TRP  14           HA       TRP  14   8.017 -24.040 -23.604
  102    HD1  TRP  14           HD1      TRP  14  12.251 -24.313 -23.867
  103    HE1  TRP  14           HE1      TRP  14  12.660 -24.960 -26.299
  104    HE3  TRP  14           HE3      TRP  14   8.000 -22.341 -25.935
  105    HZ2  TRP  14           HZ2      TRP  14  11.307 -24.651 -28.855
  106    HZ3  TRP  14           HZ3      TRP  14   7.591 -22.533 -28.369
  107    HH2  TRP  14           HH2      TRP  14   9.232 -23.683 -29.838
  108    HB2  TRP  14           HB2      TRP  14   9.468 -21.871 -23.599
  109    HB3  TRP  14           HB3      TRP  14  10.582 -22.783 -22.590
  110    H    THR  15           H        THR  15   8.316 -24.199 -20.286
  111    HA   THR  15           HA       THR  15  10.271 -26.303 -19.995
  112    HB   THR  15           HB       THR  15   8.014 -25.479 -18.124
  113    HG1  THR  15           HG1      THR  15   9.486 -24.056 -17.256
  114   HG21  THR  15          3HG2      THR  15   9.060 -27.616 -17.478
  115   HG22  THR  15          1HG2      THR  15   9.516 -26.340 -16.343
  116   HG23  THR  15          2HG2      THR  15  10.674 -26.883 -17.580
  Start of MODEL    7
    1    HA   ASP   1           HA       ASP   1  -0.528  -1.066  -0.829
    2    H1   ASP   1           H1       ASP   1   2.308  -1.788  -0.696
    3    H2   ASP   1           H2       ASP   1   1.072  -2.546   0.056
    4    H3   ASP   1           H3       ASP   1   1.490  -1.012   0.505
    5    HB2  ASP   1           HB2      ASP   1   1.884   0.371  -2.002
    6    HB3  ASP   1           HB3      ASP   1   0.218   0.644  -2.525
    7    H    TRP   2           H        TRP   2  -1.392  -1.261  -3.047
    8    HA   TRP   2           HA       TRP   2  -0.528  -3.767  -4.250
    9    HD1  TRP   2           HD1      TRP   2  -2.556  -5.500  -3.562
   10    HE1  TRP   2           HE1      TRP   2  -4.152  -5.769  -1.591
   11    HE3  TRP   2           HE3      TRP   2  -4.325  -0.694  -3.307
   12    HZ2  TRP   2           HZ2      TRP   2  -5.987  -4.099  -0.073
   13    HZ3  TRP   2           HZ3      TRP   2  -5.995  -0.068  -1.587
   14    HH2  TRP   2           HH2      TRP   2  -6.831  -1.766   0.032
   15    HB2  TRP   2           HB2      TRP   2  -2.812  -1.893  -4.960
   16    HB3  TRP   2           HB3      TRP   2  -2.575  -3.520  -5.578
   17    H    GLU   3           H        GLU   3   1.634  -2.500  -4.707
   18    HA   GLU   3           HA       GLU   3   1.761  -0.931  -7.114
   19    HB2  GLU   3           HB2      GLU   3   4.159  -1.259  -6.862
   20    HB3  GLU   3           HB3      GLU   3   3.412  -0.738  -5.379
   21    HG2  GLU   3           HG2      GLU   3   3.509  -3.108  -4.528
   22    HG3  GLU   3           HG3      GLU   3   4.291  -3.588  -6.035
   23    H    TYR   4           H        TYR   4   3.428  -1.815  -8.773
   24    HA   TYR   4           HA       TYR   4   2.136  -4.027 -10.166
   25    HD1  TYR   4           HD2      TYR   4   1.849  -4.005 -12.767
   26    HD2  TYR   4           HD1      TYR   4   6.099  -3.894 -12.031
   27    HE1  TYR   4           HE2      TYR   4   2.210  -5.541 -14.674
   28    HE2  TYR   4           HE1      TYR   4   6.474  -5.426 -13.942
   29    HH   TYR   4           HH       TYR   4   3.772  -6.690 -15.960
   30    HB2  TYR   4           HB2      TYR   4   3.033  -2.122 -11.406
   31    HB3  TYR   4           HB3      TYR   4   4.654  -2.446 -10.803
   32    H    HIS   5           H        HIS   5   2.450  -6.068  -9.510
   33    HA   HIS   5           HA       HIS   5   4.682  -6.917  -7.937
   34    HD1  HIS   5           HD1      HIS   5   0.761  -7.806 -10.121
   35    HD2  HIS   5           HD2      HIS   5   3.707 -10.820  -9.811
   36    HE1  HIS   5           HE1      HIS   5   0.168  -9.585 -11.857
   37    HE2  HIS   5           HE2      HIS   5   1.936 -11.432 -11.644
   38    HB2  HIS   5           HB2      HIS   5   3.662  -9.022  -7.878
   39    HB3  HIS   5           HB3      HIS   5   2.357  -7.854  -7.846
   40    H    ALA   6           H        ALA   6   6.085  -8.776  -8.558
   41    HA   ALA   6           HA       ALA   6   7.474  -8.248 -11.068
   42    HB1  ALA   6           HB3      ALA   6   9.067  -9.937 -10.236
   43    HB2  ALA   6           HB1      ALA   6   8.759  -8.678  -9.025
   44    HB3  ALA   6           HB2      ALA   6   8.006 -10.283  -8.856
   45    H    HIS   7           H        HIS   7   5.728  -8.759 -12.461
   46    HA   HIS   7           HA       HIS   7   4.461 -11.186 -12.822
   47    HD1  HIS   7           HD1      HIS   7   2.144 -10.954 -15.424
   48    HD2  HIS   7           HD2      HIS   7   6.118 -10.643 -16.831
   49    HE1  HIS   7           HE1      HIS   7   2.205 -12.119 -17.707
   50    HE2  HIS   7           HE2      HIS   7   4.623 -11.928 -18.558
   51    HB2  HIS   7           HB2      HIS   7   3.759  -9.341 -14.045
   52    HB3  HIS   7           HB3      HIS   7   5.357  -9.044 -14.751
   53    HA   PRO   8           HA       PRO   8   7.816 -13.968 -13.623
   54    HB2  PRO   8           HB2      PRO   8   6.506 -16.120 -14.579
   55    HB3  PRO   8           HB3      PRO   8   6.366 -15.572 -12.883
   56    HG2  PRO   8           HG2      PRO   8   4.487 -15.009 -15.209
   57    HG3  PRO   8           HG3      PRO   8   4.063 -15.592 -13.563
   58    HD2  PRO   8           HD2      PRO   8   3.922 -12.956 -14.230
   59    HD3  PRO   8           HD3      PRO   8   4.482 -13.468 -12.605
   60    H    LYS   9           H        LYS   9   8.994 -15.137 -15.261
   61    HA   LYS   9           HA       LYS   9   8.940 -13.872 -17.878
   62    HB2  LYS   9           HB2      LYS   9  11.022 -14.575 -16.564
   63    HB3  LYS   9           HB3      LYS   9  10.571 -16.241 -16.863
   64    HG2  LYS   9           HG2      LYS   9  12.220 -15.746 -18.481
   65    HG3  LYS   9           HG3      LYS   9  10.698 -15.764 -19.345
   66    HD2  LYS   9           HD2      LYS   9  11.721 -13.935 -20.263
   67    HD3  LYS   9           HD3      LYS   9  10.745 -13.135 -19.045
   68    HE2  LYS   9           HE2      LYS   9  13.692 -13.899 -18.710
   69    HE3  LYS   9           HE3      LYS   9  13.140 -12.337 -19.312
   70    HZ1  LYS   9           HZ3      LYS   9  13.636 -12.197 -16.999
   71    HZ2  LYS   9           HZ1      LYS   9  12.604 -13.396 -16.609
   72    HZ3  LYS   9           HZ2      LYS   9  12.033 -11.967 -17.191
   73    HA   HYP  10           HA       HYP  10   6.097 -17.000 -19.392
   74    HG   HYP  10           HG       HYP  10   8.166 -15.300 -22.130
   75    HB2  HYP  10           HB2      HYP  10   6.097 -16.519 -22.074
   76    HB3  HYP  10           HB3      HYP  10   5.388 -15.379 -20.885
   77   HD22  HYP  10          HD3       HYP  10   7.381 -13.669 -19.708
   78   HD23  HYP  10          HD2       HYP  10   8.992 -14.251 -20.229
   79    HD1  HYP  10           HOD      HYP  10   6.613 -13.958 -23.071
   80    H    ASN  11           H        ASN  11   9.467 -17.097 -19.982
   81    HA   ASN  11           HA       ASN  11   9.812 -19.123 -21.837
   82    HB2  ASN  11           HB2      ASN  11  11.643 -17.784 -20.924
   83    HB3  ASN  11           HB3      ASN  11  11.410 -18.499 -19.322
   84   HD21  ASN  11          1HD2      ASN  11  12.198 -19.394 -22.753
   85   HD22  ASN  11          2HD2      ASN  11  13.201 -20.759 -22.325
   86    H    SER  12           H        SER  12   8.768 -19.417 -18.435
   87    HA   SER  12           HA       SER  12   9.233 -22.183 -18.155
   88    HG   SER  12           HG       SER  12   9.860 -20.688 -16.033
   89    HB2  SER  12           HB2      SER  12   7.101 -20.523 -16.758
   90    HB3  SER  12           HB3      SER  12   7.963 -21.931 -16.117
   91    H    PHE  13           H        PHE  13   6.986 -20.772 -20.278
   92    HA   PHE  13           HA       PHE  13   4.931 -22.735 -20.248
   93    HD1  PHE  13           HD2      PHE  13   2.589 -21.711 -21.552
   94    HD2  PHE  13           HD1      PHE  13   5.714 -22.481 -24.422
   95    HE1  PHE  13           HE2      PHE  13   0.921 -22.673 -23.118
   96    HE2  PHE  13           HE1      PHE  13   4.045 -23.435 -25.987
   97    HZ   PHE  13           HZ       PHE  13   1.644 -23.535 -25.338
   98    HB2  PHE  13           HB2      PHE  13   4.856 -20.562 -21.442
   99    HB3  PHE  13           HB3      PHE  13   6.151 -21.092 -22.504
  100    H    TRP  14           H        TRP  14   8.304 -22.747 -21.326
  101    HA   TRP  14           HA       TRP  14   7.854 -25.066 -23.102
  102    HD1  TRP  14           HD1      TRP  14   9.038 -20.915 -23.233
  103    HE1  TRP  14           HE1      TRP  14   7.875 -19.867 -25.248
  104    HE3  TRP  14           HE3      TRP  14   8.488 -25.121 -26.098
  105    HZ2  TRP  14           HZ2      TRP  14   6.826 -20.747 -27.809
  106    HZ3  TRP  14           HZ3      TRP  14   7.402 -24.987 -28.321
  107    HH2  TRP  14           HH2      TRP  14   6.569 -22.810 -29.187
  108    HB2  TRP  14           HB2      TRP  14  10.243 -23.210 -22.776
  109    HB3  TRP  14           HB3      TRP  14  10.075 -24.461 -23.994
  110    H    THR  15           H        THR  15   8.855 -24.618 -19.932
  111    HA   THR  15           HA       THR  15  10.998 -26.606 -19.905
  112    HB   THR  15           HB       THR  15  10.638 -26.307 -17.342
  113    HG1  THR  15           HG1      THR  15   8.656 -25.188 -17.428
  114   HG21  THR  15          3HG2      THR  15  12.550 -25.394 -18.601
  115   HG22  THR  15          1HG2      THR  15  11.995 -24.243 -17.378
  116   HG23  THR  15          2HG2      THR  15  11.584 -23.985 -19.089
  Start of MODEL    8
    1    HA   ASP   1           HA       ASP   1   1.049   0.426  -1.365
    2    H1   ASP   1           H1       ASP   1  -0.006  -1.445   0.635
    3    H2   ASP   1           H2       ASP   1  -0.834  -0.214  -0.051
    4    H3   ASP   1           H3       ASP   1   0.436   0.110   0.940
    5    HB2  ASP   1           HB2      ASP   1   2.850  -0.202   0.101
    6    HB3  ASP   1           HB3      ASP   1   2.372  -1.906   0.059
    7    H    TRP   2           H        TRP   2   0.480  -0.074  -3.398
    8    HA   TRP   2           HA       TRP   2  -0.368  -2.817  -4.103
    9    HD1  TRP   2           HD1      TRP   2  -3.094   0.331  -2.260
   10    HE1  TRP   2           HE1      TRP   2  -4.249  -0.845  -0.310
   11    HE3  TRP   2           HE3      TRP   2  -2.371  -4.527  -3.720
   12    HZ2  TRP   2           HZ2      TRP   2  -4.775  -3.578   0.537
   13    HZ3  TRP   2           HZ3      TRP   2  -3.217  -6.392  -2.325
   14    HH2  TRP   2           HH2      TRP   2  -4.420  -5.925  -0.195
   15    HB2  TRP   2           HB2      TRP   2  -2.089  -0.334  -4.515
   16    HB3  TRP   2           HB3      TRP   2  -2.468  -1.962  -5.057
   17    H    GLU   3           H        GLU   3   2.052  -1.562  -4.808
   18    HA   GLU   3           HA       GLU   3   1.960  -0.458  -7.437
   19    HB2  GLU   3           HB2      GLU   3   4.334  -0.990  -7.471
   20    HB3  GLU   3           HB3      GLU   3   3.855  -0.149  -6.023
   21    HG2  GLU   3           HG2      GLU   3   3.987  -2.254  -4.727
   22    HG3  GLU   3           HG3      GLU   3   4.291  -3.163  -6.205
   23    H    TYR   4           H        TYR   4   3.227  -1.655  -9.187
   24    HA   TYR   4           HA       TYR   4   1.540  -3.811 -10.086
   25    HD1  TYR   4           HD1      TYR   4   0.790  -3.773 -12.600
   26    HD2  TYR   4           HD2      TYR   4   5.021  -4.610 -12.545
   27    HE1  TYR   4           HE1      TYR   4   0.472  -5.455 -14.388
   28    HE2  TYR   4           HE2      TYR   4   4.716  -6.297 -14.331
   29    HH   TYR   4           HH       TYR   4   1.498  -7.009 -15.786
   30    HB2  TYR   4           HB2      TYR   4   2.558  -2.152 -11.611
   31    HB3  TYR   4           HB3      TYR   4   4.159  -2.791 -11.249
   32    H    HIS   5           H        HIS   5   1.773  -5.956  -9.870
   33    HA   HIS   5           HA       HIS   5   3.614  -7.065  -8.049
   34    HD1  HIS   5           HD1      HIS   5   1.501 -10.969  -9.938
   35    HD2  HIS   5           HD2      HIS   5   1.764  -7.179 -11.790
   36    HE1  HIS   5           HE1      HIS   5   0.782 -11.288 -12.376
   37    HE2  HIS   5           HE2      HIS   5   0.922  -8.971 -13.483
   38    HB2  HIS   5           HB2      HIS   5   2.573  -9.119  -8.444
   39    HB3  HIS   5           HB3      HIS   5   1.309  -7.918  -8.582
   40    H    ALA   6           H        ALA   6   5.067  -8.936  -8.478
   41    HA   ALA   6           HA       ALA   6   6.935  -8.425 -10.677
   42    HB1  ALA   6           HB3      ALA   6   8.234 -10.250  -9.647
   43    HB2  ALA   6           HB1      ALA   6   7.818  -8.997  -8.462
   44    HB3  ALA   6           HB2      ALA   6   6.930 -10.541  -8.477
   45    H    HIS   7           H        HIS   7   5.378  -8.766 -12.353
   46    HA   HIS   7           HA       HIS   7   4.013 -11.081 -12.982
   47    HD1  HIS   7           HD1      HIS   7   2.222 -10.733 -15.931
   48    HD2  HIS   7           HD2      HIS   7   6.372 -10.425 -16.670
   49    HE1  HIS   7           HE1      HIS   7   2.631 -11.767 -18.240
   50    HE2  HIS   7           HE2      HIS   7   5.154 -11.575 -18.688
   51    HB2  HIS   7           HB2      HIS   7   3.636  -9.182 -14.246
   52    HB3  HIS   7           HB3      HIS   7   5.342  -8.949 -14.653
   53    HA   PRO   8           HA       PRO   8   7.282 -14.076 -13.382
   54    HB2  PRO   8           HB2      PRO   8   5.977 -16.113 -14.568
   55    HB3  PRO   8           HB3      PRO   8   5.660 -15.603 -12.884
   56    HG2  PRO   8           HG2      PRO   8   4.119 -14.868 -15.401
   57    HG3  PRO   8           HG3      PRO   8   3.460 -15.452 -13.836
   58    HD2  PRO   8           HD2      PRO   8   3.572 -12.797 -14.457
   59    HD3  PRO   8           HD3      PRO   8   3.869 -13.375 -12.785
   60    H    LYS   9           H        LYS   9   8.597 -15.256 -14.912
   61    HA   LYS   9           HA       LYS   9   8.918 -13.888 -17.455
   62    HB2  LYS   9           HB2      LYS   9  10.799 -14.745 -15.957
   63    HB3  LYS   9           HB3      LYS   9  10.307 -16.375 -16.376
   64    HG2  LYS   9           HG2      LYS   9  12.139 -15.888 -17.787
   65    HG3  LYS   9           HG3      LYS   9  10.722 -15.790 -18.820
   66    HD2  LYS   9           HD2      LYS   9  12.212 -13.995 -19.384
   67    HD3  LYS   9           HD3      LYS   9  10.795 -13.274 -18.613
   68    HE2  LYS   9           HE2      LYS   9  12.041 -13.090 -16.472
   69    HE3  LYS   9           HE3      LYS   9  13.442 -13.876 -17.213
   70    HZ1  LYS   9           HZ3      LYS   9  13.684 -11.487 -17.174
   71    HZ2  LYS   9           HZ1      LYS   9  12.318 -11.266 -18.040
   72    HZ3  LYS   9           HZ2      LYS   9  13.618 -11.995 -18.724
   73    HA   HYP  10           HA       HYP  10   6.041 -16.809 -19.298
   74    HG   HYP  10           HG       HYP  10   8.160 -14.838 -21.829
   75    HB2  HYP  10           HB2      HYP  10   6.102 -16.060 -21.917
   76    HB3  HYP  10           HB3      HYP  10   5.370 -15.045 -20.634
   77   HD22  HYP  10          HD3       HYP  10   7.402 -13.469 -19.249
   78   HD23  HYP  10          HD2       HYP  10   8.997 -14.052 -19.818
   79    HD1  HYP  10           HOD      HYP  10   6.622 -13.385 -22.610
   80    H    ASN  11           H        ASN  11   9.431 -16.744 -20.027
   81    HA   ASN  11           HA       ASN  11   9.746 -18.635 -22.016
   82    HB2  ASN  11           HB2      ASN  11  11.578 -17.292 -21.095
   83    HB3  ASN  11           HB3      ASN  11  11.450 -18.128 -19.543
   84   HD21  ASN  11          1HD2      ASN  11  12.688 -20.006 -19.253
   85   HD22  ASN  11          2HD2      ASN  11  13.514 -20.836 -20.549
   86    H    SER  12           H        SER  12   8.996 -19.198 -18.564
   87    HA   SER  12           HA       SER  12   9.642 -21.924 -18.480
   88    HG   SER  12           HG       SER  12   9.299 -19.843 -15.500
   89    HB2  SER  12           HB2      SER  12   7.518 -20.515 -16.825
   90    HB3  SER  12           HB3      SER  12   8.564 -21.862 -16.339
   91    H    PHE  13           H        PHE  13   7.014 -20.512 -20.191
   92    HA   PHE  13           HA       PHE  13   5.103 -22.587 -20.144
   93    HD1  PHE  13           HD2      PHE  13   2.630 -21.752 -21.221
   94    HD2  PHE  13           HD1      PHE  13   5.555 -21.890 -24.391
   95    HE1  PHE  13           HE2      PHE  13   0.930 -22.709 -22.756
   96    HE2  PHE  13           HE1      PHE  13   3.853 -22.846 -25.919
   97    HZ   PHE  13           HZ       PHE  13   1.537 -23.258 -25.106
   98    HB2  PHE  13           HB2      PHE  13   4.798 -20.369 -21.181
   99    HB3  PHE  13           HB3      PHE  13   6.050 -20.726 -22.362
  100    H    TRP  14           H        TRP  14   8.349 -22.394 -21.541
  101    HA   TRP  14           HA       TRP  14   7.854 -24.611 -23.398
  102    HD1  TRP  14           HD1      TRP  14  11.310 -25.392 -24.694
  103    HE1  TRP  14           HE1      TRP  14  11.082 -25.757 -27.209
  104    HE3  TRP  14           HE3      TRP  14   7.706 -21.890 -25.678
  105    HZ2  TRP  14           HZ2      TRP  14   9.512 -24.665 -29.400
  106    HZ3  TRP  14           HZ3      TRP  14   6.859 -21.577 -27.986
  107    HH2  TRP  14           HH2      TRP  14   7.753 -22.956 -29.852
  108    HB2  TRP  14           HB2      TRP  14   9.281 -22.327 -23.662
  109    HB3  TRP  14           HB3      TRP  14  10.561 -23.359 -23.056
  110    H    THR  15           H        THR  15   8.682 -24.420 -20.179
  111    HA   THR  15           HA       THR  15  10.777 -26.426 -20.047
  112    HB   THR  15           HB       THR  15   8.925 -25.382 -17.867
  113    HG1  THR  15           HG1      THR  15  11.478 -24.417 -18.702
  114   HG21  THR  15          3HG2      THR  15  10.165 -27.374 -17.157
  115   HG22  THR  15          1HG2      THR  15  10.799 -25.939 -16.342
  116   HG23  THR  15          2HG2      THR  15  11.694 -26.656 -17.704
  Start of MODEL    9
    1    HA   ASP   1           HA       ASP   1  -1.559  -0.711  -0.557
    2    H1   ASP   1           H1       ASP   1   1.113  -1.144   0.574
    3    H2   ASP   1           H2       ASP   1  -0.213  -2.046   0.879
    4    H3   ASP   1           H3       ASP   1  -0.158  -0.484   1.386
    5    HB2  ASP   1           HB2      ASP   1  -0.424   1.427  -0.235
    6    HB3  ASP   1           HB3      ASP   1   1.030   0.812  -1.038
    7    H    TRP   2           H        TRP   2  -1.913  -1.627  -2.580
    8    HA   TRP   2           HA       TRP   2  -0.059  -3.736  -3.397
    9    HD1  TRP   2           HD1      TRP   2  -2.856  -3.610  -6.948
   10    HE1  TRP   2           HE1      TRP   2  -2.253  -5.692  -8.292
   11    HE3  TRP   2           HE3      TRP   2  -0.456  -6.259  -3.275
   12    HZ2  TRP   2           HZ2      TRP   2  -0.890  -8.220  -7.833
   13    HZ3  TRP   2           HZ3      TRP   2   0.494  -8.494  -3.765
   14    HH2  TRP   2           HH2      TRP   2   0.278  -9.482  -6.040
   15    HB2  TRP   2           HB2      TRP   2  -2.480  -4.120  -3.349
   16    HB3  TRP   2           HB3      TRP   2  -2.731  -2.838  -4.528
   17    H    GLU   3           H        GLU   3   1.773  -2.496  -3.965
   18    HA   GLU   3           HA       GLU   3   1.826  -0.679  -6.181
   19    HB2  GLU   3           HB2      GLU   3   4.235  -1.061  -6.065
   20    HB3  GLU   3           HB3      GLU   3   3.548  -0.691  -4.510
   21    HG2  GLU   3           HG2      GLU   3   3.643  -3.124  -3.900
   22    HG3  GLU   3           HG3      GLU   3   4.336  -3.476  -5.484
   23    H    TYR   4           H        TYR   4   3.458  -1.396  -7.995
   24    HA   TYR   4           HA       TYR   4   2.030  -3.317  -9.624
   25    HD1  TYR   4           HD1      TYR   4   1.771  -2.925 -12.214
   26    HD2  TYR   4           HD2      TYR   4   5.987  -3.413 -11.440
   27    HE1  TYR   4           HE1      TYR   4   1.979  -4.301 -14.262
   28    HE2  TYR   4           HE2      TYR   4   6.209  -4.786 -13.490
   29    HH   TYR   4           HH       TYR   4   3.410  -5.525 -15.631
   30    HB2  TYR   4           HB2      TYR   4   3.121  -1.376 -10.627
   31    HB3  TYR   4           HB3      TYR   4   4.699  -1.933 -10.074
   32    H    HIS   5           H        HIS   5   2.137  -5.441  -9.292
   33    HA   HIS   5           HA       HIS   5   4.110  -6.736  -7.755
   34    HD1  HIS   5           HD1      HIS   5   1.166 -10.223  -9.549
   35    HD2  HIS   5           HD2      HIS   5   2.172  -6.541 -11.371
   36    HE1  HIS   5           HE1      HIS   5   0.190 -10.279 -11.916
   37    HE2  HIS   5           HE2      HIS   5   0.790  -8.029 -13.004
   38    HB2  HIS   5           HB2      HIS   5   2.979  -8.744  -8.243
   39    HB3  HIS   5           HB3      HIS   5   1.778  -7.486  -8.039
   40    H    ALA   6           H        ALA   6   5.544  -8.474  -8.397
   41    HA   ALA   6           HA       ALA   6   7.110  -7.884 -10.816
   42    HB1  ALA   6           HB3      ALA   6   8.637  -9.607  -9.927
   43    HB2  ALA   6           HB1      ALA   6   8.307  -8.344  -8.726
   44    HB3  ALA   6           HB2      ALA   6   7.516  -9.934  -8.590
   45    H    HIS   7           H        HIS   7   5.401  -8.361 -12.289
   46    HA   HIS   7           HA       HIS   7   4.068 -10.751 -12.656
   47    HD1  HIS   7           HD1      HIS   7   1.908 -10.613 -15.342
   48    HD2  HIS   7           HD2      HIS   7   5.914 -10.218 -16.631
   49    HE1  HIS   7           HE1      HIS   7   2.060 -11.774 -17.622
   50    HE2  HIS   7           HE2      HIS   7   4.496 -11.531 -18.403
   51    HB2  HIS   7           HB2      HIS   7   3.462  -8.922 -13.939
   52    HB3  HIS   7           HB3      HIS   7   5.093  -8.656 -14.572
   53    HA   PRO   8           HA       PRO   8   7.378 -13.642 -13.294
   54    HB2  PRO   8           HB2      PRO   8   6.038 -15.773 -14.259
   55    HB3  PRO   8           HB3      PRO   8   5.876 -15.202 -12.572
   56    HG2  PRO   8           HG2      PRO   8   4.059 -14.624 -14.942
   57    HG3  PRO   8           HG3      PRO   8   3.588 -15.168 -13.296
   58    HD2  PRO   8           HD2      PRO   8   3.529 -12.541 -14.012
   59    HD3  PRO   8           HD3      PRO   8   4.037 -13.038 -12.366
   60    H    LYS   9           H        LYS   9   8.578 -14.857 -14.893
   61    HA   LYS   9           HA       LYS   9   8.652 -13.571 -17.486
   62    HB2  LYS   9           HB2      LYS   9  10.660 -14.377 -16.139
   63    HB3  LYS   9           HB3      LYS   9  10.145 -16.025 -16.470
   64    HG2  LYS   9           HG2      LYS   9  11.845 -15.572 -18.035
   65    HG3  LYS   9           HG3      LYS   9  10.355 -15.456 -18.971
   66    HD2  LYS   9           HD2      LYS   9  10.458 -12.950 -18.762
   67    HD3  LYS   9           HD3      LYS   9  11.952 -13.118 -17.819
   68    HE2  LYS   9           HE2      LYS   9  13.033 -14.263 -19.748
   69    HE3  LYS   9           HE3      LYS   9  11.550 -14.072 -20.694
   70    HZ1  LYS   9           HZ3      LYS   9  13.153 -12.353 -21.200
   71    HZ2  LYS   9           HZ1      LYS   9  13.207 -11.853 -19.647
   72    HZ3  LYS   9           HZ2      LYS   9  11.833 -11.670 -20.523
   73    HA   HYP  10           HA       HYP  10   5.671 -16.550 -19.039
   74    HG   HYP  10           HG       HYP  10   7.574 -14.651 -21.775
   75    HB2  HYP  10           HB2      HYP  10   5.512 -15.853 -21.666
   76    HB3  HYP  10           HB3      HYP  10   4.894 -14.805 -20.350
   77   HD22  HYP  10          HD3       HYP  10   7.023 -13.205 -19.178
   78   HD23  HYP  10          HD2       HYP  10   8.572 -13.802 -19.852
   79    HD1  HYP  10           HOD      HYP  10   7.016 -12.471 -21.855
   80    H    ASN  11           H        ASN  11   8.994 -16.511 -20.009
   81    HA   ASN  11           HA       ASN  11   9.139 -18.385 -22.034
   82    HB2  ASN  11           HB2      ASN  11  11.041 -17.045 -21.264
   83    HB3  ASN  11           HB3      ASN  11  11.052 -17.896 -19.715
   84   HD21  ASN  11          1HD2      ASN  11  12.356 -19.742 -19.559
   85   HD22  ASN  11          2HD2      ASN  11  13.047 -20.570 -20.933
   86    H    SER  12           H        SER  12   8.679 -18.979 -18.541
   87    HA   SER  12           HA       SER  12   9.315 -21.719 -18.539
   88    HG   SER  12           HG       SER  12  10.201 -20.313 -16.418
   89    HB2  SER  12           HB2      SER  12   7.361 -20.272 -16.707
   90    HB3  SER  12           HB3      SER  12   8.389 -21.657 -16.303
   91    H    PHE  13           H        PHE  13   6.573 -20.260 -20.014
   92    HA   PHE  13           HA       PHE  13   4.648 -22.314 -19.793
   93    HD1  PHE  13           HD1      PHE  13   2.106 -21.443 -20.555
   94    HD2  PHE  13           HD2      PHE  13   4.620 -21.571 -24.061
   95    HE1  PHE  13           HE1      PHE  13   0.218 -22.358 -21.882
   96    HE2  PHE  13           HE2      PHE  13   2.729 -22.484 -25.380
   97    HZ   PHE  13           HZ       PHE  13   0.525 -22.880 -24.295
   98    HB2  PHE  13           HB2      PHE  13   4.277 -20.075 -20.776
   99    HB3  PHE  13           HB3      PHE  13   5.382 -20.453 -22.090
  100    H    TRP  14           H        TRP  14   7.755 -22.163 -21.472
  101    HA   TRP  14           HA       TRP  14   7.078 -24.334 -23.314
  102    HD1  TRP  14           HD1      TRP  14   7.635 -23.629 -26.070
  103    HE1  TRP  14           HE1      TRP  14   8.999 -24.978 -27.751
  104    HE3  TRP  14           HE3      TRP  14  11.816 -24.454 -23.223
  105    HZ2  TRP  14           HZ2      TRP  14  11.598 -26.268 -27.858
  106    HZ3  TRP  14           HZ3      TRP  14  13.719 -25.748 -24.143
  107    HH2  TRP  14           HH2      TRP  14  13.622 -26.658 -26.456
  108    HB2  TRP  14           HB2      TRP  14   8.438 -22.228 -23.861
  109    HB3  TRP  14           HB3      TRP  14   9.743 -22.934 -22.918
  110    H    THR  15           H        THR  15   8.113 -24.232 -20.132
  111    HA   THR  15           HA       THR  15  10.075 -26.358 -20.143
  112    HB   THR  15           HB       THR  15   8.369 -25.329 -17.839
  113    HG1  THR  15           HG1      THR  15  10.161 -23.951 -17.464
  114   HG21  THR  15          3HG2      THR  15  10.282 -26.074 -16.443
  115   HG22  THR  15          1HG2      THR  15  11.095 -26.715 -17.891
  116   HG23  THR  15          2HG2      THR  15   9.569 -27.428 -17.326
  Start of MODEL   10
    1    HA   ASP   1           HA       ASP   1   1.110   0.282  -0.199
    2    H1   ASP   1           H1       ASP   1   3.858  -0.700  -0.456
    3    H2   ASP   1           H2       ASP   1   2.745  -1.187   0.636
    4    H3   ASP   1           H3       ASP   1   3.352   0.347   0.712
    5    HB2  ASP   1           HB2      ASP   1   3.338   1.248  -2.033
    6    HB3  ASP   1           HB3      ASP   1   1.626   1.599  -2.288
    7    H    TRP   2           H        TRP   2  -0.189  -0.188  -2.151
    8    HA   TRP   2           HA       TRP   2   0.298  -2.910  -3.095
    9    HD1  TRP   2           HD1      TRP   2  -3.011  -1.951  -5.841
   10    HE1  TRP   2           HE1      TRP   2  -3.813  -4.229  -6.666
   11    HE3  TRP   2           HE3      TRP   2  -1.263  -4.848  -1.994
   12    HZ2  TRP   2           HZ2      TRP   2  -3.701  -6.995  -5.769
   13    HZ3  TRP   2           HZ3      TRP   2  -1.622  -7.300  -2.011
   14    HH2  TRP   2           HH2      TRP   2  -2.840  -8.380  -3.895
   15    HB2  TRP   2           HB2      TRP   2  -1.918  -2.095  -2.310
   16    HB3  TRP   2           HB3      TRP   2  -1.989  -0.995  -3.680
   17    H    GLU   3           H        GLU   3   2.373  -2.143  -4.123
   18    HA   GLU   3           HA       GLU   3   2.273  -0.710  -6.612
   19    HB2  GLU   3           HB2      GLU   3   4.598  -1.421  -6.781
   20    HB3  GLU   3           HB3      GLU   3   4.230  -0.709  -5.235
   21    HG2  GLU   3           HG2      GLU   3   4.131  -3.010  -4.222
   22    HG3  GLU   3           HG3      GLU   3   4.530  -3.693  -5.798
   23    H    TYR   4           H        TYR   4   3.424  -1.900  -8.488
   24    HA   TYR   4           HA       TYR   4   1.530  -3.842  -9.508
   25    HD1  TYR   4           HD2      TYR   4   0.769  -3.630 -12.040
   26    HD2  TYR   4           HD1      TYR   4   4.967  -4.621 -12.066
   27    HE1  TYR   4           HE2      TYR   4   0.393  -5.138 -13.966
   28    HE2  TYR   4           HE1      TYR   4   4.604  -6.136 -13.990
   29    HH   TYR   4           HH       TYR   4   1.373  -6.588 -15.512
   30    HB2  TYR   4           HB2      TYR   4   2.600  -2.150 -10.944
   31    HB3  TYR   4           HB3      TYR   4   4.178  -2.869 -10.647
   32    H    HIS   5           H        HIS   5   1.620  -6.012  -9.398
   33    HA   HIS   5           HA       HIS   5   3.437  -7.401  -7.781
   34    HD1  HIS   5           HD1      HIS   5   2.445  -7.455 -11.677
   35    HD2  HIS   5           HD2      HIS   5  -0.414  -9.894  -9.740
   36    HE1  HIS   5           HE1      HIS   5   0.746  -8.166 -13.467
   37    HE2  HIS   5           HE2      HIS   5  -0.977  -9.661 -12.287
   38    HB2  HIS   5           HB2      HIS   5   2.319  -9.399  -8.606
   39    HB3  HIS   5           HB3      HIS   5   1.179  -8.121  -8.209
   40    H    ALA   6           H        ALA   6   4.955  -9.094  -8.330
   41    HA   ALA   6           HA       ALA   6   6.713  -8.468 -10.583
   42    HB1  ALA   6           HB3      ALA   6   8.110 -10.276  -9.663
   43    HB2  ALA   6           HB1      ALA   6   7.697  -9.075  -8.424
   44    HB3  ALA   6           HB2      ALA   6   6.864 -10.650  -8.456
   45    H    HIS   7           H        HIS   7   5.160  -8.810 -12.221
   46    HA   HIS   7           HA       HIS   7   3.787 -11.120 -12.857
   47    HD1  HIS   7           HD1      HIS   7   1.812 -10.610 -15.690
   48    HD2  HIS   7           HD2      HIS   7   5.934 -10.429 -16.607
   49    HE1  HIS   7           HE1      HIS   7   2.084 -11.621 -18.030
   50    HE2  HIS   7           HE2      HIS   7   4.591 -11.510 -18.584
   51    HB2  HIS   7           HB2      HIS   7   3.335  -9.170 -14.033
   52    HB3  HIS   7           HB3      HIS   7   5.016  -8.926 -14.531
   53    HA   PRO   8           HA       PRO   8   7.029 -14.080 -13.481
   54    HB2  PRO   8           HB2      PRO   8   5.702 -16.073 -14.718
   55    HB3  PRO   8           HB3      PRO   8   5.410 -15.621 -13.012
   56    HG2  PRO   8           HG2      PRO   8   3.836 -14.789 -15.478
   57    HG3  PRO   8           HG3      PRO   8   3.199 -15.438 -13.929
   58    HD2  PRO   8           HD2      PRO   8   3.298 -12.764 -14.432
   59    HD3  PRO   8           HD3      PRO   8   3.640 -13.407 -12.794
   60    H    LYS   9           H        LYS   9   8.303 -15.239 -15.070
   61    HA   LYS   9           HA       LYS   9   8.634 -13.789 -17.566
   62    HB2  LYS   9           HB2      LYS   9  10.494 -14.765 -16.075
   63    HB3  LYS   9           HB3      LYS   9   9.969 -16.350 -16.593
   64    HG2  LYS   9           HG2      LYS   9  11.836 -15.816 -17.944
   65    HG3  LYS   9           HG3      LYS   9  10.431 -15.667 -18.980
   66    HD2  LYS   9           HD2      LYS   9  11.843 -13.888 -19.539
   67    HD3  LYS   9           HD3      LYS   9  10.552 -13.123 -18.634
   68    HE2  LYS   9           HE2      LYS   9  13.191 -13.960 -17.342
   69    HE3  LYS   9           HE3      LYS   9  13.026 -12.438 -18.215
   70    HZ1  LYS   9           HZ3      LYS   9  11.300 -11.772 -16.674
   71    HZ2  LYS   9           HZ1      LYS   9  12.690 -12.104 -15.887
   72    HZ3  LYS   9           HZ2      LYS   9  11.458 -13.170 -15.824
   73    HA   HYP  10           HA       HYP  10   5.731 -16.583 -19.557
   74    HG   HYP  10           HG       HYP  10   8.092 -14.794 -21.962
   75    HB2  HYP  10           HB2      HYP  10   5.970 -15.874 -22.178
   76    HB3  HYP  10           HB3      HYP  10   5.223 -14.802 -20.951
   77   HD22  HYP  10          HD3       HYP  10   7.224 -13.313 -19.471
   78   HD23  HYP  10          HD2       HYP  10   8.831 -13.955 -19.932
   79    HD1  HYP  10           HOD      HYP  10   6.171 -12.740 -21.465
   80    H    ASN  11           H        ASN  11   9.161 -16.617 -20.234
   81    HA   ASN  11           HA       ASN  11   9.403 -18.561 -22.183
   82    HB2  ASN  11           HB2      ASN  11  11.272 -17.209 -21.354
   83    HB3  ASN  11           HB3      ASN  11  11.184 -18.004 -19.776
   84   HD21  ASN  11          1HD2      ASN  11  11.724 -18.723 -23.295
   85   HD22  ASN  11          2HD2      ASN  11  12.795 -20.073 -23.006
   86    H    SER  12           H        SER  12   8.732 -19.028 -18.701
   87    HA   SER  12           HA       SER  12   9.382 -21.747 -18.566
   88    HG   SER  12           HG       SER  12   9.080 -19.587 -15.627
   89    HB2  SER  12           HB2      SER  12   7.280 -20.319 -16.897
   90    HB3  SER  12           HB3      SER  12   8.360 -21.634 -16.400
   91    H    PHE  13           H        PHE  13   6.692 -20.371 -20.215
   92    HA   PHE  13           HA       PHE  13   4.798 -22.462 -20.052
   93    HD1  PHE  13           HD1      PHE  13   2.268 -21.639 -20.936
   94    HD2  PHE  13           HD2      PHE  13   4.943 -21.751 -24.321
   95    HE1  PHE  13           HE1      PHE  13   0.459 -22.597 -22.340
   96    HE2  PHE  13           HE2      PHE  13   3.132 -22.707 -25.718
   97    HZ   PHE  13           HZ       PHE  13   0.887 -23.134 -24.732
   98    HB2  PHE  13           HB2      PHE  13   4.423 -20.237 -21.066
   99    HB3  PHE  13           HB3      PHE  13   5.591 -20.600 -22.329
  100    H    TRP  14           H        TRP  14   7.971 -22.267 -21.584
  101    HA   TRP  14           HA       TRP  14   7.387 -24.508 -23.414
  102    HD1  TRP  14           HD1      TRP  14   7.656 -24.216 -26.051
  103    HE1  TRP  14           HE1      TRP  14   9.117 -25.341 -27.812
  104    HE3  TRP  14           HE3      TRP  14  12.226 -23.590 -23.813
  105    HZ2  TRP  14           HZ2      TRP  14  11.938 -25.896 -28.220
  106    HZ3  TRP  14           HZ3      TRP  14  14.281 -24.420 -24.919
  107    HH2  TRP  14           HH2      TRP  14  14.152 -25.572 -27.119
  108    HB2  TRP  14           HB2      TRP  14   8.474 -22.296 -24.109
  109    HB3  TRP  14           HB3      TRP  14   9.894 -22.808 -23.207
  110    H    THR  15           H        THR  15   8.459 -24.230 -20.284
  111    HA   THR  15           HA       THR  15  10.645 -26.138 -20.278
  112    HB   THR  15           HB       THR  15   8.846 -25.214 -18.002
  113    HG1  THR  15           HG1      THR  15  11.310 -24.119 -18.936
  114   HG21  THR  15          3HG2      THR  15  10.207 -27.155 -17.377
  115   HG22  THR  15          1HG2      THR  15  10.811 -25.702 -16.569
  116   HG23  THR  15          2HG2      THR  15  11.676 -26.359 -17.980
  Start of MODEL   11
    1    HA   ASP   1           HA       ASP   1  -0.003   0.819  -1.575
    2    H1   ASP   1           H1       ASP   1  -0.499  -1.386   0.279
    3    H2   ASP   1           H2       ASP   1  -1.656  -0.736  -0.694
    4    H3   ASP   1           H3       ASP   1  -0.952   0.180   0.476
    5    HB2  ASP   1           HB2      ASP   1   2.356   0.387  -1.175
    6    HB3  ASP   1           HB3      ASP   1   1.522   0.818   0.312
    7    H    TRP   2           H        TRP   2  -1.334  -0.329  -3.146
    8    HA   TRP   2           HA       TRP   2  -0.508  -3.003  -3.989
    9    HD1  TRP   2           HD1      TRP   2  -4.326  -0.708  -3.133
   10    HE1  TRP   2           HE1      TRP   2  -5.458  -2.050  -1.282
   11    HE3  TRP   2           HE3      TRP   2  -1.879  -5.167  -3.772
   12    HZ2  TRP   2           HZ2      TRP   2  -5.313  -4.743  -0.189
   13    HZ3  TRP   2           HZ3      TRP   2  -2.399  -7.098  -2.310
   14    HH2  TRP   2           HH2      TRP   2  -4.116  -6.893  -0.517
   15    HB2  TRP   2           HB2      TRP   2  -2.680  -1.152  -5.034
   16    HB3  TRP   2           HB3      TRP   2  -2.458  -2.845  -5.453
   17    H    GLU   3           H        GLU   3   1.732  -1.931  -4.450
   18    HA   GLU   3           HA       GLU   3   2.082  -0.549  -6.931
   19    HB2  GLU   3           HB2      GLU   3   4.430  -1.167  -6.619
   20    HB3  GLU   3           HB3      GLU   3   3.718  -0.418  -5.215
   21    HG2  GLU   3           HG2      GLU   3   3.573  -2.614  -4.080
   22    HG3  GLU   3           HG3      GLU   3   4.147  -3.422  -5.540
   23    H    TYR   4           H        TYR   4   3.571  -1.591  -8.576
   24    HA   TYR   4           HA       TYR   4   2.043  -3.685  -9.880
   25    HD1  TYR   4           HD1      TYR   4   1.625  -3.727 -12.385
   26    HD2  TYR   4           HD2      TYR   4   5.923  -3.852 -12.017
   27    HE1  TYR   4           HE1      TYR   4   1.737  -5.285 -14.305
   28    HE2  TYR   4           HE2      TYR   4   6.047  -5.406 -13.941
   29    HH   TYR   4           HH       TYR   4   3.117  -6.526 -15.709
   30    HB2  TYR   4           HB2      TYR   4   3.081  -1.879 -11.162
   31    HB3  TYR   4           HB3      TYR   4   4.683  -2.381 -10.632
   32    H    HIS   5           H        HIS   5   2.234  -5.797  -9.510
   33    HA   HIS   5           HA       HIS   5   4.207  -6.967  -7.863
   34    HD1  HIS   5           HD1      HIS   5   1.387 -10.587  -9.614
   35    HD2  HIS   5           HD2      HIS   5   2.389  -6.960 -11.543
   36    HE1  HIS   5           HE1      HIS   5   0.472 -10.743 -12.001
   37    HE2  HIS   5           HE2      HIS   5   1.062  -8.522 -13.152
   38    HB2  HIS   5           HB2      HIS   5   3.154  -9.029  -8.320
   39    HB3  HIS   5           HB3      HIS   5   1.904  -7.809  -8.188
   40    H    ALA   6           H        ALA   6   5.689  -8.728  -8.445
   41    HA   ALA   6           HA       ALA   6   7.312  -8.138 -10.822
   42    HB1  ALA   6           HB3      ALA   6   8.450  -8.625  -8.706
   43    HB2  ALA   6           HB1      ALA   6   7.651 -10.215  -8.611
   44    HB3  ALA   6           HB2      ALA   6   8.807  -9.874  -9.915
   45    H    HIS   7           H        HIS   7   5.615  -8.588 -12.328
   46    HA   HIS   7           HA       HIS   7   4.292 -10.970 -12.757
   47    HD1  HIS   7           HD1      HIS   7   2.203 -10.824 -15.493
   48    HD2  HIS   7           HD2      HIS   7   6.210 -10.241 -16.701
   49    HE1  HIS   7           HE1      HIS   7   2.420 -11.862 -17.827
   50    HE2  HIS   7           HE2      HIS   7   4.856 -11.504 -18.560
   51    HB2  HIS   7           HB2      HIS   7   3.692  -9.123 -14.009
   52    HB3  HIS   7           HB3      HIS   7   5.332  -8.818 -14.596
   53    HA   PRO   8           HA       PRO   8   7.625 -13.838 -13.479
   54    HB2  PRO   8           HB2      PRO   8   6.277 -15.957 -14.454
   55    HB3  PRO   8           HB3      PRO   8   6.137 -15.414 -12.756
   56    HG2  PRO   8           HG2      PRO   8   4.284 -14.808 -15.092
   57    HG3  PRO   8           HG3      PRO   8   3.837 -15.380 -13.449
   58    HD2  PRO   8           HD2      PRO   8   3.760 -12.739 -14.131
   59    HD3  PRO   8           HD3      PRO   8   4.274 -13.263 -12.494
   60    H    LYS   9           H        LYS   9   8.789 -15.015 -15.134
   61    HA   LYS   9           HA       LYS   9   8.757 -13.704 -17.724
   62    HB2  LYS   9           HB2      LYS   9  10.829 -14.478 -16.456
   63    HB3  LYS   9           HB3      LYS   9  10.331 -16.134 -16.773
   64    HG2  LYS   9           HG2      LYS   9  11.961 -15.646 -18.401
   65    HG3  LYS   9           HG3      LYS   9  10.434 -15.552 -19.279
   66    HD2  LYS   9           HD2      LYS   9  10.502 -13.045 -19.059
   67    HD3  LYS   9           HD3      LYS   9  12.038 -13.192 -18.181
   68    HE2  LYS   9           HE2      LYS   9  13.054 -14.310 -20.161
   69    HE3  LYS   9           HE3      LYS   9  11.528 -14.141 -21.042
   70    HZ1  LYS   9           HZ3      LYS   9  13.190 -11.898 -20.057
   71    HZ2  LYS   9           HZ1      LYS   9  11.777 -11.736 -20.872
   72    HZ3  LYS   9           HZ2      LYS   9  13.079 -12.393 -21.608
   73    HA   HYP  10           HA       HYP  10   5.768 -16.726 -19.172
   74    HG   HYP  10           HG       HYP  10   7.573 -14.830 -21.975
   75    HB2  HYP  10           HB2      HYP  10   5.528 -16.053 -21.800
   76    HB3  HYP  10           HB3      HYP  10   4.935 -15.002 -20.475
   77   HD22  HYP  10          HD3       HYP  10   7.074 -13.369 -19.375
   78   HD23  HYP  10          HD2       HYP  10   8.612 -13.951 -20.087
   79    HD1  HYP  10           HOD      HYP  10   6.988 -12.659 -22.062
   80    H    ASN  11           H        ASN  11   9.062 -16.671 -20.208
   81    HA   ASN  11           HA       ASN  11   9.194 -18.559 -22.221
   82    HB2  ASN  11           HB2      ASN  11  11.101 -17.210 -21.495
   83    HB3  ASN  11           HB3      ASN  11  11.124 -18.027 -19.925
   84   HD21  ASN  11          1HD2      ASN  11  11.461 -18.680 -23.481
   85   HD22  ASN  11          2HD2      ASN  11  12.554 -20.028 -23.280
   86    H    SER  12           H        SER  12   8.752 -19.141 -18.718
   87    HA   SER  12           HA       SER  12   9.436 -21.853 -18.684
   88    HG   SER  12           HG       SER  12   9.179 -19.803 -15.674
   89    HB2  SER  12           HB2      SER  12   7.356 -20.491 -16.930
   90    HB3  SER  12           HB3      SER  12   8.436 -21.828 -16.496
   91    H    PHE  13           H        PHE  13   6.612 -20.444 -20.138
   92    HA   PHE  13           HA       PHE  13   4.788 -22.591 -19.956
   93    HD1  PHE  13           HD1      PHE  13   2.213 -21.822 -20.450
   94    HD2  PHE  13           HD2      PHE  13   4.397 -21.512 -24.161
   95    HE1  PHE  13           HE1      PHE  13   0.252 -22.710 -21.684
   96    HE2  PHE  13           HE2      PHE  13   2.433 -22.399 -25.387
   97    HZ   PHE  13           HZ       PHE  13   0.357 -23.001 -24.154
   98    HB2  PHE  13           HB2      PHE  13   4.288 -20.302 -20.764
   99    HB3  PHE  13           HB3      PHE  13   5.312 -20.569 -22.168
  100    H    TRP  14           H        TRP  14   7.850 -22.328 -21.615
  101    HA   TRP  14           HA       TRP  14   7.256 -24.308 -23.672
  102    HD1  TRP  14           HD1      TRP  14   8.229 -23.608 -26.267
  103    HE1  TRP  14           HE1      TRP  14   9.810 -24.868 -27.823
  104    HE3  TRP  14           HE3      TRP  14  12.024 -24.550 -22.952
  105    HZ2  TRP  14           HZ2      TRP  14  12.419 -26.135 -27.659
  106    HZ3  TRP  14           HZ3      TRP  14  14.044 -25.783 -23.684
  107    HH2  TRP  14           HH2      TRP  14  14.254 -26.579 -26.030
  108    HB2  TRP  14           HB2      TRP  14   8.789 -22.286 -23.896
  109    HB3  TRP  14           HB3      TRP  14   9.918 -23.106 -22.827
  110    H    THR  15           H        THR  15   7.666 -24.682 -20.417
  111    HA   THR  15           HA       THR  15   8.671 -27.404 -20.587
  112    HB   THR  15           HB       THR  15  10.725 -26.142 -20.701
  113    HG1  THR  15           HG1      THR  15  10.345 -27.350 -18.187
  114   HG21  THR  15          3HG2      THR  15   9.946 -24.751 -18.113
  115   HG22  THR  15          1HG2      THR  15  10.200 -24.014 -19.707
  116   HG23  THR  15          2HG2      THR  15  11.564 -24.735 -18.849
  Start of MODEL   12
    1    HA   ASP   1           HA       ASP   1  -1.160   0.243  -1.818
    2    H1   ASP   1           H1       ASP   1  -0.584  -1.969   0.001
    3    H2   ASP   1           H2       ASP   1  -1.972  -1.841  -0.874
    4    H3   ASP   1           H3       ASP   1  -1.612  -0.719   0.273
    5    HB2  ASP   1           HB2      ASP   1   1.203   0.793  -1.619
    6    HB3  ASP   1           HB3      ASP   1   0.372   0.893  -0.071
    7    H    TRP   2           H        TRP   2  -1.840  -0.917  -3.582
    8    HA   TRP   2           HA       TRP   2  -0.407  -3.307  -4.456
    9    HD1  TRP   2           HD1      TRP   2  -4.541  -1.944  -3.702
   10    HE1  TRP   2           HE1      TRP   2  -5.552  -3.768  -2.232
   11    HE3  TRP   2           HE3      TRP   2  -1.420  -5.806  -4.968
   12    HZ2  TRP   2           HZ2      TRP   2  -5.064  -6.580  -1.662
   13    HZ3  TRP   2           HZ3      TRP   2  -1.721  -8.044  -3.948
   14    HH2  TRP   2           HH2      TRP   2  -3.541  -8.438  -2.295
   15    HB2  TRP   2           HB2      TRP   2  -2.800  -1.830  -5.610
   16    HB3  TRP   2           HB3      TRP   2  -2.166  -3.366  -6.183
   17    H    GLU   3           H        GLU   3   1.675  -2.142  -4.754
   18    HA   GLU   3           HA       GLU   3   2.071  -0.498  -7.078
   19    HB2  GLU   3           HB2      GLU   3   4.420  -1.047  -6.711
   20    HB3  GLU   3           HB3      GLU   3   3.631  -0.494  -5.260
   21    HG2  GLU   3           HG2      GLU   3   3.528  -2.809  -4.393
   22    HG3  GLU   3           HG3      GLU   3   4.193  -3.423  -5.909
   23    H    TYR   4           H        TYR   4   3.750  -1.439  -8.689
   24    HA   TYR   4           HA       TYR   4   2.408  -3.539 -10.213
   25    HD1  TYR   4           HD2      TYR   4   2.378  -3.804 -12.726
   26    HD2  TYR   4           HD1      TYR   4   6.575  -3.277 -11.868
   27    HE1  TYR   4           HE2      TYR   4   2.947  -5.380 -14.554
   28    HE2  TYR   4           HE1      TYR   4   7.154  -4.835 -13.700
   29    HH   TYR   4           HH       TYR   4   6.349  -6.204 -15.398
   30    HB2  TYR   4           HB2      TYR   4   3.429  -1.709 -11.414
   31    HB3  TYR   4           HB3      TYR   4   4.993  -2.012 -10.665
   32    H    HIS   5           H        HIS   5   2.544  -5.570  -9.474
   33    HA   HIS   5           HA       HIS   5   4.687  -6.623  -7.929
   34    HD1  HIS   5           HD1      HIS   5   2.690 -10.661  -9.296
   35    HD2  HIS   5           HD2      HIS   5   1.775  -6.932 -11.063
   36    HE1  HIS   5           HE1      HIS   5   1.450 -11.165 -11.480
   37    HE2  HIS   5           HE2      HIS   5   0.889  -8.889 -12.538
   38    HB2  HIS   5           HB2      HIS   5   3.566  -8.649  -7.960
   39    HB3  HIS   5           HB3      HIS   5   2.293  -7.452  -7.986
   40    H    ALA   6           H        ALA   6   6.021  -8.504  -8.566
   41    HA   ALA   6           HA       ALA   6   7.433  -8.049 -11.094
   42    HB1  ALA   6           HB3      ALA   6   8.729  -8.494  -9.060
   43    HB2  ALA   6           HB1      ALA   6   7.910 -10.062  -8.848
   44    HB3  ALA   6           HB2      ALA   6   8.964  -9.789 -10.251
   45    H    HIS   7           H        HIS   7   5.602  -8.510 -12.438
   46    HA   HIS   7           HA       HIS   7   4.266 -10.919 -12.722
   47    HD1  HIS   7           HD1      HIS   7   1.914 -10.737 -15.277
   48    HD2  HIS   7           HD2      HIS   7   5.845 -10.372 -16.786
   49    HE1  HIS   7           HE1      HIS   7   1.928 -11.893 -17.564
   50    HE2  HIS   7           HE2      HIS   7   4.320 -11.670 -18.478
   51    HB2  HIS   7           HB2      HIS   7   3.557  -9.079 -13.948
   52    HB3  HIS   7           HB3      HIS   7   5.141  -8.802 -14.687
   53    HA   PRO   8           HA       PRO   8   7.562 -13.755 -13.598
   54    HB2  PRO   8           HB2      PRO   8   6.198 -15.889 -14.521
   55    HB3  PRO   8           HB3      PRO   8   6.130 -15.346 -12.819
   56    HG2  PRO   8           HG2      PRO   8   4.165 -14.762 -15.066
   57    HG3  PRO   8           HG3      PRO   8   3.802 -15.331 -13.401
   58    HD2  PRO   8           HD2      PRO   8   3.666 -12.696 -14.083
   59    HD3  PRO   8           HD3      PRO   8   4.276 -13.204 -12.475
   60    H    LYS   9           H        LYS   9   8.712 -14.897 -15.261
   61    HA   LYS   9           HA       LYS   9   8.562 -13.627 -17.875
   62    HB2  LYS   9           HB2      LYS   9  10.676 -14.263 -16.521
   63    HB3  LYS   9           HB3      LYS   9  10.319 -15.929 -16.930
   64    HG2  LYS   9           HG2      LYS   9  11.972 -15.198 -18.456
   65    HG3  LYS   9           HG3      LYS   9  10.483 -15.235 -19.402
   66    HD2  LYS   9           HD2      LYS   9  10.281 -12.757 -19.190
   67    HD3  LYS   9           HD3      LYS   9  11.634 -12.740 -18.064
   68    HE2  LYS   9           HE2      LYS   9  12.490 -11.986 -20.137
   69    HE3  LYS   9           HE3      LYS   9  13.144 -13.600 -19.859
   70    HZ1  LYS   9           HZ3      LYS   9  10.886 -12.947 -21.666
   71    HZ2  LYS   9           HZ1      LYS   9  11.507 -14.454 -21.436
   72    HZ3  LYS   9           HZ2      LYS   9  12.410 -13.288 -22.129
   73    HA   HYP  10           HA       HYP  10   5.852 -16.905 -19.318
   74    HG   HYP  10           HG       HYP  10   7.867 -15.223 -22.074
   75    HB2  HYP  10           HB2      HYP  10   5.850 -16.510 -22.020
   76    HB3  HYP  10           HB3      HYP  10   5.077 -15.373 -20.870
   77   HD22  HYP  10          HD3       HYP  10   6.967 -13.544 -19.720
   78   HD23  HYP  10          HD2       HYP  10   8.614 -14.039 -20.215
   79    HD1  HYP  10           HOD      HYP  10   5.779 -13.311 -21.704
   80    H    ASN  11           H        ASN  11   9.228 -16.877 -19.929
   81    HA   ASN  11           HA       ASN  11   9.622 -18.945 -21.734
   82    HB2  ASN  11           HB2      ASN  11  11.413 -17.491 -20.927
   83    HB3  ASN  11           HB3      ASN  11  11.255 -18.150 -19.291
   84   HD21  ASN  11          1HD2      ASN  11  11.939 -19.198 -22.709
   85   HD22  ASN  11          2HD2      ASN  11  13.043 -20.472 -22.253
   86    H    SER  12           H        SER  12   8.679 -19.181 -18.289
   87    HA   SER  12           HA       SER  12   9.320 -21.893 -17.924
   88    HG   SER  12           HG       SER  12   8.690 -19.603 -15.149
   89    HB2  SER  12           HB2      SER  12   7.048 -20.363 -16.598
   90    HB3  SER  12           HB3      SER  12   8.017 -21.677 -15.910
   91    H    PHE  13           H        PHE  13   6.833 -20.626 -19.958
   92    HA   PHE  13           HA       PHE  13   4.954 -22.740 -19.864
   93    HD1  PHE  13           HD1      PHE  13   2.511 -21.995 -20.896
   94    HD2  PHE  13           HD2      PHE  13   5.348 -22.177 -24.145
   95    HE1  PHE  13           HE1      PHE  13   0.785 -23.026 -22.351
   96    HE2  PHE  13           HE2      PHE  13   3.616 -23.204 -25.594
   97    HZ   PHE  13           HZ       PHE  13   1.333 -23.631 -24.702
   98    HB2  PHE  13           HB2      PHE  13   4.646 -20.552 -20.990
   99    HB3  PHE  13           HB3      PHE  13   5.895 -20.970 -22.154
  100    H    TRP  14           H        TRP  14   8.262 -22.594 -21.033
  101    HA   TRP  14           HA       TRP  14   7.939 -24.858 -22.881
  102    HD1  TRP  14           HD1      TRP  14   8.390 -21.099 -22.821
  103    HE1  TRP  14           HE1      TRP  14   8.064 -19.973 -25.082
  104    HE3  TRP  14           HE3      TRP  14  10.584 -24.646 -25.801
  105    HZ2  TRP  14           HZ2      TRP  14   8.707 -20.517 -27.859
  106    HZ3  TRP  14           HZ3      TRP  14  10.728 -24.302 -28.249
  107    HH2  TRP  14           HH2      TRP  14   9.795 -22.245 -29.289
  108    HB2  TRP  14           HB2      TRP  14  10.345 -23.142 -22.143
  109    HB3  TRP  14           HB3      TRP  14  10.355 -24.418 -23.336
  110    H    THR  15           H        THR  15   8.362 -24.608 -19.585
  111    HA   THR  15           HA       THR  15  10.364 -26.665 -19.162
  112    HB   THR  15           HB       THR  15   8.243 -25.600 -17.253
  113    HG1  THR  15           HG1      THR  15   9.885 -24.164 -16.608
  114   HG21  THR  15          3HG2      THR  15   9.338 -27.663 -16.449
  115   HG22  THR  15          1HG2      THR  15   9.867 -26.272 -15.497
  116   HG23  THR  15          2HG2      THR  15  10.938 -26.952 -16.745
  Start of MODEL   13
    1    HA   ASP   1           HA       ASP   1  -1.834  -2.203  -1.810
    2    H1   ASP   1           H1       ASP   1   0.658  -3.351  -0.770
    3    H2   ASP   1           H2       ASP   1  -0.820  -4.040  -0.690
    4    H3   ASP   1           H3       ASP   1  -0.518  -2.662   0.153
    5    HB2  ASP   1           HB2      ASP   1  -0.340  -0.439  -0.991
    6    HB3  ASP   1           HB3      ASP   1   1.004  -1.111  -1.928
    7    H    TRP   2           H        TRP   2  -2.156  -2.441  -4.044
    8    HA   TRP   2           HA       TRP   2  -0.820  -4.721  -5.270
    9    HD1  TRP   2           HD1      TRP   2  -4.984  -3.032  -4.680
   10    HE1  TRP   2           HE1      TRP   2  -6.214  -4.840  -3.367
   11    HE3  TRP   2           HE3      TRP   2  -1.935  -7.010  -5.755
   12    HZ2  TRP   2           HZ2      TRP   2  -5.909  -7.683  -2.828
   13    HZ3  TRP   2           HZ3      TRP   2  -2.430  -9.251  -4.823
   14    HH2  TRP   2           HH2      TRP   2  -4.414  -9.595  -3.358
   15    HB2  TRP   2           HB2      TRP   2  -3.024  -2.902  -6.309
   16    HB3  TRP   2           HB3      TRP   2  -2.516  -4.434  -7.008
   17    H    GLU   3           H        GLU   3   1.270  -3.370  -5.066
   18    HA   GLU   3           HA       GLU   3   1.775  -1.264  -6.920
   19    HB2  GLU   3           HB2      GLU   3   4.084  -1.541  -6.176
   20    HB3  GLU   3           HB3      GLU   3   2.972  -1.466  -4.841
   21    HG2  GLU   3           HG2      GLU   3   3.132  -3.938  -4.553
   22    HG3  GLU   3           HG3      GLU   3   4.190  -4.035  -5.960
   23    H    TYR   4           H        TYR   4   3.838  -1.519  -8.262
   24    HA   TYR   4           HA       TYR   4   3.294  -3.384 -10.443
   25    HD1  TYR   4           HD1      TYR   4   3.049  -2.493 -12.792
   26    HD2  TYR   4           HD2      TYR   4   7.183  -1.877 -11.724
   27    HE1  TYR   4           HE1      TYR   4   3.730  -3.169 -15.073
   28    HE2  TYR   4           HE2      TYR   4   7.878  -2.546 -14.006
   29    HH   TYR   4           HH       TYR   4   5.506  -3.512 -16.540
   30    HB2  TYR   4           HB2      TYR   4   3.855  -0.983 -10.798
   31    HB3  TYR   4           HB3      TYR   4   5.470  -1.278 -10.171
   32    H    HIS   5           H        HIS   5   3.645  -5.026  -8.679
   33    HA   HIS   5           HA       HIS   5   6.152  -5.955  -7.827
   34    HD1  HIS   5           HD1      HIS   5   1.772  -6.067  -8.413
   35    HD2  HIS   5           HD2      HIS   5   3.855  -9.672  -9.191
   36    HE1  HIS   5           HE1      HIS   5   0.204  -7.538  -9.809
   37    HE2  HIS   5           HE2      HIS   5   1.467  -9.725 -10.277
   38    HB2  HIS   5           HB2      HIS   5   4.956  -8.040  -7.387
   39    HB3  HIS   5           HB3      HIS   5   4.021  -6.641  -6.878
   40    H    ALA   6           H        ALA   6   7.250  -7.937  -8.528
   41    HA   ALA   6           HA       ALA   6   7.993  -7.738 -11.320
   42    HB1  ALA   6           HB3      ALA   6   9.697  -7.965  -9.572
   43    HB2  ALA   6           HB1      ALA   6   9.021  -9.537  -9.079
   44    HB3  ALA   6           HB2      ALA   6   9.754  -9.344 -10.684
   45    H    HIS   7           H        HIS   7   5.966  -8.368 -12.210
   46    HA   HIS   7           HA       HIS   7   4.787 -10.880 -12.182
   47    HD1  HIS   7           HD1      HIS   7   1.987 -10.888 -14.241
   48    HD2  HIS   7           HD2      HIS   7   5.568 -10.564 -16.464
   49    HE1  HIS   7           HE1      HIS   7   1.633 -12.225 -16.400
   50    HE2  HIS   7           HE2      HIS   7   3.814 -12.027 -17.746
   51    HB2  HIS   7           HB2      HIS   7   3.764  -9.129 -13.342
   52    HB3  HIS   7           HB3      HIS   7   5.173  -8.829 -14.374
   53    HA   PRO   8           HA       PRO   8   8.091 -13.529 -13.440
   54    HB2  PRO   8           HB2      PRO   8   6.766 -15.775 -14.130
   55    HB3  PRO   8           HB3      PRO   8   6.873 -15.179 -12.447
   56    HG2  PRO   8           HG2      PRO   8   4.614 -14.786 -14.442
   57    HG3  PRO   8           HG3      PRO   8   4.498 -15.330 -12.733
   58    HD2  PRO   8           HD2      PRO   8   4.105 -12.734 -13.431
   59    HD3  PRO   8           HD3      PRO   8   4.969 -13.149 -11.917
   60    H    LYS   9           H        LYS   9   9.087 -14.697 -15.191
   61    HA   LYS   9           HA       LYS   9   8.702 -13.475 -17.777
   62    HB2  LYS   9           HB2      LYS   9  10.906 -14.217 -16.681
   63    HB3  LYS   9           HB3      LYS   9  10.408 -15.872 -16.973
   64    HG2  LYS   9           HG2      LYS   9  11.893 -15.354 -18.727
   65    HG3  LYS   9           HG3      LYS   9  10.300 -15.311 -19.460
   66    HD2  LYS   9           HD2      LYS   9  11.568 -13.471 -20.321
   67    HD3  LYS   9           HD3      LYS   9  10.341 -12.777 -19.252
   68    HE2  LYS   9           HE2      LYS   9  12.026 -12.568 -17.440
   69    HE3  LYS   9           HE3      LYS   9  13.244 -13.329 -18.473
   70    HZ1  LYS   9           HZ3      LYS   9  11.917 -10.740 -19.025
   71    HZ2  LYS   9           HZ1      LYS   9  13.048 -11.447 -19.981
   72    HZ3  LYS   9           HZ2      LYS   9  13.445 -10.935 -18.482
   73    HA   HYP  10           HA       HYP  10   5.697 -16.578 -19.017
   74    HG   HYP  10           HG       HYP  10   7.543 -14.947 -21.925
   75    HB2  HYP  10           HB2      HYP  10   5.477 -16.130 -21.699
   76    HB3  HYP  10           HB3      HYP  10   4.871 -14.974 -20.469
   77   HD22  HYP  10          HD3       HYP  10   6.973 -13.263 -19.475
   78   HD23  HYP  10          HD2       HYP  10   8.529 -13.860 -20.129
   79    HD1  HYP  10           HOD      HYP  10   5.616 -12.929 -21.317
   80    H    ASN  11           H        ASN  11   8.996 -16.655 -20.025
   81    HA   ASN  11           HA       ASN  11   9.160 -18.726 -21.842
   82    HB2  ASN  11           HB2      ASN  11  11.067 -17.360 -21.155
   83    HB3  ASN  11           HB3      ASN  11  10.995 -18.018 -19.517
   84   HD21  ASN  11          1HD2      ASN  11  12.224 -19.866 -19.076
   85   HD22  ASN  11          2HD2      ASN  11  12.979 -20.850 -20.307
   86    H    SER  12           H        SER  12   8.604 -18.963 -18.315
   87    HA   SER  12           HA       SER  12   9.155 -21.701 -18.049
   88    HG   SER  12           HG       SER  12   9.121 -19.371 -15.233
   89    HB2  SER  12           HB2      SER  12   7.220 -20.068 -16.367
   90    HB3  SER  12           HB3      SER  12   8.246 -21.415 -15.845
   91    H    PHE  13           H        PHE  13   6.513 -20.350 -19.743
   92    HA   PHE  13           HA       PHE  13   4.522 -22.323 -19.399
   93    HD1  PHE  13           HD2      PHE  13   2.043 -21.547 -20.485
   94    HD2  PHE  13           HD1      PHE  13   4.858 -22.037 -23.721
   95    HE1  PHE  13           HE2      PHE  13   0.272 -22.595 -21.875
   96    HE2  PHE  13           HE1      PHE  13   3.085 -23.084 -25.102
   97    HZ   PHE  13           HZ       PHE  13   0.789 -23.365 -24.184
   98    HB2  PHE  13           HB2      PHE  13   4.246 -20.215 -20.641
   99    HB3  PHE  13           HB3      PHE  13   5.448 -20.721 -21.818
  100    H    TRP  14           H        TRP  14   7.689 -22.371 -21.010
  101    HA   TRP  14           HA       TRP  14   6.986 -24.902 -22.412
  102    HD1  TRP  14           HD1      TRP  14  10.644 -24.314 -24.717
  103    HE1  TRP  14           HE1      TRP  14  10.297 -25.847 -26.729
  104    HE3  TRP  14           HE3      TRP  14   5.529 -24.582 -24.635
  105    HZ2  TRP  14           HZ2      TRP  14   8.061 -27.059 -28.140
  106    HZ3  TRP  14           HZ3      TRP  14   4.319 -25.937 -26.320
  107    HH2  TRP  14           HH2      TRP  14   5.571 -27.178 -28.074
  108    HB2  TRP  14           HB2      TRP  14   7.502 -22.718 -23.678
  109    HB3  TRP  14           HB3      TRP  14   9.165 -22.920 -23.139
  110    H    THR  15           H        THR  15   8.870 -23.751 -19.879
  111    HA   THR  15           HA       THR  15  10.653 -26.120 -19.902
  112    HB   THR  15           HB       THR  15  11.633 -23.262 -19.485
  113    HG1  THR  15           HG1      THR  15  12.613 -23.484 -21.486
  114   HG21  THR  15          3HG2      THR  15  13.141 -25.914 -19.707
  115   HG22  THR  15          1HG2      THR  15  12.929 -24.955 -18.228
  116   HG23  THR  15          2HG2      THR  15  13.886 -24.304 -19.563
  Start of MODEL   14
    1    HA   ASP   1           HA       ASP   1   0.930   0.369  -0.856
    2    H1   ASP   1           H1       ASP   1   3.777   0.010  -1.444
    3    H2   ASP   1           H2       ASP   1   2.932  -0.700  -0.239
    4    H3   ASP   1           H3       ASP   1   3.192   0.932  -0.209
    5    HB2  ASP   1           HB2      ASP   1   2.665   1.776  -2.921
    6    HB3  ASP   1           HB3      ASP   1   0.900   1.741  -2.973
    7    H    TRP   2           H        TRP   2  -0.447  -0.366  -2.676
    8    HA   TRP   2           HA       TRP   2   0.440  -2.969  -3.628
    9    HD1  TRP   2           HD1      TRP   2  -3.171  -1.110  -1.661
   10    HE1  TRP   2           HE1      TRP   2  -3.448  -2.449   0.493
   11    HE3  TRP   2           HE3      TRP   2  -0.483  -5.275  -2.961
   12    HZ2  TRP   2           HZ2      TRP   2  -2.594  -5.025   1.543
   13    HZ3  TRP   2           HZ3      TRP   2  -0.230  -7.150  -1.362
   14    HH2  TRP   2           HH2      TRP   2  -1.283  -7.032   0.892
   15    HB2  TRP   2           HB2      TRP   2  -2.188  -1.485  -3.992
   16    HB3  TRP   2           HB3      TRP   2  -1.879  -3.164  -4.412
   17    H    GLU   3           H        GLU   3   2.235  -1.869  -4.882
   18    HA   GLU   3           HA       GLU   3   1.651  -0.681  -7.432
   19    HB2  GLU   3           HB2      GLU   3   4.029  -1.033  -7.818
   20    HB3  GLU   3           HB3      GLU   3   3.720  -0.279  -6.280
   21    HG2  GLU   3           HG2      GLU   3   4.098  -2.481  -5.136
   22    HG3  GLU   3           HG3      GLU   3   4.414  -3.220  -6.706
   23    H    TYR   4           H        TYR   4   2.896  -1.902  -9.319
   24    HA   TYR   4           HA       TYR   4   1.103  -3.985 -10.118
   25    HD1  TYR   4           HD2      TYR   4   0.305  -4.183 -12.508
   26    HD2  TYR   4           HD1      TYR   4   4.570  -4.771 -12.781
   27    HE1  TYR   4           HE2      TYR   4  -0.047  -5.871 -14.288
   28    HE2  TYR   4           HE1      TYR   4   4.233  -6.448 -14.566
   29    HH   TYR   4           HH       TYR   4   2.687  -7.554 -15.915
   30    HB2  TYR   4           HB2      TYR   4   2.134  -2.421 -11.706
   31    HB3  TYR   4           HB3      TYR   4   3.729  -3.080 -11.356
   32    H    HIS   5           H        HIS   5   1.241  -6.145 -10.009
   33    HA   HIS   5           HA       HIS   5   2.952  -7.404  -8.192
   34    HD1  HIS   5           HD1      HIS   5   1.002  -7.379 -11.993
   35    HD2  HIS   5           HD2      HIS   5   1.309 -11.273 -10.374
   36    HE1  HIS   5           HE1      HIS   5   0.443  -8.999 -13.884
   37    HE2  HIS   5           HE2      HIS   5   0.623 -11.368 -12.898
   38    HB2  HIS   5           HB2      HIS   5   1.879  -9.402  -8.722
   39    HB3  HIS   5           HB3      HIS   5   0.657  -8.171  -8.925
   40    H    ALA   6           H        ALA   6   4.399  -9.247  -8.570
   41    HA   ALA   6           HA       ALA   6   6.417  -8.731 -10.629
   42    HB1  ALA   6           HB3      ALA   6   7.135  -9.339  -8.365
   43    HB2  ALA   6           HB1      ALA   6   6.241 -10.876  -8.465
   44    HB3  ALA   6           HB2      ALA   6   7.626 -10.580  -9.534
   45    H    HIS   7           H        HIS   7   4.970  -9.034 -12.409
   46    HA   HIS   7           HA       HIS   7   3.650 -11.345 -13.162
   47    HD1  HIS   7           HD1      HIS   7   2.001 -10.845 -16.221
   48    HD2  HIS   7           HD2      HIS   7   6.200 -10.670 -16.665
   49    HE1  HIS   7           HE1      HIS   7   2.536 -11.856 -18.514
   50    HE2  HIS   7           HE2      HIS   7   5.090 -11.749 -18.780
   51    HB2  HIS   7           HB2      HIS   7   3.328  -9.412 -14.391
   52    HB3  HIS   7           HB3      HIS   7   5.053  -9.163 -14.706
   53    HA   PRO   8           HA       PRO   8   6.941 -14.311 -13.430
   54    HB2  PRO   8           HB2      PRO   8   5.737 -16.319 -14.763
   55    HB3  PRO   8           HB3      PRO   8   5.289 -15.851 -13.097
   56    HG2  PRO   8           HG2      PRO   8   3.947 -15.052 -15.707
   57    HG3  PRO   8           HG3      PRO   8   3.170 -15.680 -14.214
   58    HD2  PRO   8           HD2      PRO   8   3.319 -13.011 -14.750
   59    HD3  PRO   8           HD3      PRO   8   3.495 -13.631 -13.077
   60    H    LYS   9           H        LYS   9   8.375 -15.453 -14.871
   61    HA   LYS   9           HA       LYS   9   8.906 -14.033 -17.347
   62    HB2  LYS   9           HB2      LYS   9  10.643 -14.924 -15.692
   63    HB3  LYS   9           HB3      LYS   9  10.203 -16.546 -16.208
   64    HG2  LYS   9           HG2      LYS   9  12.167 -16.005 -17.387
   65    HG3  LYS   9           HG3      LYS   9  10.882 -15.846 -18.585
   66    HD2  LYS   9           HD2      LYS   9  10.890 -13.357 -18.208
   67    HD3  LYS   9           HD3      LYS   9  12.195 -13.545 -17.042
   68    HE2  LYS   9           HE2      LYS   9  12.361 -14.393 -19.976
   69    HE3  LYS   9           HE3      LYS   9  12.885 -12.822 -19.367
   70    HZ1  LYS   9           HZ3      LYS   9  14.042 -15.416 -18.541
   71    HZ2  LYS   9           HZ1      LYS   9  14.500 -13.948 -17.971
   72    HZ3  LYS   9           HZ2      LYS   9  14.732 -14.326 -19.541
   73    HA   HYP  10           HA       HYP  10   6.265 -16.893 -19.576
   74    HG   HYP  10           HG       HYP  10   8.830 -15.088 -21.779
   75    HB2  HYP  10           HB2      HYP  10   6.743 -16.207 -22.168
   76    HB3  HYP  10           HB3      HYP  10   5.881 -15.129 -21.025
   77   HD22  HYP  10          HD3       HYP  10   7.718 -13.614 -19.387
   78   HD23  HYP  10          HD2       HYP  10   9.367 -14.248 -19.683
   79    HD1  HYP  10           HOD      HYP  10   7.508 -13.598 -22.839
   80    H    ASN  11           H        ASN  11   9.697 -17.051 -19.672
   81    HA   ASN  11           HA       ASN  11  10.277 -18.922 -21.615
   82    HB2  ASN  11           HB2      ASN  11  11.973 -17.715 -20.330
   83    HB3  ASN  11           HB3      ASN  11  11.501 -18.563 -18.852
   84   HD21  ASN  11          1HD2      ASN  11  12.576 -20.501 -18.376
   85   HD22  ASN  11          2HD2      ASN  11  13.573 -21.369 -19.518
   86    H    SER  12           H        SER  12   8.800 -19.495 -18.416
   87    HA   SER  12           HA       SER  12   9.226 -22.265 -18.275
   88    HG   SER  12           HG       SER  12   8.338 -20.232 -15.382
   89    HB2  SER  12           HB2      SER  12   6.878 -20.712 -17.118
   90    HB3  SER  12           HB3      SER  12   7.654 -22.162 -16.453
   91    H    PHE  13           H        PHE  13   7.148 -20.631 -20.500
   92    HA   PHE  13           HA       PHE  13   5.145 -22.580 -20.893
   93    HD1  PHE  13           HD1      PHE  13   3.023 -21.833 -22.174
   94    HD2  PHE  13           HD2      PHE  13   6.212 -21.462 -25.054
   95    HE1  PHE  13           HE1      PHE  13   1.496 -22.609 -23.971
   96    HE2  PHE  13           HE2      PHE  13   4.684 -22.239 -26.847
   97    HZ   PHE  13           HZ       PHE  13   2.323 -22.816 -26.309
   98    HB2  PHE  13           HB2      PHE  13   5.180 -20.303 -21.863
   99    HB3  PHE  13           HB3      PHE  13   6.576 -20.735 -22.842
  100    H    TRP  14           H        TRP  14   8.593 -22.619 -21.553
  101    HA   TRP  14           HA       TRP  14   8.357 -25.018 -23.303
  102    HD1  TRP  14           HD1      TRP  14   8.502 -24.306 -25.865
  103    HE1  TRP  14           HE1      TRP  14   7.920 -22.322 -27.357
  104    HE3  TRP  14           HE3      TRP  14  10.801 -20.596 -23.188
  105    HZ2  TRP  14           HZ2      TRP  14   8.325 -19.446 -27.352
  106    HZ3  TRP  14           HZ3      TRP  14  10.678 -18.240 -23.951
  107    HH2  TRP  14           HH2      TRP  14   9.437 -17.653 -26.023
  108    HB2  TRP  14           HB2      TRP  14  10.674 -23.099 -22.876
  109    HB3  TRP  14           HB3      TRP  14  10.660 -24.466 -23.978
  110    H    THR  15           H        THR  15   8.262 -24.798 -20.162
  111    HA   THR  15           HA       THR  15  10.619 -26.151 -19.248
  112    HB   THR  15           HB       THR  15   8.914 -24.802 -17.913
  113    HG1  THR  15           HG1      THR  15   9.440 -25.902 -16.079
  114   HG21  THR  15          3HG2      THR  15   7.064 -25.936 -16.853
  115   HG22  THR  15          1HG2      THR  15   7.445 -27.462 -17.679
  116   HG23  THR  15          2HG2      THR  15   6.854 -26.068 -18.604
  Start of MODEL   15
    1    HA   ASP   1           HA       ASP   1  -0.769   0.031  -0.636
    2    H1   ASP   1           H1       ASP   1   2.150   0.179  -0.431
    3    H2   ASP   1           H2       ASP   1   1.143  -0.659   0.546
    4    H3   ASP   1           H3       ASP   1   1.107   0.992   0.553
    5    HB2  ASP   1           HB2      ASP   1   1.193   1.710  -2.246
    6    HB3  ASP   1           HB3      ASP   1  -0.462   1.360  -2.757
    7    H    TRP   2           H        TRP   2  -1.489  -1.033  -2.631
    8    HA   TRP   2           HA       TRP   2   0.179  -3.339  -3.300
    9    HD1  TRP   2           HD1      TRP   2  -2.680  -3.629  -6.607
   10    HE1  TRP   2           HE1      TRP   2  -2.373  -5.988  -7.527
   11    HE3  TRP   2           HE3      TRP   2  -0.721  -5.858  -2.432
   12    HZ2  TRP   2           HZ2      TRP   2  -1.369  -8.550  -6.572
   13    HZ3  TRP   2           HZ3      TRP   2  -0.094  -8.256  -2.470
   14    HH2  TRP   2           HH2      TRP   2  -0.415  -9.607  -4.537
   15    HB2  TRP   2           HB2      TRP   2  -2.245  -3.548  -2.907
   16    HB3  TRP   2           HB3      TRP   2  -2.573  -2.503  -4.284
   17    H    GLU   3           H        GLU   3   1.970  -2.301  -4.276
   18    HA   GLU   3           HA       GLU   3   1.781  -0.810  -6.717
   19    HB2  GLU   3           HB2      GLU   3   4.186  -1.202  -6.811
   20    HB3  GLU   3           HB3      GLU   3   3.670  -0.608  -5.258
   21    HG2  GLU   3           HG2      GLU   3   3.838  -2.932  -4.325
   22    HG3  GLU   3           HG3      GLU   3   4.367  -3.508  -5.908
   23    H    TYR   4           H        TYR   4   3.194  -1.784  -8.577
   24    HA   TYR   4           HA       TYR   4   1.555  -3.810  -9.799
   25    HD1  TYR   4           HD2      TYR   4   1.000  -3.582 -12.374
   26    HD2  TYR   4           HD1      TYR   4   5.238  -4.325 -12.061
   27    HE1  TYR   4           HE2      TYR   4   0.874  -5.081 -14.340
   28    HE2  TYR   4           HE1      TYR   4   5.124  -5.832 -14.022
   29    HH   TYR   4           HH       TYR   4   2.060  -6.459 -15.805
   30    HB2  TYR   4           HB2      TYR   4   2.638  -2.025 -11.092
   31    HB3  TYR   4           HB3      TYR   4   4.228  -2.658 -10.678
   32    H    HIS   5           H        HIS   5   1.705  -5.959  -9.671
   33    HA   HIS   5           HA       HIS   5   3.482  -7.318  -7.996
   34    HD1  HIS   5           HD1      HIS   5   2.702  -7.336 -11.940
   35    HD2  HIS   5           HD2      HIS   5  -0.223  -9.837 -10.190
   36    HE1  HIS   5           HE1      HIS   5   1.093  -8.019 -13.822
   37    HE2  HIS   5           HE2      HIS   5  -0.672  -9.551 -12.754
   38    HB2  HIS   5           HB2      HIS   5   2.474  -9.337  -8.928
   39    HB3  HIS   5           HB3      HIS   5   1.279  -8.106  -8.544
   40    H    ALA   6           H        ALA   6   5.096  -8.929  -8.478
   41    HA   ALA   6           HA       ALA   6   6.903  -8.268 -10.694
   42    HB1  ALA   6           HB3      ALA   6   7.859  -8.793  -8.499
   43    HB2  ALA   6           HB1      ALA   6   7.076 -10.393  -8.509
   44    HB3  ALA   6           HB2      ALA   6   8.337 -10.010  -9.698
   45    H    HIS   7           H        HIS   7   5.425  -8.702 -12.369
   46    HA   HIS   7           HA       HIS   7   4.075 -11.028 -12.954
   47    HD1  HIS   7           HD1      HIS   7   2.237 -10.739 -15.867
   48    HD2  HIS   7           HD2      HIS   7   6.370 -10.408 -16.687
   49    HE1  HIS   7           HE1      HIS   7   2.611 -11.801 -18.170
   50    HE2  HIS   7           HE2      HIS   7   5.125 -11.598 -18.667
   51    HB2  HIS   7           HB2      HIS   7   3.667  -9.148 -14.239
   52    HB3  HIS   7           HB3      HIS   7   5.366  -8.912 -14.675
   53    HA   PRO   8           HA       PRO   8   7.329 -14.032 -13.367
   54    HB2  PRO   8           HB2      PRO   8   6.006 -16.079 -14.513
   55    HB3  PRO   8           HB3      PRO   8   5.707 -15.548 -12.832
   56    HG2  PRO   8           HG2      PRO   8   4.143 -14.836 -15.342
   57    HG3  PRO   8           HG3      PRO   8   3.499 -15.404 -13.765
   58    HD2  PRO   8           HD2      PRO   8   3.608 -12.758 -14.409
   59    HD3  PRO   8           HD3      PRO   8   3.928 -13.319 -12.736
   60    H    LYS   9           H        LYS   9   8.616 -15.248 -14.899
   61    HA   LYS   9           HA       LYS   9   8.943 -13.888 -17.442
   62    HB2  LYS   9           HB2      LYS   9  10.810 -14.768 -15.931
   63    HB3  LYS   9           HB3      LYS   9  10.309 -16.390 -16.368
   64    HG2  LYS   9           HG2      LYS   9  12.155 -15.901 -17.763
   65    HG3  LYS   9           HG3      LYS   9  10.746 -15.785 -18.804
   66    HD2  LYS   9           HD2      LYS   9  12.257 -13.993 -19.335
   67    HD3  LYS   9           HD3      LYS   9  10.832 -13.272 -18.578
   68    HE2  LYS   9           HE2      LYS   9  12.050 -13.114 -16.418
   69    HE3  LYS   9           HE3      LYS   9  13.459 -13.896 -17.149
   70    HZ1  LYS   9           HZ3      LYS   9  13.659 -12.002 -18.638
   71    HZ2  LYS   9           HZ1      LYS   9  13.707 -11.508 -17.083
   72    HZ3  LYS   9           HZ2      LYS   9  12.352 -11.275 -17.965
   73    HA   HYP  10           HA       HYP  10   6.054 -16.786 -19.305
   74    HG   HYP  10           HG       HYP  10   8.234 -14.854 -21.816
   75    HB2  HYP  10           HB2      HYP  10   6.172 -16.066 -21.932
   76    HB3  HYP  10           HB3      HYP  10   5.421 -15.034 -20.673
   77   HD22  HYP  10          HD3       HYP  10   7.437 -13.463 -19.259
   78   HD23  HYP  10          HD2       HYP  10   9.039 -14.054 -19.798
   79    HD1  HYP  10           HOD      HYP  10   6.720 -13.398 -22.637
   80    H    ASN  11           H        ASN  11   9.459 -16.726 -20.059
   81    HA   ASN  11           HA       ASN  11   9.710 -18.717 -21.972
   82    HB2  ASN  11           HB2      ASN  11  11.559 -17.289 -21.214
   83    HB3  ASN  11           HB3      ASN  11  11.529 -18.057 -19.619
   84   HD21  ASN  11          1HD2      ASN  11  12.024 -18.802 -23.136
   85   HD22  ASN  11          2HD2      ASN  11  13.118 -20.134 -22.854
   86    H    SER  12           H        SER  12   9.049 -19.078 -18.482
   87    HA   SER  12           HA       SER  12   9.738 -21.785 -18.242
   88    HG   SER  12           HG       SER  12   9.378 -19.554 -15.375
   89    HB2  SER  12           HB2      SER  12   7.601 -20.310 -16.659
   90    HB3  SER  12           HB3      SER  12   8.658 -21.621 -16.104
   91    H    PHE  13           H        PHE  13   7.117 -20.528 -20.053
   92    HA   PHE  13           HA       PHE  13   5.203 -22.589 -19.855
   93    HD1  PHE  13           HD1      PHE  13   2.747 -21.831 -20.946
   94    HD2  PHE  13           HD2      PHE  13   5.610 -22.224 -24.148
   95    HE1  PHE  13           HE1      PHE  13   1.014 -22.891 -22.373
   96    HE2  PHE  13           HE2      PHE  13   3.878 -23.283 -25.569
   97    HZ   PHE  13           HZ       PHE  13   1.574 -23.619 -24.687
   98    HB2  PHE  13           HB2      PHE  13   4.919 -20.453 -21.066
   99    HB3  PHE  13           HB3      PHE  13   6.158 -20.926 -22.221
  100    H    TRP  14           H        TRP  14   8.455 -22.520 -21.253
  101    HA   TRP  14           HA       TRP  14   7.985 -24.968 -22.829
  102    HD1  TRP  14           HD1      TRP  14   9.839 -20.850 -23.504
  103    HE1  TRP  14           HE1      TRP  14   8.460 -19.852 -25.407
  104    HE3  TRP  14           HE3      TRP  14   7.785 -25.166 -25.344
  105    HZ2  TRP  14           HZ2      TRP  14   6.663 -20.807 -27.477
  106    HZ3  TRP  14           HZ3      TRP  14   6.236 -25.090 -27.276
  107    HH2  TRP  14           HH2      TRP  14   5.669 -22.921 -28.350
  108    HB2  TRP  14           HB2      TRP  14  10.428 -23.171 -22.620
  109    HB3  TRP  14           HB3      TRP  14  10.190 -24.470 -23.779
  110    H    THR  15           H        THR  15   8.757 -24.424 -19.659
  111    HA   THR  15           HA       THR  15  10.937 -26.328 -19.325
  112    HB   THR  15           HB       THR  15   8.992 -25.180 -17.282
  113    HG1  THR  15           HG1      THR  15  11.563 -24.241 -18.095
  114   HG21  THR  15          3HG2      THR  15  11.768 -26.402 -16.934
  115   HG22  THR  15          1HG2      THR  15  10.228 -27.099 -16.390
  116   HG23  THR  15          2HG2      THR  15  10.819 -25.602 -15.658
  Start of MODEL   16
    1    HA   ASP   1           HA       ASP   1  -0.265   0.837  -1.090
    2    H1   ASP   1           H1       ASP   1   2.597   0.279  -0.804
    3    H2   ASP   1           H2       ASP   1   1.394  -0.268   0.157
    4    H3   ASP   1           H3       ASP   1   1.758   1.343   0.135
    5    HB2  ASP   1           HB2      ASP   1   2.084   1.953  -2.669
    6    HB3  ASP   1           HB3      ASP   1   0.408   2.001  -3.226
    7    H    TRP   2           H        TRP   2  -1.137  -0.010  -3.145
    8    HA   TRP   2           HA       TRP   2  -0.206  -2.728  -3.607
    9    HD1  TRP   2           HD1      TRP   2  -4.104  -0.495  -2.954
   10    HE1  TRP   2           HE1      TRP   2  -5.071  -1.547  -0.841
   11    HE3  TRP   2           HE3      TRP   2  -1.429  -4.867  -2.946
   12    HZ2  TRP   2           HZ2      TRP   2  -4.720  -3.996   0.690
   13    HZ3  TRP   2           HZ3      TRP   2  -1.766  -6.535  -1.145
   14    HH2  TRP   2           HH2      TRP   2  -3.410  -6.107   0.675
   15    HB2  TRP   2           HB2      TRP   2  -2.514  -1.170  -4.827
   16    HB3  TRP   2           HB3      TRP   2  -2.231  -2.899  -4.977
   17    H    GLU   3           H        GLU   3   1.939  -1.901  -4.411
   18    HA   GLU   3           HA       GLU   3   2.192  -0.796  -7.028
   19    HB2  GLU   3           HB2      GLU   3   4.525  -1.504  -6.795
   20    HB3  GLU   3           HB3      GLU   3   3.939  -0.605  -5.424
   21    HG2  GLU   3           HG2      GLU   3   3.699  -2.746  -4.135
   22    HG3  GLU   3           HG3      GLU   3   4.280  -3.638  -5.544
   23    H    TYR   4           H        TYR   4   3.545  -2.066  -8.645
   24    HA   TYR   4           HA       TYR   4   1.786  -4.085  -9.719
   25    HD1  TYR   4           HD1      TYR   4   1.193  -4.285 -12.070
   26    HD2  TYR   4           HD2      TYR   4   5.489  -4.668 -12.194
   27    HE1  TYR   4           HE1      TYR   4   0.991  -5.888 -13.948
   28    HE2  TYR   4           HE2      TYR   4   5.300  -6.252 -14.084
   29    HH   TYR   4           HH       TYR   4   3.861  -7.344 -15.556
   30    HB2  TYR   4           HB2      TYR   4   2.973  -2.462 -11.138
   31    HB3  TYR   4           HB3      TYR   4   4.521  -3.156 -10.667
   32    H    HIS   5           H        HIS   5   1.906  -6.252  -9.624
   33    HA   HIS   5           HA       HIS   5   3.617  -7.517  -7.731
   34    HD1  HIS   5           HD1      HIS   5   0.505  -7.624 -11.009
   35    HD2  HIS   5           HD2      HIS   5   2.562 -11.199 -10.085
   36    HE1  HIS   5           HE1      HIS   5   0.133  -9.206 -12.978
   37    HE2  HIS   5           HE2      HIS   5   1.343 -11.393 -12.397
   38    HB2  HIS   5           HB2      HIS   5   2.416  -9.473  -8.153
   39    HB3  HIS   5           HB3      HIS   5   1.252  -8.177  -8.301
   40    H    ALA   6           H        ALA   6   4.940  -9.464  -8.215
   41    HA   ALA   6           HA       ALA   6   6.892  -8.943 -10.334
   42    HB1  ALA   6           HB3      ALA   6   7.675  -9.622  -8.114
   43    HB2  ALA   6           HB1      ALA   6   6.748 -11.140  -8.221
   44    HB3  ALA   6           HB2      ALA   6   8.100 -10.841  -9.331
   45    H    HIS   7           H        HIS   7   5.398  -9.175 -12.078
   46    HA   HIS   7           HA       HIS   7   4.037 -11.451 -12.867
   47    HD1  HIS   7           HD1      HIS   7   2.365 -10.914 -15.883
   48    HD2  HIS   7           HD2      HIS   7   6.542 -10.590 -16.427
   49    HE1  HIS   7           HE1      HIS   7   2.862 -11.775 -18.245
   50    HE2  HIS   7           HE2      HIS   7   5.400 -11.571 -18.581
   51    HB2  HIS   7           HB2      HIS   7   3.707  -9.500 -14.041
   52    HB3  HIS   7           HB3      HIS   7   5.428  -9.239 -14.367
   53    HA   PRO   8           HA       PRO   8   7.327 -14.443 -13.309
   54    HB2  PRO   8           HB2      PRO   8   6.040 -16.415 -14.613
   55    HB3  PRO   8           HB3      PRO   8   5.676 -15.982 -12.917
   56    HG2  PRO   8           HG2      PRO   8   4.212 -15.124 -15.442
   57    HG3  PRO   8           HG3      PRO   8   3.505 -15.777 -13.926
   58    HD2  PRO   8           HD2      PRO   8   3.649 -13.095 -14.427
   59    HD3  PRO   8           HD3      PRO   8   3.878 -13.750 -12.772
   60    H    LYS   9           H        LYS   9   8.623 -15.605 -14.931
   61    HA   LYS   9           HA       LYS   9   9.023 -14.007 -17.319
   62    HB2  LYS   9           HB2      LYS   9  10.873 -15.014 -15.936
   63    HB3  LYS   9           HB3      LYS   9  10.344 -16.610 -16.454
   64    HG2  LYS   9           HG2      LYS   9  12.186 -16.052 -17.827
   65    HG3  LYS   9           HG3      LYS   9  10.773 -15.854 -18.864
   66    HD2  LYS   9           HD2      LYS   9  10.867 -13.377 -18.486
   67    HD3  LYS   9           HD3      LYS   9  12.270 -13.613 -17.424
   68    HE2  LYS   9           HE2      LYS   9  13.522 -14.632 -19.321
   69    HE3  LYS   9           HE3      LYS   9  12.128 -14.374 -20.381
   70    HZ1  LYS   9           HZ3      LYS   9  12.393 -11.989 -20.029
   71    HZ2  LYS   9           HZ1      LYS   9  13.768 -12.633 -20.629
   72    HZ3  LYS   9           HZ2      LYS   9  13.683 -12.236 -19.049
   73    HA   HYP  10           HA       HYP  10   5.925 -16.568 -19.275
   74    HG   HYP  10           HG       HYP  10   7.749 -14.083 -21.659
   75    HB2  HYP  10           HB2      HYP  10   5.810 -15.440 -21.781
   76    HB3  HYP  10           HB3      HYP  10   5.110 -14.705 -20.306
   77   HD22  HYP  10          HD3       HYP  10   7.344 -13.306 -18.792
   78   HD23  HYP  10          HD2       HYP  10   8.838 -13.764 -19.659
   79    HD1  HYP  10           HOD      HYP  10   6.097 -12.581 -21.884
   80    H    ASN  11           H        ASN  11   9.225 -16.419 -20.386
   81    HA   ASN  11           HA       ASN  11   9.258 -18.308 -22.433
   82    HB2  ASN  11           HB2      ASN  11  11.207 -16.969 -21.744
   83    HB3  ASN  11           HB3      ASN  11  11.276 -17.831 -20.203
   84   HD21  ASN  11          1HD2      ASN  11  12.610 -19.654 -20.118
   85   HD22  ASN  11          2HD2      ASN  11  13.211 -20.494 -21.526
   86    H    SER  12           H        SER  12   8.687 -18.799 -18.966
   87    HA   SER  12           HA       SER  12   9.409 -21.542 -18.896
   88    HG   SER  12           HG       SER  12   8.719 -21.390 -15.486
   89    HB2  SER  12           HB2      SER  12   9.055 -19.720 -17.010
   90    HB3  SER  12           HB3      SER  12   7.383 -20.300 -17.020
   91    H    PHE  13           H        PHE  13   6.703 -20.074 -20.426
   92    HA   PHE  13           HA       PHE  13   4.763 -22.115 -20.284
   93    HD1  PHE  13           HD1      PHE  13   2.260 -21.237 -21.151
   94    HD2  PHE  13           HD2      PHE  13   4.914 -21.369 -24.552
   95    HE1  PHE  13           HE1      PHE  13   0.423 -22.139 -22.556
   96    HE2  PHE  13           HE2      PHE  13   3.075 -22.269 -25.950
   97    HZ   PHE  13           HZ       PHE  13   0.828 -22.666 -24.955
   98    HB2  PHE  13           HB2      PHE  13   4.442 -19.879 -21.283
   99    HB3  PHE  13           HB3      PHE  13   5.599 -20.262 -22.551
  100    H    TRP  14           H        TRP  14   7.928 -21.998 -21.860
  101    HA   TRP  14           HA       TRP  14   7.275 -24.197 -23.694
  102    HD1  TRP  14           HD1      TRP  14   7.670 -23.465 -26.420
  103    HE1  TRP  14           HE1      TRP  14   8.965 -24.778 -28.183
  104    HE3  TRP  14           HE3      TRP  14  12.020 -24.221 -23.815
  105    HZ2  TRP  14           HZ2      TRP  14  11.579 -26.012 -28.443
  106    HZ3  TRP  14           HZ3      TRP  14  13.895 -25.468 -24.850
  107    HH2  TRP  14           HH2      TRP  14  13.686 -26.368 -27.159
  108    HB2  TRP  14           HB2      TRP  14   8.594 -22.046 -24.255
  109    HB3  TRP  14           HB3      TRP  14   9.928 -22.766 -23.368
  110    H    THR  15           H        THR  15   8.236 -24.063 -20.510
  111    HA   THR  15           HA       THR  15  10.290 -26.091 -20.445
  112    HB   THR  15           HB       THR  15   8.387 -25.180 -18.247
  113    HG1  THR  15           HG1      THR  15   9.920 -23.659 -17.773
  114   HG21  THR  15          3HG2      THR  15  11.153 -26.478 -18.115
  115   HG22  THR  15          1HG2      THR  15   9.614 -27.240 -17.660
  116   HG23  THR  15          2HG2      THR  15  10.224 -25.871 -16.723
  Start of MODEL   17
    1    HA   ASP   1           HA       ASP   1   0.291  -0.257  -0.436
    2    H1   ASP   1           H1       ASP   1   3.180  -0.714  -0.198
    3    H2   ASP   1           H2       ASP   1   2.010  -1.574   0.548
    4    H3   ASP   1           H3       ASP   1   2.241   0.002   0.950
    5    HB2  ASP   1           HB2      ASP   1   1.497   1.863  -0.574
    6    HB3  ASP   1           HB3      ASP   1   2.608   1.188  -1.776
    7    H    TRP   2           H        TRP   2  -0.695  -1.193  -2.232
    8    HA   TRP   2           HA       TRP   2   0.724  -3.434  -3.441
    9    HD1  TRP   2           HD1      TRP   2  -0.604  -5.751  -2.601
   10    HE1  TRP   2           HE1      TRP   2  -1.669  -6.426  -0.383
   11    HE3  TRP   2           HE3      TRP   2  -3.508  -1.600  -1.815
   12    HZ2  TRP   2           HZ2      TRP   2  -3.564  -5.302   1.515
   13    HZ3  TRP   2           HZ3      TRP   2  -4.931  -1.435   0.206
   14    HH2  TRP   2           HH2      TRP   2  -4.965  -3.283   1.875
   15    HB2  TRP   2           HB2      TRP   2  -2.109  -2.399  -3.809
   16    HB3  TRP   2           HB3      TRP   2  -1.467  -3.889  -4.482
   17    H    GLU   3           H        GLU   3   2.384  -2.131  -4.499
   18    HA   GLU   3           HA       GLU   3   1.810  -0.615  -6.866
   19    HB2  GLU   3           HB2      GLU   3   4.202  -0.888  -7.269
   20    HB3  GLU   3           HB3      GLU   3   3.863  -0.349  -5.648
   21    HG2  GLU   3           HG2      GLU   3   4.257  -2.671  -4.796
   22    HG3  GLU   3           HG3      GLU   3   4.589  -3.205  -6.445
   23    H    TYR   4           H        TYR   4   3.109  -1.556  -8.892
   24    HA   TYR   4           HA       TYR   4   1.382  -3.559  -9.999
   25    HD1  TYR   4           HD1      TYR   4   0.654  -3.130 -12.558
   26    HD2  TYR   4           HD2      TYR   4   4.806  -4.296 -12.474
   27    HE1  TYR   4           HE1      TYR   4   0.271  -4.600 -14.511
   28    HE2  TYR   4           HE2      TYR   4   4.437  -5.773 -14.426
   29    HH   TYR   4           HH       TYR   4   1.225  -6.092 -16.026
   30    HB2  TYR   4           HB2      TYR   4   2.459  -1.777 -11.335
   31    HB3  TYR   4           HB3      TYR   4   4.035  -2.511 -11.055
   32    H    HIS   5           H        HIS   5   1.567  -5.732 -10.112
   33    HA   HIS   5           HA       HIS   5   3.254  -7.086  -8.334
   34    HD1  HIS   5           HD1      HIS   5   0.769 -10.544 -10.769
   35    HD2  HIS   5           HD2      HIS   5   2.027  -6.783 -12.225
   36    HE1  HIS   5           HE1      HIS   5   0.303 -10.535 -13.289
   37    HE2  HIS   5           HE2      HIS   5   1.065  -8.238 -14.161
   38    HB2  HIS   5           HB2      HIS   5   2.252  -9.079  -9.081
   39    HB3  HIS   5           HB3      HIS   5   1.013  -7.844  -9.078
   40    H    ALA   6           H        ALA   6   4.784  -8.812  -8.761
   41    HA   ALA   6           HA       ALA   6   6.740  -8.182 -10.879
   42    HB1  ALA   6           HB3      ALA   6   8.104  -9.914  -9.768
   43    HB2  ALA   6           HB1      ALA   6   7.600  -8.649  -8.630
   44    HB3  ALA   6           HB2      ALA   6   6.790 -10.235  -8.618
   45    H    HIS   7           H        HIS   7   5.351  -8.673 -12.637
   46    HA   HIS   7           HA       HIS   7   4.066 -11.047 -13.214
   47    HD1  HIS   7           HD1      HIS   7   2.522 -11.098 -16.203
   48    HD2  HIS   7           HD2      HIS   7   6.666 -10.581 -16.842
   49    HE1  HIS   7           HE1      HIS   7   3.081 -12.303 -18.396
   50    HE2  HIS   7           HE2      HIS   7   5.596 -12.004 -18.788
   51    HB2  HIS   7           HB2      HIS   7   3.787  -9.264 -14.654
   52    HB3  HIS   7           HB3      HIS   7   5.520  -9.052 -14.950
   53    HA   PRO   8           HA       PRO   8   7.455 -13.993 -13.111
   54    HB2  PRO   8           HB2      PRO   8   6.249 -16.142 -14.204
   55    HB3  PRO   8           HB3      PRO   8   5.855 -15.535 -12.571
   56    HG2  PRO   8           HG2      PRO   8   4.390 -15.023 -15.188
   57    HG3  PRO   8           HG3      PRO   8   3.686 -15.506 -13.608
   58    HD2  PRO   8           HD2      PRO   8   3.762 -12.899 -14.438
   59    HD3  PRO   8           HD3      PRO   8   3.984 -13.340 -12.713
   60    H    LYS   9           H        LYS   9   8.849 -15.246 -14.561
   61    HA   LYS   9           HA       LYS   9   9.193 -14.009 -17.161
   62    HB2  LYS   9           HB2      LYS   9  11.077 -14.856 -15.692
   63    HB3  LYS   9           HB3      LYS   9  10.504 -16.488 -15.991
   64    HG2  LYS   9           HG2      LYS   9  12.077 -16.432 -17.622
   65    HG3  LYS   9           HG3      LYS   9  10.790 -15.712 -18.577
   66    HD2  LYS   9           HD2      LYS   9  13.025 -14.251 -17.099
   67    HD3  LYS   9           HD3      LYS   9  12.916 -14.520 -18.842
   68    HE2  LYS   9           HE2      LYS   9  10.852 -13.116 -18.924
   69    HE3  LYS   9           HE3      LYS   9  11.004 -12.816 -17.181
   70    HZ1  LYS   9           HZ3      LYS   9  13.125 -11.744 -17.617
   71    HZ2  LYS   9           HZ1      LYS   9  11.937 -11.017 -18.470
   72    HZ3  LYS   9           HZ2      LYS   9  12.985 -12.016 -19.226
   73    HA   HYP  10           HA       HYP  10   6.100 -16.901 -18.652
   74    HG   HYP  10           HG       HYP  10   7.406 -14.305 -21.395
   75    HB2  HYP  10           HB2      HYP  10   5.771 -15.958 -21.232
   76    HB3  HYP  10           HB3      HYP  10   5.068 -15.229 -19.763
   77   HD22  HYP  10          HD3       HYP  10   7.687 -13.490 -18.601
   78   HD23  HYP  10          HD2       HYP  10   8.897 -14.209 -19.698
   79    HD1  HYP  10           HOD      HYP  10   5.639 -12.974 -21.194
   80    H    ASN  11           H        ASN  11   9.320 -16.912 -19.635
   81    HA   ASN  11           HA       ASN  11   9.446 -18.564 -21.854
   82    HB2  ASN  11           HB2      ASN  11  11.360 -17.367 -20.881
   83    HB3  ASN  11           HB3      ASN  11  11.297 -18.389 -19.442
   84   HD21  ASN  11          1HD2      ASN  11  12.631 -20.209 -19.455
   85   HD22  ASN  11          2HD2      ASN  11  13.317 -20.917 -20.897
   86    H    SER  12           H        SER  12   8.550 -19.478 -18.542
   87    HA   SER  12           HA       SER  12   9.238 -22.222 -18.682
   88    HG   SER  12           HG       SER  12   6.292 -20.475 -17.044
   89    HB2  SER  12           HB2      SER  12   7.537 -22.287 -16.727
   90    HB3  SER  12           HB3      SER  12   8.971 -21.267 -16.560
   91    H    PHE  13           H        PHE  13   6.735 -20.544 -20.357
   92    HA   PHE  13           HA       PHE  13   4.783 -22.532 -20.701
   93    HD1  PHE  13           HD2      PHE  13   2.438 -21.485 -21.823
   94    HD2  PHE  13           HD1      PHE  13   5.548 -21.408 -24.815
   95    HE1  PHE  13           HE2      PHE  13   0.801 -22.193 -23.549
   96    HE2  PHE  13           HE1      PHE  13   3.907 -22.115 -26.535
   97    HZ   PHE  13           HZ       PHE  13   1.531 -22.509 -25.907
   98    HB2  PHE  13           HB2      PHE  13   4.641 -20.208 -21.511
   99    HB3  PHE  13           HB3      PHE  13   5.961 -20.495 -22.635
  100    H    TRP  14           H        TRP  14   8.123 -22.376 -21.834
  101    HA   TRP  14           HA       TRP  14   7.726 -24.801 -23.520
  102    HD1  TRP  14           HD1      TRP  14   7.578 -24.790 -26.195
  103    HE1  TRP  14           HE1      TRP  14   8.975 -26.008 -27.947
  104    HE3  TRP  14           HE3      TRP  14  12.246 -23.353 -24.634
  105    HZ2  TRP  14           HZ2      TRP  14  11.784 -26.328 -28.603
  106    HZ3  TRP  14           HZ3      TRP  14  14.262 -24.130 -25.847
  107    HH2  TRP  14           HH2      TRP  14  14.045 -25.617 -27.829
  108    HB2  TRP  14           HB2      TRP  14   8.315 -22.556 -24.639
  109    HB3  TRP  14           HB3      TRP  14   9.890 -22.708 -23.877
  110    H    THR  15           H        THR  15   8.258 -24.654 -20.568
  111    HA   THR  15           HA       THR  15  10.985 -25.426 -20.118
  112    HB   THR  15           HB       THR  15   9.297 -24.549 -18.435
  113    HG1  THR  15           HG1      THR  15  11.221 -25.280 -17.693
  114   HG21  THR  15          3HG2      THR  15   8.398 -27.449 -18.220
  115   HG22  THR  15          1HG2      THR  15   7.426 -26.137 -18.917
  116   HG23  THR  15          2HG2      THR  15   7.890 -26.078 -17.211
  Start of MODEL   18
    1    HA   ASP   1           HA       ASP   1  -2.019  -1.595  -1.029
    2    H1   ASP   1           H1       ASP   1  -0.721  -2.930   0.406
    3    H2   ASP   1           H2       ASP   1  -0.449  -1.348   0.797
    4    H3   ASP   1           H3       ASP   1   0.673  -2.208  -0.050
    5    HB2  ASP   1           HB2      ASP   1   0.615  -0.194  -1.629
    6    HB3  ASP   1           HB3      ASP   1  -0.841  -0.029  -2.615
    7    H    TRP   2           H        TRP   2  -2.299  -2.108  -3.317
    8    HA   TRP   2           HA       TRP   2  -0.922  -4.567  -4.097
    9    HD1  TRP   2           HD1      TRP   2  -2.647  -6.739  -5.009
   10    HE1  TRP   2           HE1      TRP   2  -2.682  -7.944  -7.254
   11    HE3  TRP   2           HE3      TRP   2  -2.656  -2.653  -8.107
   12    HZ2  TRP   2           HZ2      TRP   2  -2.723  -7.227 -10.075
   13    HZ3  TRP   2           HZ3      TRP   2  -2.682  -2.950 -10.565
   14    HH2  TRP   2           HH2      TRP   2  -2.718  -5.234 -11.557
   15    HB2  TRP   2           HB2      TRP   2  -3.376  -4.206  -4.357
   16    HB3  TRP   2           HB3      TRP   2  -3.055  -2.952  -5.544
   17    H    GLU   3           H        GLU   3   1.231  -3.726  -4.263
   18    HA   GLU   3           HA       GLU   3   1.930  -1.595  -6.014
   19    HB2  GLU   3           HB2      GLU   3   4.221  -2.332  -5.526
   20    HB3  GLU   3           HB3      GLU   3   3.248  -2.117  -4.097
   21    HG2  GLU   3           HG2      GLU   3   2.986  -4.572  -3.870
   22    HG3  GLU   3           HG3      GLU   3   3.840  -4.818  -5.394
   23    H    TYR   4           H        TYR   4   3.665  -1.928  -7.617
   24    HA   TYR   4           HA       TYR   4   2.791  -3.731  -9.763
   25    HD1  TYR   4           HD2      TYR   4   2.297  -2.806 -12.069
   26    HD2  TYR   4           HD1      TYR   4   6.551  -2.409 -11.469
   27    HE1  TYR   4           HE2      TYR   4   2.685  -3.541 -14.399
   28    HE2  TYR   4           HE1      TYR   4   6.953  -3.139 -13.803
   29    HH   TYR   4           HH       TYR   4   4.267  -4.002 -16.043
   30    HB2  TYR   4           HB2      TYR   4   3.380  -1.348 -10.186
   31    HB3  TYR   4           HB3      TYR   4   5.048  -1.695  -9.746
   32    H    HIS   5           H        HIS   5   3.262  -5.394  -8.076
   33    HA   HIS   5           HA       HIS   5   5.742  -6.415  -7.372
   34    HD1  HIS   5           HD1      HIS   5   1.368  -6.375  -7.786
   35    HD2  HIS   5           HD2      HIS   5   3.304  -9.920  -9.063
   36    HE1  HIS   5           HE1      HIS   5  -0.278  -7.607  -9.311
   37    HE2  HIS   5           HE2      HIS   5   0.890  -9.763 -10.075
   38    HB2  HIS   5           HB2      HIS   5   4.519  -8.543  -7.108
   39    HB3  HIS   5           HB3      HIS   5   3.658  -7.168  -6.429
   40    H    ALA   6           H        ALA   6   6.986  -8.157  -8.206
   41    HA   ALA   6           HA       ALA   6   7.551  -7.827 -11.030
   42    HB1  ALA   6           HB3      ALA   6   8.918  -9.514  -8.887
   43    HB2  ALA   6           HB1      ALA   6   9.531  -9.203 -10.523
   44    HB3  ALA   6           HB2      ALA   6   9.361  -7.860  -9.377
   45    H    HIS   7           H        HIS   7   5.522  -8.701 -11.782
   46    HA   HIS   7           HA       HIS   7   4.754 -11.378 -11.772
   47    HD1  HIS   7           HD1      HIS   7   1.863 -11.821 -13.628
   48    HD2  HIS   7           HD2      HIS   7   5.107 -10.671 -16.083
   49    HE1  HIS   7           HE1      HIS   7   1.572 -13.059 -15.855
   50    HE2  HIS   7           HE2      HIS   7   3.548 -12.358 -17.342
   51    HB2  HIS   7           HB2      HIS   7   3.356  -9.791 -12.740
   52    HB3  HIS   7           HB3      HIS   7   4.597  -9.186 -13.850
   53    HA   PRO   8           HA       PRO   8   8.337 -13.352 -13.476
   54    HB2  PRO   8           HB2      PRO   8   7.355 -15.779 -14.125
   55    HB3  PRO   8           HB3      PRO   8   7.549 -15.221 -12.438
   56    HG2  PRO   8           HG2      PRO   8   5.042 -15.191 -14.159
   57    HG3  PRO   8           HG3      PRO   8   5.217 -15.787 -12.473
   58    HD2  PRO   8           HD2      PRO   8   4.296 -13.283 -13.022
   59    HD3  PRO   8           HD3      PRO   8   5.367 -13.581 -11.616
   60    H    LYS   9           H        LYS   9   9.319 -14.223 -15.383
   61    HA   LYS   9           HA       LYS   9   8.305 -13.136 -17.879
   62    HB2  LYS   9           HB2      LYS   9  10.714 -13.201 -17.243
   63    HB3  LYS   9           HB3      LYS   9  10.682 -14.968 -17.324
   64    HG2  LYS   9           HG2      LYS   9  10.090 -14.839 -19.736
   65    HG3  LYS   9           HG3      LYS   9  10.107 -13.076 -19.655
   66    HD2  LYS   9           HD2      LYS   9  12.484 -14.907 -19.112
   67    HD3  LYS   9           HD3      LYS   9  12.188 -14.081 -20.635
   68    HE2  LYS   9           HE2      LYS   9  12.676 -12.686 -17.958
   69    HE3  LYS   9           HE3      LYS   9  13.902 -12.974 -19.193
   70    HZ1  LYS   9           HZ3      LYS   9  11.501 -11.287 -19.559
   71    HZ2  LYS   9           HZ1      LYS   9  12.629 -11.590 -20.712
   72    HZ3  LYS   9           HZ2      LYS   9  13.033 -10.759 -19.367
   73    HA   HYP  10           HA       HYP  10   5.887 -16.799 -18.616
   74    HG   HYP  10           HG       HYP  10   6.823 -14.939 -21.798
   75    HB2  HYP  10           HB2      HYP  10   5.064 -16.453 -21.191
   76    HB3  HYP  10           HB3      HYP  10   4.523 -15.390 -19.854
   77   HD22  HYP  10          HD3       HYP  10   6.407 -13.321 -19.273
   78   HD23  HYP  10          HD2       HYP  10   7.903 -13.625 -20.207
   79    HD1  HYP  10           HOD      HYP  10   4.708 -13.277 -20.841
   80    H    ASN  11           H        ASN  11   8.928 -16.363 -20.118
   81    HA   ASN  11           HA       ASN  11   9.068 -18.256 -22.113
   82    HB2  ASN  11           HB2      ASN  11  10.859 -16.668 -21.605
   83    HB3  ASN  11           HB3      ASN  11  11.172 -17.463 -20.058
   84   HD21  ASN  11          1HD2      ASN  11  12.715 -19.124 -20.039
   85   HD22  ASN  11          2HD2      ASN  11  13.339 -19.893 -21.478
   86    H    SER  12           H        SER  12   9.160 -18.844 -18.585
   87    HA   SER  12           HA       SER  12  10.125 -21.485 -18.670
   88    HG   SER  12           HG       SER  12  11.077 -19.951 -16.664
   89    HB2  SER  12           HB2      SER  12   8.242 -20.280 -16.604
   90    HB3  SER  12           HB3      SER  12   9.481 -21.516 -16.337
   91    H    PHE  13           H        PHE  13   7.016 -20.384 -19.716
   92    HA   PHE  13           HA       PHE  13   5.411 -22.653 -19.275
   93    HD1  PHE  13           HD2      PHE  13   2.682 -22.110 -19.766
   94    HD2  PHE  13           HD1      PHE  13   4.816 -21.961 -23.515
   95    HE1  PHE  13           HE2      PHE  13   0.789 -23.251 -20.895
   96    HE2  PHE  13           HE1      PHE  13   2.922 -23.103 -24.636
   97    HZ   PHE  13           HZ       PHE  13   0.904 -23.750 -23.331
   98    HB2  PHE  13           HB2      PHE  13   4.640 -20.500 -20.197
   99    HB3  PHE  13           HB3      PHE  13   5.628 -20.736 -21.632
  100    H    TRP  14           H        TRP  14   8.216 -22.157 -21.359
  101    HA   TRP  14           HA       TRP  14   7.594 -24.556 -22.979
  102    HD1  TRP  14           HD1      TRP  14  11.119 -23.645 -25.414
  103    HE1  TRP  14           HE1      TRP  14  10.578 -24.892 -27.574
  104    HE3  TRP  14           HE3      TRP  14   6.032 -23.965 -24.893
  105    HZ2  TRP  14           HZ2      TRP  14   8.216 -25.922 -28.921
  106    HZ3  TRP  14           HZ3      TRP  14   4.664 -25.089 -26.626
  107    HH2  TRP  14           HH2      TRP  14   5.743 -26.071 -28.641
  108    HB2  TRP  14           HB2      TRP  14   8.162 -22.185 -23.899
  109    HB3  TRP  14           HB3      TRP  14   9.824 -22.571 -23.474
  110    H    THR  15           H        THR  15   8.863 -24.360 -20.072
  111    HA   THR  15           HA       THR  15  11.499 -25.441 -20.342
  112    HB   THR  15           HB       THR  15  10.429 -24.264 -18.344
  113    HG1  THR  15           HG1      THR  15  12.429 -25.095 -18.106
  114   HG21  THR  15          3HG2      THR  15   9.455 -27.052 -17.599
  115   HG22  THR  15          1HG2      THR  15   8.402 -25.721 -18.119
  116   HG23  THR  15          2HG2      THR  15   9.345 -25.567 -16.630
  Start of MODEL   19
    1    HA   ASP   1           HA       ASP   1  -0.379  -0.538  -0.564
    2    H1   ASP   1           H1       ASP   1   1.468  -1.652   0.376
    3    H2   ASP   1           H2       ASP   1   1.672  -0.030   0.617
    4    H3   ASP   1           H3       ASP   1   2.536  -0.823  -0.541
    5    HB2  ASP   1           HB2      ASP   1   1.732   1.071  -2.052
    6    HB3  ASP   1           HB3      ASP   1   0.022   1.035  -2.495
    7    H    TRP   2           H        TRP   2  -1.309  -1.131  -2.684
    8    HA   TRP   2           HA       TRP   2  -0.130  -3.606  -3.663
    9    HD1  TRP   2           HD1      TRP   2  -1.882  -5.566  -2.788
   10    HE1  TRP   2           HE1      TRP   2  -3.340  -5.880  -0.720
   11    HE3  TRP   2           HE3      TRP   2  -4.262  -1.024  -2.791
   12    HZ2  TRP   2           HZ2      TRP   2  -5.319  -4.349   0.762
   13    HZ3  TRP   2           HZ3      TRP   2  -5.926  -0.486  -1.037
   14    HH2  TRP   2           HH2      TRP   2  -6.460  -2.144   0.742
   15    HB2  TRP   2           HB2      TRP   2  -2.683  -2.153  -4.438
   16    HB3  TRP   2           HB3      TRP   2  -2.228  -3.775  -4.934
   17    H    GLU   3           H        GLU   3   1.847  -2.323  -4.418
   18    HA   GLU   3           HA       GLU   3   1.739  -0.926  -6.919
   19    HB2  GLU   3           HB2      GLU   3   4.164  -1.277  -6.880
   20    HB3  GLU   3           HB3      GLU   3   3.552  -0.615  -5.387
   21    HG2  GLU   3           HG2      GLU   3   3.757  -2.827  -4.289
   22    HG3  GLU   3           HG3      GLU   3   4.266  -3.553  -5.818
   23    H    TYR   4           H        TYR   4   3.243  -1.895  -8.682
   24    HA   TYR   4           HA       TYR   4   1.724  -4.027  -9.884
   25    HD1  TYR   4           HD2      TYR   4   1.141  -3.840 -12.406
   26    HD2  TYR   4           HD1      TYR   4   5.410  -4.413 -12.168
   27    HE1  TYR   4           HE2      TYR   4   1.036  -5.366 -14.350
   28    HE2  TYR   4           HE1      TYR   4   5.318  -5.942 -14.115
   29    HH   TYR   4           HH       TYR   4   2.237  -6.709 -15.818
   30    HB2  TYR   4           HB2      TYR   4   2.755  -2.197 -11.185
   31    HB3  TYR   4           HB3      TYR   4   4.359  -2.787 -10.764
   32    H    HIS   5           H        HIS   5   1.983  -6.151  -9.688
   33    HA   HIS   5           HA       HIS   5   3.857  -7.340  -7.951
   34    HD1  HIS   5           HD1      HIS   5   1.227 -10.942 -10.002
   35    HD2  HIS   5           HD2      HIS   5   2.289  -7.237 -11.742
   36    HE1  HIS   5           HE1      HIS   5   0.467 -11.030 -12.446
   37    HE2  HIS   5           HE2      HIS   5   1.088  -8.760 -13.481
   38    HB2  HIS   5           HB2      HIS   5   2.863  -9.401  -8.539
   39    HB3  HIS   5           HB3      HIS   5   1.590  -8.200  -8.463
   40    H    ALA   6           H        ALA   6   5.368  -9.123  -8.502
   41    HA   ALA   6           HA       ALA   6   7.165  -8.471 -10.727
   42    HB1  ALA   6           HB3      ALA   6   7.265 -10.679  -8.622
   43    HB2  ALA   6           HB1      ALA   6   8.527 -10.316  -9.817
   44    HB3  ALA   6           HB2      ALA   6   8.127  -9.121  -8.568
   45    H    HIS   7           H        HIS   7   5.572  -8.769 -12.368
   46    HA   HIS   7           HA       HIS   7   4.194 -11.064 -13.037
   47    HD1  HIS   7           HD1      HIS   7   2.258 -10.535 -15.890
   48    HD2  HIS   7           HD2      HIS   7   6.388 -10.347 -16.770
   49    HE1  HIS   7           HE1      HIS   7   2.549 -11.520 -18.237
   50    HE2  HIS   7           HE2      HIS   7   5.060 -11.403 -18.770
   51    HB2  HIS   7           HB2      HIS   7   3.772  -9.105 -14.206
   52    HB3  HIS   7           HB3      HIS   7   5.460  -8.870 -14.683
   53    HA   PRO   8           HA       PRO   8   7.424 -14.045 -13.653
   54    HB2  PRO   8           HB2      PRO   8   6.094 -16.011 -14.933
   55    HB3  PRO   8           HB3      PRO   8   5.801 -15.589 -13.220
   56    HG2  PRO   8           HG2      PRO   8   4.234 -14.713 -15.674
   57    HG3  PRO   8           HG3      PRO   8   3.592 -15.375 -14.132
   58    HD2  PRO   8           HD2      PRO   8   3.709 -12.696 -14.613
   59    HD3  PRO   8           HD3      PRO   8   4.037 -13.356 -12.979
   60    H    LYS   9           H        LYS   9   8.729 -15.148 -15.231
   61    HA   LYS   9           HA       LYS   9   9.103 -13.678 -17.697
   62    HB2  LYS   9           HB2      LYS   9  10.963 -14.654 -16.358
   63    HB3  LYS   9           HB3      LYS   9  10.351 -16.279 -16.726
   64    HG2  LYS   9           HG2      LYS   9  10.735 -15.853 -19.150
   65    HG3  LYS   9           HG3      LYS   9  11.282 -14.220 -18.774
   66    HD2  LYS   9           HD2      LYS   9  13.174 -15.604 -19.233
   67    HD3  LYS   9           HD3      LYS   9  13.229 -15.141 -17.539
   68    HE2  LYS   9           HE2      LYS   9  11.983 -17.797 -18.359
   69    HE3  LYS   9           HE3      LYS   9  13.740 -17.623 -18.347
   70    HZ1  LYS   9           HZ3      LYS   9  12.917 -18.493 -16.272
   71    HZ2  LYS   9           HZ1      LYS   9  12.012 -17.163 -15.999
   72    HZ3  LYS   9           HZ2      LYS   9  13.648 -17.051 -16.027
   73    HA   HYP  10           HA       HYP  10   6.035 -16.219 -19.760
   74    HG   HYP  10           HG       HYP  10   8.464 -14.410 -22.095
   75    HB2  HYP  10           HB2      HYP  10   6.314 -15.416 -22.359
   76    HB3  HYP  10           HB3      HYP  10   5.595 -14.377 -21.088
   77   HD22  HYP  10          HD3       HYP  10   7.638 -13.040 -19.526
   78   HD23  HYP  10          HD2       HYP  10   9.232 -13.689 -20.021
   79    HD1  HYP  10           HOD      HYP  10   6.615 -12.321 -21.489
   80    H    ASN  11           H        ASN  11   9.439 -16.234 -20.776
   81    HA   ASN  11           HA       ASN  11   9.385 -18.323 -22.610
   82    HB2  ASN  11           HB2      ASN  11  11.302 -16.827 -22.288
   83    HB3  ASN  11           HB3      ASN  11  11.586 -17.498 -20.677
   84   HD21  ASN  11          1HD2      ASN  11  11.381 -18.511 -24.161
   85   HD22  ASN  11          2HD2      ASN  11  12.580 -19.774 -24.015
   86    H    SER  12           H        SER  12   9.217 -18.501 -19.059
   87    HA   SER  12           HA       SER  12  10.077 -21.163 -18.766
   88    HG   SER  12           HG       SER  12   9.887 -18.795 -15.979
   89    HB2  SER  12           HB2      SER  12   8.070 -19.672 -17.034
   90    HB3  SER  12           HB3      SER  12   9.209 -20.931 -16.528
   91    H    PHE  13           H        PHE  13   7.139 -20.048 -20.212
   92    HA   PHE  13           HA       PHE  13   5.447 -22.254 -19.649
   93    HD1  PHE  13           HD1      PHE  13   2.796 -21.601 -19.980
   94    HD2  PHE  13           HD2      PHE  13   4.665 -21.718 -23.869
   95    HE1  PHE  13           HE1      PHE  13   0.783 -22.710 -20.919
   96    HE2  PHE  13           HE2      PHE  13   2.651 -22.825 -24.801
   97    HZ   PHE  13           HZ       PHE  13   0.705 -23.322 -23.330
   98    HB2  PHE  13           HB2      PHE  13   4.764 -20.078 -20.645
   99    HB3  PHE  13           HB3      PHE  13   5.678 -20.459 -22.096
  100    H    TRP  14           H        TRP  14   8.361 -21.944 -21.568
  101    HA   TRP  14           HA       TRP  14   7.706 -24.262 -23.272
  102    HD1  TRP  14           HD1      TRP  14  11.716 -23.927 -24.917
  103    HE1  TRP  14           HE1      TRP  14  11.490 -25.077 -27.184
  104    HE3  TRP  14           HE3      TRP  14   6.674 -23.343 -25.601
  105    HZ2  TRP  14           HZ2      TRP  14   9.368 -25.684 -29.078
  106    HZ3  TRP  14           HZ3      TRP  14   5.577 -24.218 -27.644
  107    HH2  TRP  14           HH2      TRP  14   6.911 -25.389 -29.386
  108    HB2  TRP  14           HB2      TRP  14   8.695 -22.005 -24.076
  109    HB3  TRP  14           HB3      TRP  14  10.205 -22.543 -23.352
  110    H    THR  15           H        THR  15   9.095 -23.774 -20.278
  111    HA   THR  15           HA       THR  15  11.317 -25.638 -20.416
  112    HB   THR  15           HB       THR  15   9.817 -24.573 -17.990
  113    HG1  THR  15           HG1      THR  15  12.073 -23.484 -19.357
  114   HG21  THR  15          3HG2      THR  15  12.666 -25.630 -18.286
  115   HG22  THR  15          1HG2      THR  15  11.329 -26.419 -17.425
  116   HG23  THR  15          2HG2      THR  15  11.980 -24.891 -16.819
  Start of MODEL   20
    1    HA   ASP   1           HA       ASP   1  -2.106  -2.035  -1.680
    2    H1   ASP   1           H1       ASP   1  -0.600  -3.221  -0.318
    3    H2   ASP   1           H2       ASP   1  -0.602  -1.644   0.175
    4    H3   ASP   1           H3       ASP   1   0.651  -2.245  -0.711
    5    HB2  ASP   1           HB2      ASP   1   0.253  -0.173  -2.160
    6    HB3  ASP   1           HB3      ASP   1  -1.211  -0.193  -3.150
    7    H    TRP   2           H        TRP   2  -2.277  -2.403  -4.016
    8    HA   TRP   2           HA       TRP   2  -0.577  -4.604  -4.896
    9    HD1  TRP   2           HD1      TRP   2  -2.069  -6.288  -4.066
   10    HE1  TRP   2           HE1      TRP   2  -4.213  -7.171  -3.011
   11    HE3  TRP   2           HE3      TRP   2  -5.429  -3.155  -6.343
   12    HZ2  TRP   2           HZ2      TRP   2  -7.062  -6.603  -3.143
   13    HZ3  TRP   2           HZ3      TRP   2  -7.851  -3.363  -5.865
   14    HH2  TRP   2           HH2      TRP   2  -8.674  -5.085  -4.266
   15    HB2  TRP   2           HB2      TRP   2  -2.894  -3.202  -6.271
   16    HB3  TRP   2           HB3      TRP   2  -2.132  -4.697  -6.788
   17    H    GLU   3           H        GLU   3   1.404  -3.299  -4.857
   18    HA   GLU   3           HA       GLU   3   1.913  -1.252  -6.778
   19    HB2  GLU   3           HB2      GLU   3   4.242  -1.616  -6.123
   20    HB3  GLU   3           HB3      GLU   3   3.186  -1.450  -4.750
   21    HG2  GLU   3           HG2      GLU   3   3.242  -3.916  -4.392
   22    HG3  GLU   3           HG3      GLU   3   4.244  -4.105  -5.832
   23    H    TYR   4           H        TYR   4   3.937  -1.652  -8.199
   24    HA   TYR   4           HA       TYR   4   3.187  -3.571 -10.283
   25    HD1  TYR   4           HD2      TYR   4   3.024  -2.818 -12.732
   26    HD2  TYR   4           HD1      TYR   4   7.176  -2.469 -11.617
   27    HE1  TYR   4           HE2      TYR   4   3.687  -3.723 -14.941
   28    HE2  TYR   4           HE1      TYR   4   7.853  -3.367 -13.821
   29    HH   TYR   4           HH       TYR   4   7.133  -4.181 -15.882
   30    HB2  TYR   4           HB2      TYR   4   3.891  -1.264 -10.825
   31    HB3  TYR   4           HB3      TYR   4   5.489  -1.587 -10.166
   32    H    HIS   5           H        HIS   5   3.437  -5.350  -8.767
   33    HA   HIS   5           HA       HIS   5   5.894  -6.284  -7.760
   34    HD1  HIS   5           HD1      HIS   5   4.034 -10.166  -9.221
   35    HD2  HIS   5           HD2      HIS   5   1.638  -6.687  -9.038
   36    HE1  HIS   5           HE1      HIS   5   1.990 -10.600 -10.708
   37    HE2  HIS   5           HE2      HIS   5   0.545  -8.480 -10.598
   38    HB2  HIS   5           HB2      HIS   5   4.791  -8.374  -7.441
   39    HB3  HIS   5           HB3      HIS   5   3.643  -7.094  -7.095
   40    H    ALA   6           H        ALA   6   7.116  -8.185  -8.497
   41    HA   ALA   6           HA       ALA   6   7.993  -7.868 -11.252
   42    HB1  ALA   6           HB3      ALA   6   8.960  -9.718  -9.026
   43    HB2  ALA   6           HB1      ALA   6   9.750  -9.468 -10.596
   44    HB3  ALA   6           HB2      ALA   6   9.631  -8.123  -9.446
   45    H    HIS   7           H        HIS   7   5.993  -8.500 -12.232
   46    HA   HIS   7           HA       HIS   7   4.840 -11.024 -12.272
   47    HD1  HIS   7           HD1      HIS   7   2.144 -11.128 -14.434
   48    HD2  HIS   7           HD2      HIS   7   5.736 -10.448 -16.555
   49    HE1  HIS   7           HE1      HIS   7   1.906 -12.336 -16.684
   50    HE2  HIS   7           HE2      HIS   7   4.092 -11.918 -17.969
   51    HB2  HIS   7           HB2      HIS   7   3.804  -9.288 -13.411
   52    HB3  HIS   7           HB3      HIS   7   5.232  -8.898 -14.382
   53    HA   PRO   8           HA       PRO   8   8.225 -13.588 -13.579
   54    HB2  PRO   8           HB2      PRO   8   6.936 -15.856 -14.260
   55    HB3  PRO   8           HB3      PRO   8   7.074 -15.279 -12.574
   56    HG2  PRO   8           HG2      PRO   8   4.752 -14.928 -14.507
   57    HG3  PRO   8           HG3      PRO   8   4.692 -15.480 -12.798
   58    HD2  PRO   8           HD2      PRO   8   4.220 -12.886 -13.494
   59    HD3  PRO   8           HD3      PRO   8   5.098 -13.293 -11.985
   60    H    LYS   9           H        LYS   9   9.203 -14.673 -15.393
   61    HA   LYS   9           HA       LYS   9   8.582 -13.440 -17.945
   62    HB2  LYS   9           HB2      LYS   9  10.889 -13.882 -17.116
   63    HB3  LYS   9           HB3      LYS   9  10.591 -15.623 -17.245
   64    HG2  LYS   9           HG2      LYS   9  10.180 -15.341 -19.698
   65    HG3  LYS   9           HG3      LYS   9  10.516 -13.614 -19.551
   66    HD2  LYS   9           HD2      LYS   9  12.489 -15.859 -18.927
   67    HD3  LYS   9           HD3      LYS   9  12.428 -14.934 -20.437
   68    HE2  LYS   9           HE2      LYS   9  12.852 -12.830 -19.157
   69    HE3  LYS   9           HE3      LYS   9  12.979 -13.774 -17.666
   70    HZ1  LYS   9           HZ3      LYS   9  14.765 -14.042 -20.008
   71    HZ2  LYS   9           HZ1      LYS   9  14.881 -14.918 -18.626
   72    HZ3  LYS   9           HZ2      LYS   9  15.139 -13.306 -18.600
   73    HA   HYP  10           HA       HYP  10   5.687 -16.726 -18.847
   74    HG   HYP  10           HG       HYP  10   6.880 -14.756 -21.924
   75    HB2  HYP  10           HB2      HYP  10   5.007 -16.170 -21.432
   76    HB3  HYP  10           HB3      HYP  10   4.513 -15.141 -20.050
   77   HD22  HYP  10          HD3       HYP  10   6.617 -13.303 -19.288
   78   HD23  HYP  10          HD2       HYP  10   8.086 -13.725 -20.221
   79    HD1  HYP  10           HOD      HYP  10   5.047 -13.519 -22.362
   80    H    ASN  11           H        ASN  11   8.710 -16.380 -20.577
   81    HA   ASN  11           HA       ASN  11   8.621 -18.455 -22.407
   82    HB2  ASN  11           HB2      ASN  11  10.445 -16.812 -22.260
   83    HB3  ASN  11           HB3      ASN  11  10.959 -17.490 -20.711
   84   HD21  ASN  11          1HD2      ASN  11  12.484 -19.167 -20.758
   85   HD22  ASN  11          2HD2      ASN  11  12.928 -20.039 -22.205
   86    H    SER  12           H        SER  12   9.084 -18.667 -18.869
   87    HA   SER  12           HA       SER  12  10.123 -21.273 -18.779
   88    HG   SER  12           HG       SER  12  10.427 -18.924 -16.019
   89    HB2  SER  12           HB2      SER  12   8.421 -19.896 -16.665
   90    HB3  SER  12           HB3      SER  12   9.715 -21.082 -16.412
   91    H    PHE  13           H        PHE  13   6.871 -20.333 -19.556
   92    HA   PHE  13           HA       PHE  13   5.420 -22.608 -18.738
   93    HD1  PHE  13           HD1      PHE  13   2.679 -22.177 -18.787
   94    HD2  PHE  13           HD2      PHE  13   4.110 -22.200 -22.859
   95    HE1  PHE  13           HE1      PHE  13   0.666 -23.446 -19.493
   96    HE2  PHE  13           HE2      PHE  13   2.096 -23.467 -23.557
   97    HZ   PHE  13           HZ       PHE  13   0.370 -24.094 -21.877
   98    HB2  PHE  13           HB2      PHE  13   4.460 -20.527 -19.668
   99    HB3  PHE  13           HB3      PHE  13   5.214 -20.860 -21.221
  100    H    TRP  14           H        TRP  14   7.941 -22.219 -21.156
  101    HA   TRP  14           HA       TRP  14   7.124 -24.537 -22.730
  102    HD1  TRP  14           HD1      TRP  14  10.543 -24.922 -24.809
  103    HE1  TRP  14           HE1      TRP  14   9.800 -25.584 -27.159
  104    HE3  TRP  14           HE3      TRP  14   6.047 -22.476 -24.933
  105    HZ2  TRP  14           HZ2      TRP  14   7.520 -25.103 -28.902
  106    HZ3  TRP  14           HZ3      TRP  14   4.611 -22.593 -26.950
  107    HH2  TRP  14           HH2      TRP  14   5.336 -23.901 -28.937
  108    HB2  TRP  14           HB2      TRP  14   8.270 -22.243 -23.447
  109    HB3  TRP  14           HB3      TRP  14   9.753 -23.094 -23.055
  110    H    THR  15           H        THR  15   8.517 -24.404 -19.756
  111    HA   THR  15           HA       THR  15   9.862 -26.955 -20.010
  112    HB   THR  15           HB       THR  15  11.574 -25.521 -20.856
  113    HG1  THR  15           HG1      THR  15  13.215 -26.191 -19.576
  114   HG21  THR  15          3HG2      THR  15  11.050 -23.348 -19.885
  115   HG22  THR  15          1HG2      THR  15  12.731 -23.793 -19.588
  116   HG23  THR  15          2HG2      THR  15  11.545 -23.913 -18.277