*HEADER    TOXIN                                   29-APR-07   2YYF              
*TITLE     PURIFICATION AND STRUCTURAL CHARACTERIZATION OF A D-AMINO             
*TITLE    2 ACID CONTAINING CONOPEPTIDE, MARMOPHINE, FROM CONUS                  
*TITLE    3 MARMOREUS                                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: M-CONOTOXIN MR12;                                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: MR1931;                                                     
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN CONUS               
*SOURCE   4 MARMOREUS                                                            
*KEYWDS    M-CONOTOXIN MR12, MR1931, NMR                                         
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    F.HUANG, W.DU, Y.HAN, C.WANG                                          
*REVDAT   2   22-APR-08 2YYF    1       UPDATE CONSTRAINT DATA                                     
*REVDAT   1   08-APR-08 2YYF    0                                                


  2  TRP    PHI     -100   -30
  3  GLU    PHI     -100   -30
  4  TYR    PHI     -100   -30
  6  ALA    PHI     -100   -30
  9  LYS    PHI     -100   -30
 11  ASN    PHI     -100   -30
 12  SER    PHI     -100   -30
 15  THR    PHI     -165   -75

#hbond upl
  11 ASN  O       14 TRP   H      2.20
  11 ASN  O       14 TRP   N      3.20

#H2O 
 9 LYS  H       9 LYS  HA      3.27            #peak     1
 11 ASN  H      11 ASN  QB      4.43            #peak     2
  2 TRP  H       2 TRP  QB      4.49            #peak     3
 10 HYP  QB     11 ASN  H       5.11            #peak     6
  1 ASP  HA      2 TRP  H       3.14            #peak     7
  2 TRP  H       2 TRP  HA      3.61            #peak     8
  2 TRP  H       3 GLU  H       4.07            #peak     9
 11 ASN  H      12 SER  H       3.45            #peak    10
  7 HIS  H       7 HIS  HB2     3.17            #peak    12
  7 HIS  H       7 HIS  HB3     2.62            #peak    13
  6 ALA  HA      7 HIS  H       2.49            #peak    14
  7 HIS  H       7 HIS  HA      3.17            #peak    15
  6 ALA  H       7 HIS  H       4.51            #peak    16
  8 PRO  HB2     9 LYS  H       3.76            #peak    20
  9 LYS  H       9 LYS  HB2     2.65            #peak    22
  9 LYS  H       9 LYS  HB3     3.11            #peak    23
 14 TRP  H      14 TRP  HB3     3.42            #peak    26
 13 PHD  HB2    14 TRP  H       4.70            #peak    27
 13 PHD  HB3    14 TRP  H       4.35            #peak    28
 14 TRP  H      14 TRP  HB2     4.01            #peak    29
 13 PHD  HA     14 TRP  H       2.96            #peak    30
 14 TRP  H      14 TRP  HA      3.73            #peak    31
  5 HIS  HA      6 ALA  H       2.55            #peak    36
  5 HIS  H       5 HIS  HA      3.17            #peak    37
  4 TYR  HA      5 HIS  H       2.46            #peak    38
  6 ALA  H       6 ALA  HA      3.30            #peak    39
  5 HIS  HB3     6 ALA  H       4.20            #peak    40
  5 HIS  HB2     6 ALA  H       3.83            #peak    41
  5 HIS  H       5 HIS  HB3     3.27            #peak    42
  5 HIS  H       5 HIS  HB2     3.73            #peak    43
 11 ASN  QB     12 SER  H       3.28            #peak    46
 13 PHD  H      13 PHD  HB3     3.90            #peak    47
 13 PHD  H      13 PHD  HB2     3.00            #peak    48
 12 SER  HB2    13 PHD  H       3.83            #peak    49
 12 SER  H      12 SER  HB2     3.39            #peak    50
 12 SER  H      12 SER  HA      2.75            #peak    51
 12 SER  HA     13 PHD  H       3.42            #peak    52
  4 TYR  H       4 TYR  HA      3.17            #peak    53
  3 GLU  HA      4 TYR  H       2.59            #peak    54
 11 ASN  HA     12 SER  H       3.50            #peak    55
 13 PHD  H      13 PHD  HA      3.61            #peak    56
  2 TRP  HA      3 GLU  H       2.80            #peak    57
 14 TRP  HA     15 THR  H       3.83            #peak    58
 13 PHD  HA     15 THR  H       4.38            #peak    59
 11 ASN  H      12 SER  H       3.48            #peak    62
  2 TRP  H       3 GLU  H       4.20            #peak    63
  2 TRP  QB      3 GLU  H       5.23            #peak    64
  3 GLU  H       3 GLU  HB3     3.45            #peak    65
  3 GLU  H       3 GLU  HB2     3.05            #peak    66
  8 PRO  HB2     8 PRO  HA      3.83            #peak    81
 10 HYP  QB     10 HYP  HA      5.36            #peak    82
  4 TYR  HA      5 HIS  H       3.14            #peak    85
  5 HIS  HA      6 ALA  H       3.64            #peak    86
 15 THR  H      15 THR  HA      4.32            #peak    87
 12 SER  HA     13 PHD  H       3.42            #peak    88
 11 ASN  H      11 ASN  HA      3.67            #peak    89
  1 ASP  HA      2 TRP  H       4.04            #peak    90
  3 GLU  HA      3 GLU  HB2     3.92            #peak    91
  3 GLU  HA      4 TYR  H       3.02            #peak    92
  6 ALA  H       6 ALA  HA      3.76            #peak    93
  6 ALA  HA      7 HIS  H       2.93            #peak    94
 12 SER  HA     12 SER  HB2     3.76            #peak    98
 12 SER  H      12 SER  HB3     3.79            #peak    99
  2 TRP  H       2 TRP  QB      4.65            #peak   104
  7 HIS  H       7 HIS  HB3     3.39            #peak   105
  7 HIS  H       7 HIS  HB2     3.14            #peak   106
 14 TRP  H      14 TRP  HB2     3.86            #peak   107
  2 TRP  QB      3 GLU  H       5.30            #peak   108
  2 TRP  HA      2 TRP  QB      4.37            #peak   113
 11 ASN  H      11 ASN  QB      4.52            #peak   117
  4 TYR  HB3     5 HIS  H       3.92            #peak   118
  4 TYR  HB2     5 HIS  H       3.95            #peak   119
  5 HIS  H       5 HIS  HB3     3.14            #peak   120
  4 TYR  H       4 TYR  HB3     2.46            #peak   121
  4 TYR  H       4 TYR  HB2     2.43            #peak   122
 11 ASN  HA     11 ASN  QB      4.06            #peak   125
 13 PHD  HA     13 PHD  HB2     2.99            #peak   126
 13 PHD  HA     13 PHD  HB2     2.96            #peak   127
  4 TYR  HA      4 TYR  HB3     3.00            #peak   128
  4 TYR  HA      4 TYR  HB2     2.55            #peak   129
  8 PRO  HA      8 PRO  HB2     2.90            #peak   147
  8 PRO  HB2     9 LYS  H       3.79            #peak   152
 10 HYP  QB     11 ASN  H       4.96            #peak   153
  9 LYS  H       9 LYS  HB2     3.45            #peak   157
  9 LYS  H       9 LYS  HB3     3.14            #peak   158
  3 GLU  H       3 GLU  HB3     3.45            #peak   159
  3 GLU  H       3 GLU  HB2     3.67            #peak   160
  9 LYS  HA      9 LYS  HB3     3.36            #peak   161
  9 LYS  HA      9 LYS  HB2     3.21            #peak   162
  3 GLU  HA      3 GLU  HB3     3.61            #peak   163
  3 GLU  HA      3 GLU  HB2     3.39            #peak   164
  1 ASP  QB      2 TRP  H       4.74            #peak   180
 10 HYP  QB     12 SER  H       6.17            #peak   208
  5 HIS  HA      5 HIS  HB3     3.05            #peak   211
  5 HIS  HA      5 HIS  HB2     2.74            #peak   212
 12 SER  HA     12 SER  HB3     3.45            #peak   219
 11 ASN  H      11 ASN  HA      2.74            #peak   227
 10 HYP  HD3    11 ASN  H       5.50            #peak     4
 10 HYP  HG     11 ASN  H       5.07            #peak     5
  2 TRP  H       2 TRP  HD1     5.50            #peak    11
  9 LYS  H      10 HYP  HD2     5.50            #peak    17
  8 PRO  HD2     9 LYS  H       4.79            #peak    18
  8 PRO  HD3     9 LYS  H       5.47            #peak    19
  8 PRO  HG2     9 LYS  H       4.51            #peak    21
  9 LYS  H       9 LYS  QG      6.38            #peak    24
 14 TRP  H      14 TRP  HZ3     5.50            #peak    32
  4 TYR  QD      6 ALA  H       7.63            #peak    33
  5 HIS  H      14 TRP  HZ3     5.50            #peak    34
  4 TYR  QD      5 HIS  H       7.63            #peak    35
 10 HYP  HG     12 SER  H       5.50            #peak    45
  4 TYR  H       4 TYR  QD      7.63            #peak    60
 13 PHD  H      13 PHD  QD      7.68            #peak    61
  3 GLU  H       3 GLU  QG      6.38            #peak    67
  2 TRP  HE1     2 TRP  HZ2     4.97            #peak    68
 14 TRP  HA     14 TRP  HE3     4.94            #peak    69
  2 TRP  HA      2 TRP  HE3     5.31            #peak    70
  2 TRP  HE3     3 GLU  HA      5.50            #peak    71
 14 TRP  HB2    14 TRP  HE3     5.50            #peak    72
  2 TRP  QB      2 TRP  HE3     6.04            #peak    73
  7 HIS  HB2     7 HIS  HD2     4.29            #peak    75
  7 HIS  HB3     7 HIS  HD2     3.90            #peak    76
  7 HIS  H       7 HIS  HD2     5.50            #peak    77
 13 PHD  QD     13 PHD  QE      8.08            #peak    78
 14 TRP  HE1    14 TRP  HD1     4.91            #peak    79
  2 TRP  HE1     2 TRP  HD1     3.92            #peak    80
  8 PRO  HG2     8 PRO  HA      5.50            #peak    84
 10 HYP  HG     10 HYP  HD2     4.63            #peak    95
 10 HYP  HD3    10 HYP  HD2     2.40            #peak    96
 10 HYP  HD2    10 HYP  HD3     2.40            #peak    97
  7 HIS  H       8 PRO  HD2     5.04            #peak   100
  7 HIS  H       8 PRO  HD3     5.38            #peak   101
  8 PRO  HD3     8 PRO  HD2     2.43            #peak   102
  8 PRO  HD2     8 PRO  HD3     2.40            #peak   103
  2 TRP  QB      2 TRP  HD1     6.10            #peak   109
  7 HIS  HB2     7 HIS  HD2     5.44            #peak   110
  5 HIS  HB2    14 TRP  HZ3     4.57            #peak   111
  5 HIS  HB3    14 TRP  HZ3     4.45            #peak   112
  5 HIS  HB3     5 HIS  HB2     2.40            #peak   114
  5 HIS  HB2     5 HIS  HB3     2.40            #peak   115
  2 TRP  QB      2 TRP  HE3     6.38            #peak   116
  4 TYR  QD      4 TYR  HB2     5.02            #peak   123
  4 TYR  QD      4 TYR  HB3     5.21            #peak   124
  3 GLU  HB3     3 GLU  QG      4.93            #peak   130
  3 GLU  HB2     3 GLU  QG      4.71            #peak   131
  8 PRO  HG2     8 PRO  HB2     2.40            #peak   132
 10 HYP  HG     10 HYP  QB      3.56            #peak   133
  8 PRO  HG3     8 PRO  HB2     2.66            #peak   134
 10 HYP  QB     10 HYP  HG      3.53            #peak   135
  8 PRO  HB2     8 PRO  HG3     3.14            #peak   136
  8 PRO  HB2     8 PRO  HG2     2.40            #peak   137
  8 PRO  HD3     8 PRO  HG2     3.00            #peak   138
  8 PRO  HD3     8 PRO  HG3     3.05            #peak   139
  8 PRO  HD2     8 PRO  HG2     4.10            #peak   140
  8 PRO  HD2     8 PRO  HG3     2.90            #peak   141
 10 HYP  HD3    10 HYP  HG      3.58            #peak   142
 10 HYP  HD2    10 HYP  HG      4.20            #peak   143
  8 PRO  HD2     8 PRO  HB2     4.26            #peak   144
 10 HYP  HD3    10 HYP  QB      6.39            #peak   145
 10 HYP  HD2    10 HYP  QB      6.39            #peak   146
  8 PRO  HA      8 PRO  HG3     4.17            #peak   148
  8 PRO  HA      8 PRO  HG2     3.67            #peak   149
  3 GLU  QG      4 TYR  H       6.38            #peak   150
 10 HYP  HG     12 SER  H       5.31            #peak   151
 10 HYP  HG     11 ASN  H       4.63            #peak   154
  8 PRO  HG3     9 LYS  H       5.47            #peak   155
  8 PRO  HG2     9 LYS  H       4.51            #peak   156
  9 LYS  HB2    10 HYP  HD2     5.13            #peak   165
  9 LYS  HB2    10 HYP  HD3     4.42            #peak   166
  9 LYS  HB3    10 HYP  HD3     4.85            #peak   167
  9 LYS  QD      9 LYS  QE      7.26            #peak   168
  9 LYS  HB2     9 LYS  QG      4.65            #peak   169
  9 LYS  HB3     9 LYS  QG      3.28            #peak   170
  9 LYS  QG      9 LYS  QD      5.00            #peak   171
  4 TYR  HA      4 TYR  QD      6.36            #peak   182
  4 TYR  QE      6 ALA  HA      7.63            #peak   183
  4 TYR  HA      4 TYR  QE      7.63            #peak   184
 14 TRP  HB2    14 TRP  HZ3     5.50            #peak   185
 14 TRP  HB3    14 TRP  HZ3     5.85            #peak   186
  2 TRP  QB      2 TRP  HD1     5.73            #peak   187
  5 HIS  HB3    14 TRP  HZ3     5.04            #peak   188
 13 PHD  HB2    13 PHD  QD      4.58            #peak   189
 11 ASN  QB     13 PHD  QD      5.46            #peak   190
 14 TRP  HE3    14 TRP  HZ3     3.21            #peak   191
  2 TRP  HH2     2 TRP  HZ3     5.31            #peak   192
  2 TRP  HZ2     2 TRP  HH2     2.83            #peak   193
  2 TRP  HH2     2 TRP  HZ2     2.59            #peak   194
  2 TRP  HZ3     2 TRP  HH2     4.60            #peak   195
 13 PHD  QE     13 PHD  QD      5.11            #peak   196
  4 TYR  QE      4 TYR  QD      6.22            #peak   197
  4 TYR  QD      4 TYR  QE      6.13            #peak   198
  4 TYR  H       4 TYR  QD      6.63            #peak   199
  4 TYR  QD      5 HIS  H       6.63            #peak   200
 13 PHD  H      13 PHD  QD      6.68            #peak   201
  4 TYR  QE      6 ALA  H       6.63            #peak   202
  2 TRP  H       2 TRP  HD1     5.50            #peak   203
 14 TRP  H      14 TRP  HD1     5.50            #peak   204
  2 TRP  HD1     3 GLU  H       5.50            #peak   205
  2 TRP  HZ3     2 TRP  HE3     3.11            #peak   206
 14 TRP  HZ3    14 TRP  HE3     3.05            #peak   207
  4 TYR  HB2     4 TYR  QD      4.96            #peak   209
  4 TYR  HB3     4 TYR  QD      5.12            #peak   210
 14 TRP  HB3    14 TRP  HB2     2.40            #peak   213
 14 TRP  HB2    14 TRP  HB3     2.40            #peak   214
  8 PRO  HD3     8 PRO  HB2     5.38            #peak   215
  9 LYS  HB3    10 HYP  HD2     5.50            #peak   216
  9 LYS  HA      9 LYS  QG      6.35            #peak   217
  9 LYS  H       9 LYS  QG      6.38            #peak   218
  8 PRO  HB2     8 PRO  HD3     5.41            #peak   220
  8 PRO  HB2     8 PRO  HD2     4.97            #peak   221
  8 PRO  HG3     8 PRO  HD2     3.24            #peak   222
  9 LYS  HB2    10 HYP  HD3     4.82            #peak   223
 10 HYP  HG     10 HYP  HD3     3.98            #peak   224
  8 PRO  HG3     8 PRO  HD3     3.21            #peak   225
 14 TRP  HB2    14 TRP  HZ3     4.80            #peak   228
  6 ALA  QB      7 HIS  H       5.12            #peak    25
  6 ALA  H       6 ALA  QB      4.16            #peak    44
  6 ALA  QB      7 HIS  HD2     6.52            #peak    74
 15 THR  QG2    15 THR  HB      5.62            #peak    83
  6 ALA  QB      7 HIS  H       5.15            #peak   172
  6 ALA  H       6 ALA  QB      4.16            #peak   173
  4 TYR  QE      6 ALA  QB      8.65            #peak   174
  6 ALA  QB      7 HIS  HA      6.52            #peak   175
  5 HIS  HA      6 ALA  QB      6.24            #peak   176
  6 ALA  HA      6 ALA  QB      4.35            #peak   177
  5 HIS  HB2     6 ALA  QB      6.49            #peak   178
  6 ALA  QB      9 LYS  QE      6.40            #peak   179
  4 TYR  QE      6 ALA  QB      6.65            #peak   181
  4 TYR  QD      6 ALA  QB      6.65            #peak   226
# D2O 
  7 HIS  HA      7 HIS  HB2     3.95 6.00E-01   #peak     8
 10 HYP  QB     13 PHD  HA      3.75 6.00E-01   #peak    14
  7 HIS  HA      8 PRO  HD3     4.23 6.00E-01   #peak     1
  7 HIS  HA      8 PRO  HD2     4.10 6.00E-01   #peak     2
 10 HYP  HD2    13 PHD  HA      2.46 6.00E-01   #peak     3
 10 HYP  HD3    13 PHD  HA      4.85 6.00E-01   #peak     4
  8 PRO  HD2     8 PRO  HD3     3.21 6.00E-01   #peak     5
  7 HIS  HA      8 PRO  HD3     4.26 6.00E-01   #peak     6
  7 HIS  HA      8 PRO  HD2     4.23 6.00E-01   #peak     7
  4 TYR  HA      4 TYR  QD      7.63 6.00E-01   #peak     9
  2 TRP  QB      2 TRP  HD1     6.38 6.00E-01   #peak    10
  2 TRP  QB      2 TRP  HE3     6.38 6.00E-01   #peak    11
  4 TYR  QE      6 ALA  HA      7.63 6.00E-01   #peak    12
 10 HYP  HG     13 PHD  HA      4.26 6.00E-01   #peak    13
  9 LYS  QG     10 HYP  HA      6.38 6.00E-01   #peak    15
  8 PRO  HG3     8 PRO  HD2     4.01 6.00E-01   #peak    16
  8 PRO  HG3     8 PRO  HD3     4.20 6.00E-01   #peak    17

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP   1           1H       ASP   1   2.113  -0.319   1.119
    2    H2   ASP   1           2H       ASP   1   0.620  -0.424   0.460
    3    H3   ASP   1           3H       ASP   1   1.297   1.049   0.697
    4    HA   ASP   1           HA       ASP   1   1.350   0.372  -1.630
    5    HB2  ASP   1           1HB      ASP   1   4.050   0.696  -0.274
    6    HB3  ASP   1           2HB      ASP   1   3.771   0.797  -2.018
    7    H    TRP   2           H        TRP   2   0.504  -1.833  -1.755
    8    HA   TRP   2           HA       TRP   2   2.639  -3.890  -1.975
    9    HB2  TRP   2           1HB      TRP   2   1.094  -4.553  -0.221
   10    HB3  TRP   2           2HB      TRP   2  -0.292  -4.216  -1.252
   11    HD1  TRP   2           HD1      TRP   2  -1.367  -6.406  -1.869
   12    HE1  TRP   2           HE1      TRP   2  -0.646  -8.734  -2.613
   13    HE3  TRP   2           HE3      TRP   2   3.721  -5.776  -1.671
   14    HZ2  TRP   2           HZ2      TRP   2   1.835 -10.177  -3.036
   15    HZ3  TRP   2           HZ3      TRP   2   5.231  -7.651  -2.230
   16    HH2  TRP   2           HH2      TRP   2   4.306  -9.857  -2.902
   17    H    GLU   3           H        GLU   3   3.083  -4.166  -4.016
   18    HA   GLU   3           HA       GLU   3   0.988  -3.869  -6.106
   19    HB2  GLU   3           1HB      GLU   3   2.967  -2.347  -6.312
   20    HB3  GLU   3           2HB      GLU   3   4.023  -3.763  -6.399
   21    HG2  GLU   3           1HG      GLU   3   2.902  -4.483  -8.479
   22    HG3  GLU   3           2HG      GLU   3   1.744  -3.160  -8.337
   23    H    TYR   4           H        TYR   4   0.418  -5.742  -7.128
   24    HA   TYR   4           HA       TYR   4   1.254  -8.307  -6.217
   25    HB2  TYR   4           1HB      TYR   4  -0.932  -7.815  -7.209
   26    HB3  TYR   4           2HB      TYR   4  -0.171  -7.387  -8.733
   27    HD1  TYR   4           HD1      TYR   4  -0.179 -10.306  -6.322
   28    HD2  TYR   4           HD2      TYR   4  -0.299  -8.989 -10.431
   29    HE1  TYR   4           HE1      TYR   4  -0.366 -12.659  -7.065
   30    HE2  TYR   4           HE2      TYR   4  -0.506 -11.339 -11.184
   31    HH   TYR   4           HH       TYR   4  -0.560 -14.106  -8.880
   32    H    HIS   5           H        HIS   5   2.404  -9.947  -7.462
   33    HA   HIS   5           HA       HIS   5   4.464  -8.901  -9.340
   34    HB2  HIS   5           1HB      HIS   5   6.027 -10.478  -8.381
   35    HB3  HIS   5           2HB      HIS   5   5.471  -9.326  -7.153
   36    HD2  HIS   5           HD2      HIS   5   3.701 -10.294  -5.275
   37    HE1  HIS   5           HE1      HIS   5   4.585 -14.404  -5.925
   38    HE2  HIS   5           HE2      HIS   5   3.449 -12.743  -4.363
   39    H    ALA   6           H        ALA   6   5.043 -10.327 -11.027
   40    HA   ALA   6           HA       ALA   6   2.961 -12.090 -11.941
   41    HB1  ALA   6           3HB      ALA   6   4.300 -10.801 -13.547
   42    HB2  ALA   6           1HB      ALA   6   5.790 -11.577 -12.979
   43    HB3  ALA   6           2HB      ALA   6   4.553 -12.528 -13.823
   44    H    HIS   7           H        HIS   7   3.185 -14.312 -12.349
   45    HA   HIS   7           HA       HIS   7   4.713 -15.826 -10.359
   46    HB2  HIS   7           1HB      HIS   7   2.556 -16.640 -10.588
   47    HB3  HIS   7           2HB      HIS   7   2.545 -16.519 -12.335
   48    HD1  HIS   7           HD1      HIS   7   4.738 -18.628  -9.847
   49    HD2  HIS   7           HD2      HIS   7   2.593 -18.814 -13.470
   50    HE1  HIS   7           HE1      HIS   7   4.995 -21.003 -10.714
   51    HA   PRO   8           HA       PRO   8   6.936 -17.709 -14.022
   52    HB2  PRO   8           1HB      PRO   8   6.610 -17.067 -16.627
   53    HB3  PRO   8           2HB      PRO   8   5.424 -18.077 -15.736
   54    HG2  PRO   8           1HG      PRO   8   5.343 -15.083 -16.202
   55    HG3  PRO   8           2HG      PRO   8   4.053 -16.278 -16.579
   56    HD2  PRO   8           1HD      PRO   8   4.035 -14.853 -14.277
   57    HD3  PRO   8           2HD      PRO   8   3.566 -16.586 -14.292
   58    H    LYS   9           H        LYS   9   6.686 -14.175 -14.194
   59    HA   LYS   9           HA       LYS   9   9.593 -13.988 -14.768
   60    HB2  LYS   9           1HB      LYS   9   7.301 -12.636 -15.951
   61    HB3  LYS   9           2HB      LYS   9   8.175 -11.484 -15.009
   62    HG2  LYS   9           1HG      LYS   9   9.419 -11.180 -16.856
   63    HG3  LYS   9           2HG      LYS   9  10.264 -12.657 -16.421
   64    HD2  LYS   9           1HD      LYS   9   7.858 -12.424 -18.280
   65    HD3  LYS   9           2HD      LYS   9   9.524 -12.595 -18.807
   66    HE2  LYS   9           1HE      LYS   9   8.072 -14.678 -17.106
   67    HE3  LYS   9           2HE      LYS   9   8.084 -14.694 -18.872
   68    HZ1  LYS   9           3HZ      LYS   9  10.494 -14.907 -17.173
   69    HZ2  LYS   9           1HZ      LYS   9  10.487 -14.890 -18.814
   70    HZ3  LYS   9           2HZ      LYS   9   9.788 -16.121 -18.002
   71    HA   HYP  10           HA       HYP  10   9.735 -12.092 -10.709
   72    HB2  HYP  10           1HB      HYP  10  11.865 -10.380 -10.906
   73    HB3  HYP  10           2HB      HYP  10  12.034 -12.166 -10.896
   74    HG   HYP  10           HG       HYP  10  12.139 -10.231 -13.178
   75   HD22  HYP  10          1HD       HYP  10  10.755 -11.397 -14.524
   76   HD23  HYP  10          2HD       HYP  10  11.408 -12.982 -14.020
   77    HD1  HYP  10           HOD      HYP  10  13.689 -11.715 -13.892
   78    H    ASN  11           H        ASN  11   9.891  -9.853  -9.685
   79    HA   ASN  11           HA       ASN  11   7.598  -8.395 -10.185
   80    HB2  ASN  11           1HB      ASN  11  10.144  -7.630  -8.689
   81    HB3  ASN  11           2HB      ASN  11   8.678  -6.657  -8.679
   82   HD21  ASN  11          1HD2      ASN  11   7.878  -6.858  -6.596
   83   HD22  ASN  11          2HD2      ASN  11   7.591  -8.387  -5.800
   84    H    SER  12           H        SER  12  10.671  -6.607 -10.269
   85    HA   SER  12           HA       SER  12   9.860  -4.645 -12.049
   86    HB2  SER  12           1HB      SER  12  12.724  -5.590 -11.694
   87    HB3  SER  12           2HB      SER  12  12.137  -3.936 -11.937
   88    HG   SER  12           HG       SER  12  12.698  -4.344  -9.736
   89    H    DPN  13           H        DPN  13  10.848  -7.862 -12.705
   90    HA   DPN  13           HA       DPN  13  10.632  -9.121 -14.474
   91    HB2  DPN  13           1HB      DPN  13  12.925  -8.886 -14.625
   92    HB3  DPN  13           2HB      DPN  13  12.331  -8.733 -16.254
   93    HD1  DPN  13           HD1      DPN  13  12.767  -6.698 -17.529
   94    HD2  DPN  13           HD2      DPN  13  13.756  -6.910 -13.336
   95    HE1  DPN  13           HE1      DPN  13  14.081  -4.603 -17.734
   96    HE2  DPN  13           HE2      DPN  13  15.076  -4.814 -13.546
   97    HZ   DPN  13           HZ       DPN  13  15.234  -3.653 -15.742
   98    H    TRP  14           H        TRP  14   8.618  -6.977 -14.442
   99    HA   TRP  14           HA       TRP  14   7.400  -7.442 -16.981
  100    HB2  TRP  14           1HB      TRP  14   6.943  -5.629 -14.627
  101    HB3  TRP  14           2HB      TRP  14   6.137  -5.207 -16.128
  102    HD1  TRP  14           HD1      TRP  14   4.923  -7.716 -17.256
  103    HE1  TRP  14           HE1      TRP  14   3.053  -8.961 -16.043
  104    HE3  TRP  14           HE3      TRP  14   5.871  -6.081 -12.526
  105    HZ2  TRP  14           HZ2      TRP  14   2.017  -9.136 -13.310
  106    HZ3  TRP  14           HZ3      TRP  14   4.501  -6.795 -10.656
  107    HH2  TRP  14           HH2      TRP  14   2.509  -8.298 -11.015
  108    H    THR  15           H        THR  15   9.828  -5.046 -16.083
  109    HA   THR  15           HA       THR  15   9.023  -3.020 -17.940
  110    HB   THR  15           HB       THR  15  11.678  -3.557 -16.557
  111    HG1  THR  15           HG1      THR  15  10.862  -2.282 -14.989
  112   HG21  THR  15          3HG2      THR  15  12.094  -1.112 -16.893
  113   HG22  THR  15          1HG2      THR  15  10.658  -1.030 -17.942
  114   HG23  THR  15          2HG2      THR  15  12.065  -2.008 -18.416
  Start of MODEL    2
    1    H1   ASP   1           1H       ASP   1   5.702  -0.910  -1.249
    2    H2   ASP   1           2H       ASP   1   4.252  -0.564  -0.569
    3    H3   ASP   1           3H       ASP   1   5.007   0.558  -1.518
    4    HA   ASP   1           HA       ASP   1   3.161  -0.523  -2.657
    5    HB2  ASP   1           1HB      ASP   1   5.943  -0.942  -3.808
    6    HB3  ASP   1           2HB      ASP   1   4.445  -1.149  -4.715
    7    H    TRP   2           H        TRP   2   1.972  -2.369  -2.557
    8    HA   TRP   2           HA       TRP   2   3.387  -4.958  -2.141
    9    HB2  TRP   2           1HB      TRP   2   1.655  -5.642  -0.660
   10    HB3  TRP   2           2HB      TRP   2   2.252  -4.102  -0.093
   11    HD1  TRP   2           HD1      TRP   2   0.576  -1.930  -0.625
   12    HE1  TRP   2           HE1      TRP   2  -1.969  -1.789  -0.641
   13    HE3  TRP   2           HE3      TRP   2  -0.501  -6.921  -1.081
   14    HZ2  TRP   2           HZ2      TRP   2  -4.218  -3.617  -0.845
   15    HZ3  TRP   2           HZ3      TRP   2  -2.852  -7.690  -1.174
   16    HH2  TRP   2           HH2      TRP   2  -4.718  -6.050  -1.063
   17    H    GLU   3           H        GLU   3   2.685  -3.743  -4.652
   18    HA   GLU   3           HA       GLU   3   0.252  -4.754  -5.732
   19    HB2  GLU   3           1HB      GLU   3   1.750  -2.887  -6.631
   20    HB3  GLU   3           2HB      GLU   3   2.795  -4.149  -7.294
   21    HG2  GLU   3           1HG      GLU   3   0.856  -5.016  -8.617
   22    HG3  GLU   3           2HG      GLU   3  -0.173  -3.773  -7.917
   23    H    TYR   4           H        TYR   4  -0.136  -6.592  -7.039
   24    HA   TYR   4           HA       TYR   4   0.941  -9.020  -6.187
   25    HB2  TYR   4           1HB      TYR   4  -1.257  -8.766  -7.198
   26    HB3  TYR   4           2HB      TYR   4  -0.525  -8.282  -8.725
   27    HD1  TYR   4           HD1      TYR   4  -0.574 -11.176  -6.311
   28    HD2  TYR   4           HD2      TYR   4  -0.212  -9.881 -10.412
   29    HE1  TYR   4           HE1      TYR   4  -0.574 -13.539  -7.052
   30    HE2  TYR   4           HE2      TYR   4  -0.225 -12.239 -11.166
   31    HH   TYR   4           HH       TYR   4  -0.475 -14.998  -8.866
   32    H    HIS   5           H        HIS   5   2.339 -10.466  -7.021
   33    HA   HIS   5           HA       HIS   5   4.347  -9.557  -9.029
   34    HB2  HIS   5           1HB      HIS   5   5.889 -11.122  -7.956
   35    HB3  HIS   5           2HB      HIS   5   5.319  -9.893  -6.812
   36    HD2  HIS   5           HD2      HIS   5   5.377 -13.668  -7.397
   37    HE1  HIS   5           HE1      HIS   5   3.128 -13.090  -3.830
   38    HE2  HIS   5           HE2      HIS   5   4.244 -14.821  -5.332
   39    H    ALA   6           H        ALA   6   4.768 -10.943 -10.762
   40    HA   ALA   6           HA       ALA   6   2.805 -13.035 -11.328
   41    HB1  ALA   6           3HB      ALA   6   4.110 -13.255 -13.461
   42    HB2  ALA   6           1HB      ALA   6   3.524 -11.612 -13.172
   43    HB3  ALA   6           2HB      ALA   6   5.230 -12.010 -12.874
   44    H    HIS   7           H        HIS   7   3.453 -15.197 -11.806
   45    HA   HIS   7           HA       HIS   7   5.508 -16.274 -10.020
   46    HB2  HIS   7           1HB      HIS   7   3.566 -17.550  -9.994
   47    HB3  HIS   7           2HB      HIS   7   3.349 -17.501 -11.733
   48    HD1  HIS   7           HD1      HIS   7   6.222 -18.950  -9.475
   49    HD2  HIS   7           HD2      HIS   7   3.817 -19.768 -12.837
   50    HE1  HIS   7           HE1      HIS   7   6.947 -21.226 -10.341
   51    HA   PRO   8           HA       PRO   8   7.635 -17.753 -13.926
   52    HB2  PRO   8           1HB      PRO   8   6.908 -17.175 -16.474
   53    HB3  PRO   8           2HB      PRO   8   6.094 -18.442 -15.502
   54    HG2  PRO   8           1HG      PRO   8   5.262 -15.553 -15.863
   55    HG3  PRO   8           2HG      PRO   8   4.257 -17.017 -16.137
   56    HD2  PRO   8           1HD      PRO   8   4.143 -15.651 -13.808
   57    HD3  PRO   8           2HD      PRO   8   4.120 -17.445 -13.816
   58    H    LYS   9           H        LYS   9   6.540 -14.366 -14.129
   59    HA   LYS   9           HA       LYS   9   9.155 -13.548 -15.252
   60    HB2  LYS   9           1HB      LYS   9   7.001 -12.981 -16.375
   61    HB3  LYS   9           2HB      LYS   9   6.598 -11.922 -15.007
   62    HG2  LYS   9           1HG      LYS   9   8.710 -10.616 -15.523
   63    HG3  LYS   9           2HG      LYS   9   8.978 -11.699 -16.904
   64    HD2  LYS   9           1HD      LYS   9   6.456 -10.929 -17.515
   65    HD3  LYS   9           2HD      LYS   9   6.880  -9.580 -16.468
   66    HE2  LYS   9           1HE      LYS   9   7.414  -8.840 -18.644
   67    HE3  LYS   9           2HE      LYS   9   8.972  -9.264 -17.929
   68    HZ1  LYS   9           3HZ      LYS   9   8.857 -11.376 -19.141
   69    HZ2  LYS   9           1HZ      LYS   9   8.756 -10.114 -20.171
   70    HZ3  LYS   9           2HZ      LYS   9   7.412 -10.958 -19.793
   71    HA   HYP  10           HA       HYP  10   9.914 -12.064 -11.086
   72    HB2  HYP  10           1HB      HYP  10  12.257 -10.684 -11.471
   73    HB3  HYP  10           2HB      HYP  10  12.143 -12.474 -11.459
   74    HG   HYP  10           HG       HYP  10  12.327 -10.577 -13.774
   75   HD22  HYP  10          1HD       HYP  10  10.718 -11.577 -15.008
   76   HD23  HYP  10          2HD       HYP  10  11.121 -13.224 -14.438
   77    HD1  HYP  10           HOD      HYP  10  13.577 -12.276 -14.597
   78    H    ASN  11           H        ASN  11  10.395  -9.960  -9.996
   79    HA   ASN  11           HA       ASN  11   8.274  -8.214 -10.333
   80    HB2  ASN  11           1HB      ASN  11  10.933  -7.864  -8.896
   81    HB3  ASN  11           2HB      ASN  11   9.614  -6.703  -8.760
   82   HD21  ASN  11          1HD2      ASN  11  10.963  -9.287  -7.147
   83   HD22  ASN  11          2HD2      ASN  11   9.547  -9.861  -6.301
   84    H    SER  12           H        SER  12  11.574  -6.871 -10.505
   85    HA   SER  12           HA       SER  12  10.921  -4.703 -12.116
   86    HB2  SER  12           1HB      SER  12  13.644  -6.045 -12.014
   87    HB3  SER  12           2HB      SER  12  13.280  -4.318 -12.175
   88    HG   SER  12           HG       SER  12  13.922  -4.861 -10.030
   89    H    DPN  13           H        DPN  13  11.432  -7.985 -12.991
   90    HA   DPN  13           HA       DPN  13  10.898  -9.103 -14.820
   91    HB2  DPN  13           1HB      DPN  13  13.184  -9.184 -15.123
   92    HB3  DPN  13           2HB      DPN  13  12.517  -8.826 -16.690
   93    HD1  DPN  13           HD1      DPN  13  14.350  -7.447 -13.757
   94    HD2  DPN  13           HD2      DPN  13  13.157  -6.761 -17.850
   95    HE1  DPN  13           HE1      DPN  13  15.975  -5.571 -13.925
   96    HE2  DPN  13           HE2      DPN  13  14.772  -4.885 -18.005
   97    HZ   DPN  13           HZ       DPN  13  16.186  -4.288 -16.046
   98    H    TRP  14           H        TRP  14   9.128  -6.891 -14.479
   99    HA   TRP  14           HA       TRP  14   7.801  -6.961 -17.008
  100    HB2  TRP  14           1HB      TRP  14   7.433  -5.584 -14.365
  101    HB3  TRP  14           2HB      TRP  14   6.561  -4.921 -15.737
  102    HD1  TRP  14           HD1      TRP  14   5.304  -7.172 -17.239
  103    HE1  TRP  14           HE1      TRP  14   3.531  -8.686 -16.199
  104    HE3  TRP  14           HE3      TRP  14   6.470  -6.452 -12.330
  105    HZ2  TRP  14           HZ2      TRP  14   2.637  -9.398 -13.512
  106    HZ3  TRP  14           HZ3      TRP  14   5.177  -7.510 -10.567
  107    HH2  TRP  14           HH2      TRP  14   3.207  -8.979 -11.125
  108    H    THR  15           H        THR  15  10.407  -4.861 -16.020
  109    HA   THR  15           HA       THR  15   9.428  -2.565 -17.512
  110    HB   THR  15           HB       THR  15  11.641  -1.572 -17.038
  111    HG1  THR  15           HG1      THR  15  12.079  -3.932 -15.503
  112   HG21  THR  15          3HG2      THR  15  11.234  -1.265 -14.639
  113   HG22  THR  15          1HG2      THR  15  10.160  -2.682 -14.613
  114   HG23  THR  15          2HG2      THR  15   9.715  -1.238 -15.545
  Start of MODEL    3
    1    H1   ASP   1           1H       ASP   1   5.581  -3.308  -0.958
    2    H2   ASP   1           2H       ASP   1   4.857  -3.248   0.500
    3    H3   ASP   1           3H       ASP   1   5.641  -1.922  -0.072
    4    HA   ASP   1           HA       ASP   1   3.255  -1.666  -0.250
    5    HB2  ASP   1           1HB      ASP   1   4.810  -0.601  -1.923
    6    HB3  ASP   1           2HB      ASP   1   4.534  -1.987  -2.991
    7    H    TRP   2           H        TRP   2   1.239  -2.386  -1.414
    8    HA   TRP   2           HA       TRP   2   1.057  -5.263  -1.195
    9    HB2  TRP   2           1HB      TRP   2  -1.327  -4.907  -1.240
   10    HB3  TRP   2           2HB      TRP   2  -0.615  -3.691  -0.204
   11    HD1  TRP   2           HD1      TRP   2  -0.486  -1.139  -1.276
   12    HE1  TRP   2           HE1      TRP   2  -2.021   0.066  -2.908
   13    HE3  TRP   2           HE3      TRP   2  -2.932  -5.203  -3.232
   14    HZ2  TRP   2           HZ2      TRP   2  -4.065  -0.632  -4.849
   15    HZ3  TRP   2           HZ3      TRP   2  -4.667  -4.896  -4.970
   16    HH2  TRP   2           HH2      TRP   2  -5.241  -2.620  -5.790
   17    H    GLU   3           H        GLU   3   2.416  -4.025  -3.545
   18    HA   GLU   3           HA       GLU   3   0.838  -4.546  -5.912
   19    HB2  GLU   3           1HB      GLU   3   2.665  -2.893  -5.848
   20    HB3  GLU   3           2HB      GLU   3   3.846  -4.180  -5.572
   21    HG2  GLU   3           1HG      GLU   3   3.356  -5.136  -7.778
   22    HG3  GLU   3           2HG      GLU   3   2.031  -3.993  -8.017
   23    H    TYR   4           H        TYR   4   0.623  -6.422  -7.030
   24    HA   TYR   4           HA       TYR   4   1.388  -8.920  -5.861
   25    HB2  TYR   4           1HB      TYR   4  -0.691  -8.514  -7.095
   26    HB3  TYR   4           2HB      TYR   4   0.218  -8.193  -8.564
   27    HD1  TYR   4           HD2      TYR   4  -0.097 -10.903  -5.943
   28    HD2  TYR   4           HD1      TYR   4   0.316  -9.935 -10.130
   29    HE1  TYR   4           HE2      TYR   4  -0.264 -13.309  -6.512
   30    HE2  TYR   4           HE1      TYR   4   0.129 -12.332 -10.710
   31    HH   TYR   4           HH       TYR   4  -0.148 -14.502  -9.908
   32    H    HIS   5           H        HIS   5   2.734 -10.539  -6.772
   33    HA   HIS   5           HA       HIS   5   4.872  -9.635  -8.641
   34    HB2  HIS   5           1HB      HIS   5   6.362 -11.203  -7.588
   35    HB3  HIS   5           2HB      HIS   5   5.773 -10.042  -6.385
   36    HD2  HIS   5           HD2      HIS   5   3.922 -11.022  -4.565
   37    HE1  HIS   5           HE1      HIS   5   4.786 -15.132  -5.243
   38    HE2  HIS   5           HE2      HIS   5   3.607 -13.480  -3.704
   39    H    ALA   6           H        ALA   6   5.243 -11.002 -10.392
   40    HA   ALA   6           HA       ALA   6   3.182 -13.016 -10.966
   41    HB1  ALA   6           3HB      ALA   6   5.505 -11.917 -12.613
   42    HB2  ALA   6           1HB      ALA   6   4.350 -13.138 -13.183
   43    HB3  ALA   6           2HB      ALA   6   3.784 -11.510 -12.781
   44    H    HIS   7           H        HIS   7   3.731 -15.166 -11.497
   45    HA   HIS   7           HA       HIS   7   5.908 -16.315  -9.923
   46    HB2  HIS   7           1HB      HIS   7   3.938 -17.537  -9.757
   47    HB3  HIS   7           2HB      HIS   7   3.591 -17.469 -11.473
   48    HD1  HIS   7           HD1      HIS   7   6.573 -19.016  -9.434
   49    HD2  HIS   7           HD2      HIS   7   3.920 -19.734 -12.629
   50    HE1  HIS   7           HE1      HIS   7   7.166 -21.307 -10.359
   51    HA   PRO   8           HA       PRO   8   7.685 -17.779 -14.001
   52    HB2  PRO   8           1HB      PRO   8   6.775 -17.148 -16.478
   53    HB3  PRO   8           2HB      PRO   8   6.028 -18.422 -15.462
   54    HG2  PRO   8           1HG      PRO   8   5.192 -15.527 -15.731
   55    HG3  PRO   8           2HG      PRO   8   4.158 -16.983 -15.922
   56    HD2  PRO   8           1HD      PRO   8   4.258 -15.613 -13.588
   57    HD3  PRO   8           2HD      PRO   8   4.200 -17.407 -13.599
   58    H    LYS   9           H        LYS   9   6.566 -14.375 -14.323
   59    HA   LYS   9           HA       LYS   9   9.160 -13.582 -15.479
   60    HB2  LYS   9           1HB      LYS   9   7.082 -12.895 -16.521
   61    HB3  LYS   9           2HB      LYS   9   6.575 -12.034 -15.051
   62    HG2  LYS   9           1HG      LYS   9   8.586 -10.564 -15.282
   63    HG3  LYS   9           2HG      LYS   9   9.011 -11.393 -16.782
   64    HD2  LYS   9           1HD      LYS   9   6.446  -9.795 -16.314
   65    HD3  LYS   9           2HD      LYS   9   7.913  -9.194 -17.070
   66    HE2  LYS   9           1HE      LYS   9   6.666  -9.675 -18.924
   67    HE3  LYS   9           2HE      LYS   9   7.671 -11.116 -18.783
   68    HZ1  LYS   9           3HZ      LYS   9   5.755 -12.237 -17.772
   69    HZ2  LYS   9           1HZ      LYS   9   5.363 -11.642 -19.240
   70    HZ3  LYS   9           2HZ      LYS   9   4.850 -10.872 -17.896
   71    HA   HYP  10           HA       HYP  10  10.281 -12.271 -11.333
   72    HB2  HYP  10           1HB      HYP  10  12.591 -10.881 -11.867
   73    HB3  HYP  10           2HB      HYP  10  12.473 -12.673 -11.909
   74    HG   HYP  10           HG       HYP  10  12.440 -10.679 -14.147
   75   HD22  HYP  10          1HD       HYP  10  10.771 -11.686 -15.301
   76   HD23  HYP  10          2HD       HYP  10  11.226 -13.337 -14.774
   77    HD1  HYP  10           HOD      HYP  10  13.640 -12.326 -15.149
   78    H    ASN  11           H        ASN  11  10.892 -10.211 -10.203
   79    HA   ASN  11           HA       ASN  11   8.818  -8.377 -10.309
   80    HB2  ASN  11           1HB      ASN  11  11.608  -8.172  -9.115
   81    HB3  ASN  11           2HB      ASN  11  10.363  -6.958  -8.837
   82   HD21  ASN  11          1HD2      ASN  11  11.752  -9.524  -7.316
   83   HD22  ASN  11          2HD2      ASN  11  10.390 -10.097  -6.384
   84    H    SER  12           H        SER  12  12.160  -7.210 -10.784
   85    HA   SER  12           HA       SER  12  11.462  -4.946 -12.232
   86    HB2  SER  12           1HB      SER  12  14.105  -6.422 -12.473
   87    HB3  SER  12           2HB      SER  12  13.820  -4.674 -12.522
   88    HG   SER  12           HG       SER  12  14.648  -5.346 -10.482
   89    H    DPN  13           H        DPN  13  11.744  -8.210 -13.284
   90    HA   DPN  13           HA       DPN  13  10.935  -9.210 -15.077
   91    HB2  DPN  13           1HB      DPN  13  13.159  -9.416 -15.654
   92    HB3  DPN  13           2HB      DPN  13  12.352  -8.931 -17.116
   93    HD1  DPN  13           HD1      DPN  13  14.524  -7.783 -14.302
   94    HD2  DPN  13           HD2      DPN  13  13.073  -6.912 -18.277
   95    HE1  DPN  13           HE1      DPN  13  16.263  -6.023 -14.561
   96    HE2  DPN  13           HE2      DPN  13  14.806  -5.154 -18.522
   97    HZ   DPN  13           HZ       DPN  13  16.404  -4.707 -16.669
   98    H    TRP  14           H        TRP  14   9.306  -7.008 -14.452
   99    HA   TRP  14           HA       TRP  14   7.704  -6.916 -16.789
  100    HB2  TRP  14           1HB      TRP  14   7.696  -5.653 -14.077
  101    HB3  TRP  14           2HB      TRP  14   6.733  -4.851 -15.306
  102    HD1  TRP  14           HD1      TRP  14   5.194  -6.923 -16.803
  103    HE1  TRP  14           HE1      TRP  14   3.429  -8.385 -15.674
  104    HE3  TRP  14           HE3      TRP  14   6.905  -6.621 -12.012
  105    HZ2  TRP  14           HZ2      TRP  14   2.775  -9.234 -12.957
  106    HZ3  TRP  14           HZ3      TRP  14   5.732  -7.717 -10.191
  107    HH2  TRP  14           HH2      TRP  14   3.611  -9.010 -10.624
  108    H    THR  15           H        THR  15  10.472  -4.859 -16.078
  109    HA   THR  15           HA       THR  15   9.971  -3.347 -18.471
  110    HB   THR  15           HB       THR  15   8.324  -2.259 -17.085
  111    HG1  THR  15           HG1      THR  15   9.201  -0.949 -18.571
  112   HG21  THR  15          3HG2      THR  15   9.331  -2.548 -14.826
  113   HG22  THR  15          1HG2      THR  15   8.756  -0.913 -15.169
  114   HG23  THR  15          2HG2      THR  15  10.491  -1.258 -15.216
  Start of MODEL    4
    1    H1   ASP   1           1H       ASP   1   3.795  -0.153  -0.473
    2    H2   ASP   1           2H       ASP   1   2.606  -0.542   0.587
    3    H3   ASP   1           3H       ASP   1   2.758   1.006   0.057
    4    HA   ASP   1           HA       ASP   1   0.931   0.003  -1.041
    5    HB2  ASP   1           1HB      ASP   1   1.535   0.378  -3.357
    6    HB3  ASP   1           2HB      ASP   1   2.267   1.620  -2.349
    7    H    TRP   2           H        TRP   2  -0.031  -1.793  -1.989
    8    HA   TRP   2           HA       TRP   2   1.489  -4.313  -1.694
    9    HB2  TRP   2           1HB      TRP   2  -0.727  -3.911  -0.561
   10    HB3  TRP   2           2HB      TRP   2  -1.489  -3.918  -2.145
   11    HD1  TRP   2           HD1      TRP   2   0.507  -6.188   0.237
   12    HE1  TRP   2           HE1      TRP   2  -0.067  -8.638  -0.182
   13    HE3  TRP   2           HE3      TRP   2  -2.512  -5.614  -3.872
   14    HZ2  TRP   2           HZ2      TRP   2  -1.632 -10.177  -2.078
   15    HZ3  TRP   2           HZ3      TRP   2  -3.523  -7.595  -4.962
   16    HH2  TRP   2           HH2      TRP   2  -3.092  -9.878  -4.077
   17    H    GLU   3           H        GLU   3   2.802  -3.811  -3.602
   18    HA   GLU   3           HA       GLU   3   1.520  -3.958  -6.240
   19    HB2  GLU   3           1HB      GLU   3   3.562  -2.630  -5.936
   20    HB3  GLU   3           2HB      GLU   3   4.446  -4.058  -5.392
   21    HG2  GLU   3           1HG      GLU   3   4.128  -5.110  -7.606
   22    HG3  GLU   3           2HG      GLU   3   3.151  -3.737  -8.135
   23    H    TYR   4           H        TYR   4   0.766  -5.888  -6.976
   24    HA   TYR   4           HA       TYR   4   1.515  -8.436  -5.867
   25    HB2  TYR   4           1HB      TYR   4  -0.668  -7.952  -6.838
   26    HB3  TYR   4           2HB      TYR   4   0.063  -7.645  -8.408
   27    HD1  TYR   4           HD1      TYR   4  -0.148 -10.360  -5.790
   28    HD2  TYR   4           HD2      TYR   4   0.122  -9.390  -9.988
   29    HE1  TYR   4           HE1      TYR   4  -0.347 -12.763  -6.352
   30    HE2  TYR   4           HE2      TYR   4  -0.096 -11.789 -10.563
   31    HH   TYR   4           HH       TYR   4  -0.428 -14.353  -8.054
   32    H    HIS   5           H        HIS   5   2.763 -10.040  -6.838
   33    HA   HIS   5           HA       HIS   5   4.704  -9.198  -8.939
   34    HB2  HIS   5           1HB      HIS   5   6.315 -10.695  -7.941
   35    HB3  HIS   5           2HB      HIS   5   5.807  -9.476  -6.759
   36    HD2  HIS   5           HD2      HIS   5   4.183 -10.355  -4.712
   37    HE1  HIS   5           HE1      HIS   5   5.014 -14.497  -5.234
   38    HE2  HIS   5           HE2      HIS   5   3.988 -12.757  -3.679
   39    H    ALA   6           H        ALA   6   5.017 -10.660 -10.626
   40    HA   ALA   6           HA       ALA   6   2.947 -12.696 -11.015
   41    HB1  ALA   6           3HB      ALA   6   5.264 -11.759 -12.765
   42    HB2  ALA   6           1HB      ALA   6   4.062 -12.975 -13.238
   43    HB3  ALA   6           2HB      ALA   6   3.555 -11.311 -12.932
   44    H    HIS   7           H        HIS   7   3.480 -14.882 -11.464
   45    HA   HIS   7           HA       HIS   7   5.607 -15.972  -9.787
   46    HB2  HIS   7           1HB      HIS   7   3.614 -17.165  -9.630
   47    HB3  HIS   7           2HB      HIS   7   3.335 -17.186 -11.360
   48    HD1  HIS   7           HD1      HIS   7   6.208 -18.646  -9.114
   49    HD2  HIS   7           HD2      HIS   7   3.705 -19.503 -12.394
   50    HE1  HIS   7           HE1      HIS   7   6.827 -20.981  -9.895
   51    HA   PRO   8           HA       PRO   8   7.497 -17.662 -13.723
   52    HB2  PRO   8           1HB      PRO   8   6.684 -17.138 -16.259
   53    HB3  PRO   8           2HB      PRO   8   5.883 -18.352 -15.211
   54    HG2  PRO   8           1HG      PRO   8   5.102 -15.461 -15.646
   55    HG3  PRO   8           2HG      PRO   8   4.052 -16.910 -15.805
   56    HD2  PRO   8           1HD      PRO   8   4.091 -15.434 -13.534
   57    HD3  PRO   8           2HD      PRO   8   4.009 -17.225 -13.464
   58    H    LYS   9           H        LYS   9   6.448 -14.263 -14.243
   59    HA   LYS   9           HA       LYS   9   9.102 -13.562 -15.323
   60    HB2  LYS   9           1HB      LYS   9   7.084 -12.936 -16.513
   61    HB3  LYS   9           2HB      LYS   9   6.512 -11.976 -15.130
   62    HG2  LYS   9           1HG      LYS   9   8.552 -10.539 -15.358
   63    HG3  LYS   9           2HG      LYS   9   9.031 -11.466 -16.783
   64    HD2  LYS   9           1HD      LYS   9   6.472  -9.813 -16.518
   65    HD3  LYS   9           2HD      LYS   9   7.971  -9.287 -17.267
   66    HE2  LYS   9           1HE      LYS   9   6.781  -9.883 -19.124
   67    HE3  LYS   9           2HE      LYS   9   7.742 -11.334 -18.841
   68    HZ1  LYS   9           3HZ      LYS   9   4.900 -10.954 -18.072
   69    HZ2  LYS   9           1HZ      LYS   9   5.762 -12.326 -17.812
   70    HZ3  LYS   9           2HZ      LYS   9   5.437 -11.838 -19.334
   71    HA   HYP  10           HA       HYP  10  10.004 -12.012 -11.204
   72    HB2  HYP  10           1HB      HYP  10  12.349 -10.667 -11.685
   73    HB3  HYP  10           2HB      HYP  10  12.224 -12.460 -11.646
   74    HG   HYP  10           HG       HYP  10  12.287 -10.570 -13.978
   75   HD22  HYP  10          1HD       HYP  10  10.709 -11.658 -15.170
   76   HD23  HYP  10          2HD       HYP  10  11.132 -13.274 -14.527
   77    HD1  HYP  10           HOD      HYP  10  13.260 -13.220 -13.593
   78    H    ASN  11           H        ASN  11  10.535  -9.902 -10.156
   79    HA   ASN  11           HA       ASN  11   8.513  -8.045 -10.483
   80    HB2  ASN  11           1HB      ASN  11  11.247  -7.829  -9.160
   81    HB3  ASN  11           2HB      ASN  11  10.026  -6.565  -9.034
   82   HD21  ASN  11          1HD2      ASN  11   8.059  -6.951  -7.799
   83   HD22  ASN  11          2HD2      ASN  11   7.953  -8.306  -6.701
   84    H    SER  12           H        SER  12  11.884  -6.933 -10.833
   85    HA   SER  12           HA       SER  12  11.295  -4.753 -12.447
   86    HB2  SER  12           1HB      SER  12  13.930  -6.267 -12.449
   87    HB3  SER  12           2HB      SER  12  13.671  -4.522 -12.630
   88    HG   SER  12           HG       SER  12  14.375  -5.069 -10.508
   89    H    DPN  13           H        DPN  13  11.608  -8.075 -13.301
   90    HA   DPN  13           HA       DPN  13  10.923  -9.181 -15.080
   91    HB2  DPN  13           1HB      DPN  13  13.183  -9.387 -15.500
   92    HB3  DPN  13           2HB      DPN  13  12.463  -9.008 -17.036
   93    HD1  DPN  13           HD1      DPN  13  13.183  -7.020 -18.262
   94    HD2  DPN  13           HD2      DPN  13  14.471  -7.671 -14.194
   95    HE1  DPN  13           HE1      DPN  13  14.893  -5.241 -18.519
   96    HE2  DPN  13           HE2      DPN  13  16.190  -5.892 -14.461
   97    HZ   DPN  13           HZ       DPN  13  16.401  -4.676 -16.622
   98    H    TRP  14           H        TRP  14   9.296  -6.857 -14.701
   99    HA   TRP  14           HA       TRP  14   7.813  -6.973 -17.135
  100    HB2  TRP  14           1HB      TRP  14   7.668  -5.475 -14.538
  101    HB3  TRP  14           2HB      TRP  14   6.745  -4.824 -15.882
  102    HD1  TRP  14           HD1      TRP  14   5.314  -7.083 -17.217
  103    HE1  TRP  14           HE1      TRP  14   3.529  -8.459 -16.014
  104    HE3  TRP  14           HE3      TRP  14   6.772  -6.197 -12.416
  105    HZ2  TRP  14           HZ2      TRP  14   2.780  -9.046 -13.254
  106    HZ3  TRP  14           HZ3      TRP  14   5.553  -7.141 -10.540
  107    HH2  TRP  14           HH2      TRP  14   3.503  -8.556 -10.921
  108    H    THR  15           H        THR  15  10.592  -4.921 -16.470
  109    HA   THR  15           HA       THR  15   9.503  -2.709 -18.042
  110    HB   THR  15           HB       THR  15  11.727  -1.680 -17.833
  111    HG1  THR  15           HG1      THR  15  13.252  -2.610 -16.483
  112   HG21  THR  15          3HG2      THR  15   9.929  -1.295 -16.175
  113   HG22  THR  15          1HG2      THR  15  11.533  -1.210 -15.437
  114   HG23  THR  15          2HG2      THR  15  10.524  -2.653 -15.199
  Start of MODEL    5
    1    H1   ASP   1           1H       ASP   1   6.994  -1.515  -3.943
    2    H2   ASP   1           2H       ASP   1   6.283  -0.744  -2.686
    3    H3   ASP   1           3H       ASP   1   6.528   0.057  -4.110
    4    HA   ASP   1           HA       ASP   1   4.214  -0.594  -3.804
    5    HB2  ASP   1           1HB      ASP   1   5.676  -1.896  -6.137
    6    HB3  ASP   1           2HB      ASP   1   3.929  -1.679  -6.025
    7    H    TRP   2           H        TRP   2   2.722  -2.250  -3.322
    8    HA   TRP   2           HA       TRP   2   3.876  -4.925  -2.715
    9    HB2  TRP   2           1HB      TRP   2   2.528  -5.055  -0.751
   10    HB3  TRP   2           2HB      TRP   2   3.457  -3.577  -0.669
   11    HD1  TRP   2           HD1      TRP   2   2.024  -1.251  -1.175
   12    HE1  TRP   2           HE1      TRP   2  -0.391  -0.646  -0.624
   13    HE3  TRP   2           HE3      TRP   2   0.167  -5.969  -0.418
   14    HZ2  TRP   2           HZ2      TRP   2  -2.850  -2.036   0.053
   15    HZ3  TRP   2           HZ3      TRP   2  -2.211  -6.296   0.186
   16    HH2  TRP   2           HH2      TRP   2  -3.730  -4.341   0.419
   17    H    GLU   3           H        GLU   3   2.613  -3.985  -5.150
   18    HA   GLU   3           HA       GLU   3  -0.040  -5.147  -5.360
   19    HB2  GLU   3           1HB      GLU   3   1.980  -3.931  -7.249
   20    HB3  GLU   3           2HB      GLU   3   0.793  -5.034  -7.915
   21    HG2  GLU   3           1HG      GLU   3  -0.127  -2.875  -8.150
   22    HG3  GLU   3           2HG      GLU   3  -1.054  -3.698  -6.904
   23    H    TYR   4           H        TYR   4  -0.450  -6.930  -6.928
   24    HA   TYR   4           HA       TYR   4   0.618  -9.375  -6.100
   25    HB2  TYR   4           1HB      TYR   4  -1.554  -9.096  -7.164
   26    HB3  TYR   4           2HB      TYR   4  -0.786  -8.558  -8.654
   27    HD1  TYR   4           HD2      TYR   4  -0.905 -11.531  -6.341
   28    HD2  TYR   4           HD1      TYR   4  -0.430 -10.099 -10.386
   29    HE1  TYR   4           HE2      TYR   4  -0.919 -13.868  -7.168
   30    HE2  TYR   4           HE1      TYR   4  -0.459 -12.426 -11.222
   31    HH   TYR   4           HH       TYR   4  -0.634 -14.680 -10.666
   32    H    HIS   5           H        HIS   5   2.026 -10.826  -7.006
   33    HA   HIS   5           HA       HIS   5   4.114  -9.773  -8.856
   34    HB2  HIS   5           1HB      HIS   5   5.643 -11.345  -7.828
   35    HB3  HIS   5           2HB      HIS   5   4.976 -10.250  -6.606
   36    HD2  HIS   5           HD2      HIS   5   3.155 -11.331  -4.848
   37    HE1  HIS   5           HE1      HIS   5   4.078 -15.400  -5.678
   38    HE2  HIS   5           HE2      HIS   5   2.864 -13.825  -4.087
   39    H    ALA   6           H        ALA   6   4.683 -11.085 -10.616
   40    HA   ALA   6           HA       ALA   6   2.731 -13.131 -11.409
   41    HB1  ALA   6           3HB      ALA   6   4.078 -13.161 -13.527
   42    HB2  ALA   6           1HB      ALA   6   3.436 -11.562 -13.131
   43    HB3  ALA   6           2HB      ALA   6   5.149 -11.928 -12.833
   44    H    HIS   7           H        HIS   7   3.359 -15.255 -11.918
   45    HA   HIS   7           HA       HIS   7   5.484 -16.391 -10.268
   46    HB2  HIS   7           1HB      HIS   7   3.534 -17.674 -10.284
   47    HB3  HIS   7           2HB      HIS   7   3.323 -17.569 -12.021
   48    HD1  HIS   7           HD1      HIS   7   6.145 -19.088  -9.749
   49    HD2  HIS   7           HD2      HIS   7   3.873 -19.763 -13.234
   50    HE1  HIS   7           HE1      HIS   7   6.909 -21.324 -10.684
   51    HA   PRO   8           HA       PRO   8   7.519 -17.610 -14.310
   52    HB2  PRO   8           1HB      PRO   8   6.759 -16.820 -16.797
   53    HB3  PRO   8           2HB      PRO   8   5.989 -18.180 -15.919
   54    HG2  PRO   8           1HG      PRO   8   5.088 -15.294 -16.047
   55    HG3  PRO   8           2HG      PRO   8   4.109 -16.761 -16.393
   56    HD2  PRO   8           1HD      PRO   8   4.024 -15.550 -13.978
   57    HD3  PRO   8           2HD      PRO   8   4.035 -17.340 -14.103
   58    H    LYS   9           H        LYS   9   6.382 -14.184 -14.616
   59    HA   LYS   9           HA       LYS   9   9.083 -13.366 -15.452
   60    HB2  LYS   9           1HB      LYS   9   7.073 -12.545 -16.627
   61    HB3  LYS   9           2HB      LYS   9   6.527 -11.745 -15.146
   62    HG2  LYS   9           1HG      LYS   9   7.507 -10.018 -16.417
   63    HG3  LYS   9           2HG      LYS   9   8.728 -10.419 -15.231
   64    HD2  LYS   9           1HD      LYS   9  10.068 -10.366 -17.128
   65    HD3  LYS   9           2HD      LYS   9   9.615 -12.060 -17.167
   66    HE2  LYS   9           1HE      LYS   9   9.194 -11.447 -19.351
   67    HE3  LYS   9           2HE      LYS   9   7.591 -11.260 -18.639
   68    HZ1  LYS   9           3HZ      LYS   9   9.544  -9.082 -19.123
   69    HZ2  LYS   9           1HZ      LYS   9   8.076  -8.870 -18.440
   70    HZ3  LYS   9           2HZ      LYS   9   8.193  -9.364 -19.998
   71    HA   HYP  10           HA       HYP  10   9.839 -12.265 -11.154
   72    HB2  HYP  10           1HB      HYP  10  12.181 -10.836 -11.443
   73    HB3  HYP  10           2HB      HYP  10  12.077 -12.626 -11.507
   74    HG   HYP  10           HG       HYP  10  12.263 -10.616 -13.723
   75   HD22  HYP  10          1HD       HYP  10  10.702 -11.555 -15.032
   76   HD23  HYP  10          2HD       HYP  10  11.070 -13.229 -14.534
   77    HD1  HYP  10           HOD      HYP  10  13.137 -13.315 -13.465
   78    H    ASN  11           H        ASN  11  10.356 -10.222  -9.916
   79    HA   ASN  11           HA       ASN  11   8.253  -8.433 -10.115
   80    HB2  ASN  11           1HB      ASN  11  10.953  -8.200  -8.736
   81    HB3  ASN  11           2HB      ASN  11   9.672  -7.013  -8.512
   82   HD21  ASN  11          1HD2      ASN  11  11.009  -9.295  -6.751
   83   HD22  ASN  11          2HD2      ASN  11   9.614 -10.021  -5.988
   84    H    SER  12           H        SER  12  11.576  -7.150 -10.318
   85    HA   SER  12           HA       SER  12  10.922  -4.874 -11.764
   86    HB2  SER  12           1HB      SER  12  13.609  -6.289 -11.857
   87    HB3  SER  12           2HB      SER  12  13.289  -4.546 -11.899
   88    HG   SER  12           HG       SER  12  13.998  -5.238  -9.820
   89    H    DPN  13           H        DPN  13  11.372  -8.105 -12.859
   90    HA   DPN  13           HA       DPN  13  10.751  -9.106 -14.710
   91    HB2  DPN  13           1HB      DPN  13  13.003  -9.201 -15.136
   92    HB3  DPN  13           2HB      DPN  13  12.290  -8.718 -16.648
   93    HD1  DPN  13           HD1      DPN  13  14.235  -7.575 -13.684
   94    HD2  DPN  13           HD2      DPN  13  12.928  -6.591 -17.681
   95    HE1  DPN  13           HE1      DPN  13  15.893  -5.722 -13.779
   96    HE2  DPN  13           HE2      DPN  13  14.575  -4.737 -17.762
   97    HZ   DPN  13           HZ       DPN  13  16.063  -4.302 -15.816
   98    H    TRP  14           H        TRP  14   9.039  -6.839 -14.201
   99    HA   TRP  14           HA       TRP  14   7.602  -6.856 -16.675
  100    HB2  TRP  14           1HB      TRP  14   7.324  -5.595 -13.979
  101    HB3  TRP  14           2HB      TRP  14   6.449  -4.815 -15.286
  102    HD1  TRP  14           HD1      TRP  14   5.108  -6.926 -16.918
  103    HE1  TRP  14           HE1      TRP  14   3.312  -8.463 -15.955
  104    HE3  TRP  14           HE3      TRP  14   6.399  -6.609 -12.000
  105    HZ2  TRP  14           HZ2      TRP  14   2.445  -9.338 -13.304
  106    HZ3  TRP  14           HZ3      TRP  14   5.118  -7.762 -10.292
  107    HH2  TRP  14           HH2      TRP  14   3.083  -9.118 -10.910
  108    H    THR  15           H        THR  15  10.285  -4.763 -15.786
  109    HA   THR  15           HA       THR  15   9.155  -2.479 -17.219
  110    HB   THR  15           HB       THR  15  11.309  -1.374 -16.848
  111    HG1  THR  15           HG1      THR  15  12.848  -2.343 -15.543
  112   HG21  THR  15          3HG2      THR  15  11.037  -1.125 -14.426
  113   HG22  THR  15          1HG2      THR  15  10.103  -2.634 -14.340
  114   HG23  THR  15          2HG2      THR  15   9.456  -1.227 -15.210
  Start of MODEL    6
    1    H1   ASP   1           1H       ASP   1   4.324  -0.749  -0.034
    2    H2   ASP   1           2H       ASP   1   4.902   0.431  -1.029
    3    H3   ASP   1           3H       ASP   1   5.620  -1.046  -0.985
    4    HA   ASP   1           HA       ASP   1   2.878  -0.554  -1.907
    5    HB2  ASP   1           1HB      ASP   1   5.411  -1.059  -3.521
    6    HB3  ASP   1           2HB      ASP   1   3.769  -1.163  -4.169
    7    H    TRP   2           H        TRP   2   1.647  -2.394  -2.104
    8    HA   TRP   2           HA       TRP   2   2.980  -5.004  -1.585
    9    HB2  TRP   2           1HB      TRP   2   1.005  -5.693  -0.427
   10    HB3  TRP   2           2HB      TRP   2   1.533  -4.173   0.259
   11    HD1  TRP   2           HD1      TRP   2   0.021  -1.955  -0.486
   12    HE1  TRP   2           HE1      TRP   2  -2.481  -1.743  -0.922
   13    HE3  TRP   2           HE3      TRP   2  -1.088  -6.905  -1.242
   14    HZ2  TRP   2           HZ2      TRP   2  -4.708  -3.500  -1.546
   15    HZ3  TRP   2           HZ3      TRP   2  -3.410  -7.604  -1.740
   16    HH2  TRP   2           HH2      TRP   2  -5.227  -5.913  -1.899
   17    H    GLU   3           H        GLU   3   2.674  -3.743  -4.169
   18    HA   GLU   3           HA       GLU   3   0.366  -4.655  -5.552
   19    HB2  GLU   3           1HB      GLU   3   2.007  -2.760  -6.159
   20    HB3  GLU   3           2HB      GLU   3   3.035  -4.020  -6.861
   21    HG2  GLU   3           1HG      GLU   3   1.158  -4.676  -8.367
   22    HG3  GLU   3           2HG      GLU   3   0.127  -3.451  -7.615
   23    H    TYR   4           H        TYR   4   0.105  -6.381  -7.038
   24    HA   TYR   4           HA       TYR   4   1.011  -8.860  -6.119
   25    HB2  TYR   4           1HB      TYR   4  -1.095  -8.489  -7.293
   26    HB3  TYR   4           2HB      TYR   4  -0.229  -8.072  -8.767
   27    HD1  TYR   4           HD2      TYR   4  -0.581 -10.891  -6.289
   28    HD2  TYR   4           HD1      TYR   4   0.095  -9.745 -10.394
   29    HE1  TYR   4           HE2      TYR   4  -0.661 -13.273  -6.959
   30    HE2  TYR   4           HE1      TYR   4  -0.004 -12.124 -11.080
   31    HH   TYR   4           HH       TYR   4  -0.520 -14.792  -8.718
   32    H    HIS   5           H        HIS   5   2.366 -10.424  -6.956
   33    HA   HIS   5           HA       HIS   5   4.508  -9.570  -8.841
   34    HB2  HIS   5           1HB      HIS   5   6.001 -11.070  -7.704
   35    HB3  HIS   5           2HB      HIS   5   5.356  -9.902  -6.539
   36    HD2  HIS   5           HD2      HIS   5   3.436 -10.896  -4.777
   37    HE1  HIS   5           HE1      HIS   5   4.483 -14.986  -5.306
   38    HE2  HIS   5           HE2      HIS   5   3.172 -13.342  -3.867
   39    H    ALA   6           H        ALA   6   4.898 -10.977 -10.555
   40    HA   ALA   6           HA       ALA   6   2.869 -13.032 -11.083
   41    HB1  ALA   6           3HB      ALA   6   4.061 -13.202 -13.288
   42    HB2  ALA   6           1HB      ALA   6   3.470 -11.575 -12.935
   43    HB3  ALA   6           2HB      ALA   6   5.195 -11.953 -12.738
   44    H    HIS   7           H        HIS   7   3.459 -15.183 -11.604
   45    HA   HIS   7           HA       HIS   7   5.628 -16.299  -9.999
   46    HB2  HIS   7           1HB      HIS   7   3.672 -17.566  -9.916
   47    HB3  HIS   7           2HB      HIS   7   3.399 -17.502 -11.646
   48    HD1  HIS   7           HD1      HIS   7   6.292 -18.977  -9.438
   49    HD2  HIS   7           HD2      HIS   7   3.896 -19.734 -12.822
   50    HE1  HIS   7           HE1      HIS   7   7.014 -21.241 -10.338
   51    HA   PRO   8           HA       PRO   8   7.552 -17.612 -14.068
   52    HB2  PRO   8           1HB      PRO   8   6.689 -16.933 -16.550
   53    HB3  PRO   8           2HB      PRO   8   5.949 -18.255 -15.591
   54    HG2  PRO   8           1HG      PRO   8   5.048 -15.372 -15.790
   55    HG3  PRO   8           2HG      PRO   8   4.056 -16.845 -16.063
   56    HD2  PRO   8           1HD      PRO   8   4.047 -15.567 -13.681
   57    HD3  PRO   8           2HD      PRO   8   4.056 -17.360 -13.756
   58    H    LYS   9           H        LYS   9   6.379 -14.219 -14.251
   59    HA   LYS   9           HA       LYS   9   8.957 -13.360 -15.399
   60    HB2  LYS   9           1HB      LYS   9   6.801 -12.662 -16.389
   61    HB3  LYS   9           2HB      LYS   9   6.398 -11.801 -14.904
   62    HG2  LYS   9           1HG      LYS   9   7.176 -10.119 -16.343
   63    HG3  LYS   9           2HG      LYS   9   8.539 -10.427 -15.287
   64    HD2  LYS   9           1HD      LYS   9   9.416 -10.211 -17.489
   65    HD3  LYS   9           2HD      LYS   9   9.494 -11.940 -17.129
   66    HE2  LYS   9           1HE      LYS   9   7.368 -12.286 -18.398
   67    HE3  LYS   9           2HE      LYS   9   7.299 -10.551 -18.738
   68    HZ1  LYS   9           3HZ      LYS   9   9.424 -12.392 -19.660
   69    HZ2  LYS   9           1HZ      LYS   9   9.375 -10.781 -19.964
   70    HZ3  LYS   9           2HZ      LYS   9   8.229 -11.768 -20.580
   71    HA   HYP  10           HA       HYP  10  10.002 -12.082 -11.199
   72    HB2  HYP  10           1HB      HYP  10  12.348 -10.735 -11.700
   73    HB3  HYP  10           2HB      HYP  10  12.203 -12.522 -11.695
   74    HG   HYP  10           HG       HYP  10  12.278 -10.598 -13.993
   75   HD22  HYP  10          1HD       HYP  10  10.599 -11.543 -15.149
   76   HD23  HYP  10          2HD       HYP  10  10.987 -13.209 -14.633
   77    HD1  HYP  10           HOD      HYP  10  13.119 -13.302 -13.682
   78    H    ASN  11           H        ASN  11  10.596  -9.994 -10.105
   79    HA   ASN  11           HA       ASN  11   8.491  -8.204 -10.310
   80    HB2  ASN  11           1HB      ASN  11  11.233  -7.929  -9.025
   81    HB3  ASN  11           2HB      ASN  11   9.964  -6.727  -8.810
   82   HD21  ASN  11          1HD2      ASN  11  11.329  -8.774  -6.906
   83   HD22  ASN  11          2HD2      ASN  11   9.973  -9.533  -6.105
   84    H    SER  12           H        SER  12  11.814  -6.959 -10.688
   85    HA   SER  12           HA       SER  12  11.101  -4.748 -12.237
   86    HB2  SER  12           1HB      SER  12  13.793  -6.156 -12.280
   87    HB3  SER  12           2HB      SER  12  13.477  -4.422 -12.442
   88    HG   SER  12           HG       SER  12  12.895  -4.364 -10.249
   89    H    DPN  13           H        DPN  13  11.464  -8.042 -13.156
   90    HA   DPN  13           HA       DPN  13  10.817  -9.112 -14.966
   91    HB2  DPN  13           1HB      DPN  13  13.072  -9.239 -15.418
   92    HB3  DPN  13           2HB      DPN  13  12.327  -8.815 -16.935
   93    HD1  DPN  13           HD1      DPN  13  14.375  -7.589 -14.079
   94    HD2  DPN  13           HD2      DPN  13  12.931  -6.704 -18.051
   95    HE1  DPN  13           HE1      DPN  13  16.010  -5.723 -14.266
   96    HE2  DPN  13           HE2      DPN  13  14.549  -4.831 -18.221
   97    HZ   DPN  13           HZ       DPN  13  16.092  -4.338 -16.332
   98    H    TRP  14           H        TRP  14   9.096  -6.916 -14.466
   99    HA   TRP  14           HA       TRP  14   7.637  -6.908 -16.926
  100    HB2  TRP  14           1HB      TRP  14   7.395  -5.636 -14.217
  101    HB3  TRP  14           2HB      TRP  14   6.457  -4.921 -15.517
  102    HD1  TRP  14           HD1      TRP  14   5.141  -7.124 -17.049
  103    HE1  TRP  14           HE1      TRP  14   3.380  -8.632 -15.981
  104    HE3  TRP  14           HE3      TRP  14   6.561  -6.622 -12.180
  105    HZ2  TRP  14           HZ2      TRP  14   2.559  -9.372 -13.275
  106    HZ3  TRP  14           HZ3      TRP  14   5.310  -7.690 -10.394
  107    HH2  TRP  14           HH2      TRP  14   3.248  -9.048 -10.904
  108    H    THR  15           H        THR  15  10.257  -4.806 -15.955
  109    HA   THR  15           HA       THR  15   9.315  -2.436 -17.321
  110    HB   THR  15           HB       THR  15  12.113  -3.261 -16.455
  111    HG1  THR  15           HG1      THR  15  10.121  -1.674 -15.153
  112   HG21  THR  15          3HG2      THR  15  12.240  -1.411 -18.049
  113   HG22  THR  15          1HG2      THR  15  12.588  -0.822 -16.420
  114   HG23  THR  15          2HG2      THR  15  10.998  -0.507 -17.158
  Start of MODEL    7
    1    H1   ASP   1           1H       ASP   1   6.082  -0.627  -2.048
    2    H2   ASP   1           2H       ASP   1   6.690   0.040  -3.421
    3    H3   ASP   1           3H       ASP   1   7.184  -1.451  -2.928
    4    HA   ASP   1           HA       ASP   1   4.449  -0.790  -3.761
    5    HB2  ASP   1           1HB      ASP   1   6.064  -0.737  -5.655
    6    HB3  ASP   1           2HB      ASP   1   6.548  -2.396  -5.275
    7    H    TRP   2           H        TRP   2   2.929  -2.461  -3.479
    8    HA   TRP   2           HA       TRP   2   3.885  -5.061  -2.461
    9    HB2  TRP   2           1HB      TRP   2   2.327  -5.036  -0.621
   10    HB3  TRP   2           2HB      TRP   2   3.344  -3.619  -0.494
   11    HD1  TRP   2           HD1      TRP   2   2.140  -1.233  -1.284
   12    HE1  TRP   2           HE1      TRP   2  -0.267  -0.435  -1.026
   13    HE3  TRP   2           HE3      TRP   2  -0.125  -5.760  -0.463
   14    HZ2  TRP   2           HZ2      TRP   2  -2.880  -1.614  -0.569
   15    HZ3  TRP   2           HZ3      TRP   2  -2.573  -5.887  -0.116
   16    HH2  TRP   2           HH2      TRP   2  -3.962  -3.826  -0.174
   17    H    GLU   3           H        GLU   3   2.891  -4.182  -5.057
   18    HA   GLU   3           HA       GLU   3   0.118  -5.107  -5.268
   19    HB2  GLU   3           1HB      GLU   3   1.434  -3.249  -6.666
   20    HB3  GLU   3           2HB      GLU   3   1.915  -4.633  -7.641
   21    HG2  GLU   3           1HG      GLU   3  -0.013  -3.652  -8.654
   22    HG3  GLU   3           2HG      GLU   3  -0.555  -5.161  -7.941
   23    H    TYR   4           H        TYR   4  -0.315  -6.830  -7.052
   24    HA   TYR   4           HA       TYR   4   0.740  -9.317  -6.276
   25    HB2  TYR   4           1HB      TYR   4  -1.436  -8.998  -7.327
   26    HB3  TYR   4           2HB      TYR   4  -0.665  -8.457  -8.815
   27    HD1  TYR   4           HD2      TYR   4  -0.789 -11.429  -6.503
   28    HD2  TYR   4           HD1      TYR   4  -0.286 -10.007 -10.546
   29    HE1  TYR   4           HE2      TYR   4  -0.763 -13.770  -7.319
   30    HE2  TYR   4           HE1      TYR   4  -0.272 -12.338 -11.374
   31    HH   TYR   4           HH       TYR   4  -0.423 -14.592 -10.809
   32    H    HIS   5           H        HIS   5   2.163 -10.716  -7.196
   33    HA   HIS   5           HA       HIS   5   4.183  -9.664  -9.123
   34    HB2  HIS   5           1HB      HIS   5   5.769 -11.192  -8.082
   35    HB3  HIS   5           2HB      HIS   5   5.141 -10.030  -6.901
   36    HD2  HIS   5           HD2      HIS   5   5.413 -13.765  -7.591
   37    HE1  HIS   5           HE1      HIS   5   3.070 -13.427  -4.057
   38    HE2  HIS   5           HE2      HIS   5   4.315 -15.044  -5.579
   39    H    ALA   6           H        ALA   6   4.698 -11.003 -10.872
   40    HA   ALA   6           HA       ALA   6   2.795 -13.118 -11.541
   41    HB1  ALA   6           3HB      ALA   6   3.512 -11.622 -13.326
   42    HB2  ALA   6           1HB      ALA   6   5.222 -11.991 -13.012
   43    HB3  ALA   6           2HB      ALA   6   4.140 -13.241 -13.656
   44    H    HIS   7           H        HIS   7   3.522 -15.240 -12.128
   45    HA   HIS   7           HA       HIS   7   5.513 -16.347 -10.288
   46    HB2  HIS   7           1HB      HIS   7   3.580 -17.636 -10.384
   47    HB3  HIS   7           2HB      HIS   7   3.452 -17.557 -12.130
   48    HD1  HIS   7           HD1      HIS   7   6.221 -19.014  -9.751
   49    HD2  HIS   7           HD2      HIS   7   3.996 -19.804 -13.241
   50    HE1  HIS   7           HE1      HIS   7   7.006 -21.273 -10.610
   51    HA   PRO   8           HA       PRO   8   7.826 -17.693 -14.131
   52    HB2  PRO   8           1HB      PRO   8   7.211 -17.041 -16.695
   53    HB3  PRO   8           2HB      PRO   8   6.391 -18.361 -15.801
   54    HG2  PRO   8           1HG      PRO   8   5.489 -15.491 -16.124
   55    HG3  PRO   8           2HG      PRO   8   4.541 -16.977 -16.468
   56    HD2  PRO   8           1HD      PRO   8   4.294 -15.661 -14.117
   57    HD3  PRO   8           2HD      PRO   8   4.316 -17.455 -14.164
   58    H    LYS   9           H        LYS   9   6.647 -14.317 -14.533
   59    HA   LYS   9           HA       LYS   9   9.348 -13.433 -15.326
   60    HB2  LYS   9           1HB      LYS   9   7.411 -12.829 -16.658
   61    HB3  LYS   9           2HB      LYS   9   6.682 -11.966 -15.285
   62    HG2  LYS   9           1HG      LYS   9   8.652 -10.433 -15.258
   63    HG3  LYS   9           2HG      LYS   9   9.330 -11.282 -16.651
   64    HD2  LYS   9           1HD      LYS   9   6.696  -9.734 -16.622
   65    HD3  LYS   9           2HD      LYS   9   8.244  -9.147 -17.208
   66    HE2  LYS   9           1HE      LYS   9   7.337  -9.756 -19.199
   67    HE3  LYS   9           2HE      LYS   9   8.218 -11.229 -18.797
   68    HZ1  LYS   9           3HZ      LYS   9   5.990 -11.696 -19.569
   69    HZ2  LYS   9           1HZ      LYS   9   5.313 -10.768 -18.411
   70    HZ3  LYS   9           2HZ      LYS   9   6.092 -12.154 -18.005
   71    HA   HYP  10           HA       HYP  10   9.808 -12.092 -11.067
   72    HB2  HYP  10           1HB      HYP  10  12.136 -10.649 -11.257
   73    HB3  HYP  10           2HB      HYP  10  12.069 -12.442 -11.328
   74    HG   HYP  10           HG       HYP  10  12.301 -10.434 -13.552
   75   HD22  HYP  10          1HD       HYP  10  10.853 -11.496 -14.928
   76   HD23  HYP  10          2HD       HYP  10  11.276 -13.128 -14.328
   77    HD1  HYP  10           HOD      HYP  10  14.111 -11.676 -13.017
   78    H    ASN  11           H        ASN  11  10.211 -10.005  -9.873
   79    HA   ASN  11           HA       ASN  11   8.107  -8.251 -10.255
   80    HB2  ASN  11           1HB      ASN  11  10.713  -7.944  -8.713
   81    HB3  ASN  11           2HB      ASN  11   9.406  -6.767  -8.616
   82   HD21  ASN  11          1HD2      ASN  11  10.182  -7.880  -6.263
   83   HD22  ASN  11          2HD2      ASN  11   8.984  -9.020  -5.694
   84    H    SER  12           H        SER  12  11.417  -6.914 -10.286
   85    HA   SER  12           HA       SER  12  10.805  -4.704 -11.858
   86    HB2  SER  12           1HB      SER  12  13.532  -6.031 -11.700
   87    HB3  SER  12           2HB      SER  12  13.162  -4.304 -11.828
   88    HG   SER  12           HG       SER  12  13.733  -4.894  -9.678
   89    H    DPN  13           H        DPN  13  11.368  -7.959 -12.805
   90    HA   DPN  13           HA       DPN  13  10.904  -9.028 -14.670
   91    HB2  DPN  13           1HB      DPN  13  13.186  -9.093 -14.929
   92    HB3  DPN  13           2HB      DPN  13  12.569  -8.669 -16.498
   93    HD1  DPN  13           HD1      DPN  13  13.272  -6.572 -17.558
   94    HD2  DPN  13           HD2      DPN  13  14.294  -7.406 -13.446
   95    HE1  DPN  13           HE1      DPN  13  14.905  -4.705 -17.583
   96    HE2  DPN  13           HE2      DPN  13  15.934  -5.536 -13.482
   97    HZ   DPN  13           HZ       DPN  13  16.240  -4.184 -15.549
   98    H    TRP  14           H        TRP  14   9.093  -6.856 -14.321
   99    HA   TRP  14           HA       TRP  14   7.842  -6.852 -16.893
  100    HB2  TRP  14           1HB      TRP  14   7.378  -5.567 -14.216
  101    HB3  TRP  14           2HB      TRP  14   6.529  -4.888 -15.593
  102    HD1  TRP  14           HD1      TRP  14   5.356  -7.126 -17.181
  103    HE1  TRP  14           HE1      TRP  14   3.549  -8.655 -16.220
  104    HE3  TRP  14           HE3      TRP  14   6.376  -6.499 -12.227
  105    HZ2  TRP  14           HZ2      TRP  14   2.577  -9.415 -13.575
  106    HZ3  TRP  14           HZ3      TRP  14   5.032  -7.587 -10.523
  107    HH2  TRP  14           HH2      TRP  14   3.072  -9.035 -11.164
  108    H    THR  15           H        THR  15  10.394  -4.761 -15.762
  109    HA   THR  15           HA       THR  15   9.416  -2.400 -17.128
  110    HB   THR  15           HB       THR  15  11.661  -1.455 -16.672
  111    HG1  THR  15           HG1      THR  15  12.095  -3.874 -15.230
  112   HG21  THR  15          3HG2      THR  15   9.784  -1.154 -15.120
  113   HG22  THR  15          1HG2      THR  15  11.318  -1.268 -14.246
  114   HG23  THR  15          2HG2      THR  15  10.207  -2.656 -14.273
  Start of MODEL    8
    1    H1   ASP   1           1H       ASP   1   6.154  -0.970  -2.161
    2    H2   ASP   1           2H       ASP   1   5.215  -0.713  -0.846
    3    H3   ASP   1           3H       ASP   1   5.435   0.499  -1.945
    4    HA   ASP   1           HA       ASP   1   3.259  -0.508  -2.150
    5    HB2  ASP   1           1HB      ASP   1   5.148  -0.865  -4.508
    6    HB3  ASP   1           2HB      ASP   1   3.392  -1.023  -4.604
    7    H    TRP   2           H        TRP   2   2.003  -2.381  -2.329
    8    HA   TRP   2           HA       TRP   2   3.473  -4.958  -2.108
    9    HB2  TRP   2           1HB      TRP   2   1.801  -5.727  -0.615
   10    HB3  TRP   2           2HB      TRP   2   2.378  -4.191  -0.015
   11    HD1  TRP   2           HD1      TRP   2   0.639  -2.045  -0.416
   12    HE1  TRP   2           HE1      TRP   2  -1.909  -1.962  -0.374
   13    HE3  TRP   2           HE3      TRP   2  -0.340  -7.042  -1.028
   14    HZ2  TRP   2           HZ2      TRP   2  -4.121  -3.829  -0.615
   15    HZ3  TRP   2           HZ3      TRP   2  -2.675  -7.858  -1.114
   16    HH2  TRP   2           HH2      TRP   2  -4.574  -6.263  -0.917
   17    H    GLU   3           H        GLU   3   2.779  -3.784  -4.640
   18    HA   GLU   3           HA       GLU   3   0.345  -4.829  -5.696
   19    HB2  GLU   3           1HB      GLU   3   2.933  -3.754  -6.867
   20    HB3  GLU   3           2HB      GLU   3   1.832  -4.670  -7.885
   21    HG2  GLU   3           1HG      GLU   3  -0.042  -3.101  -7.058
   22    HG3  GLU   3           2HG      GLU   3   1.264  -2.056  -6.465
   23    H    TYR   4           H        TYR   4   0.039  -6.563  -7.110
   24    HA   TYR   4           HA       TYR   4   0.971  -9.063  -6.241
   25    HB2  TYR   4           1HB      TYR   4  -1.164  -8.675  -7.358
   26    HB3  TYR   4           2HB      TYR   4  -0.334  -8.194  -8.833
   27    HD1  TYR   4           HD2      TYR   4  -0.665 -11.111  -6.474
   28    HD2  TYR   4           HD1      TYR   4   0.009  -9.791 -10.528
   29    HE1  TYR   4           HE2      TYR   4  -0.769 -13.462  -7.253
   30    HE2  TYR   4           HE1      TYR   4  -0.107 -12.132 -11.319
   31    HH   TYR   4           HH       TYR   4  -0.420 -14.362 -10.723
   32    H    HIS   5           H        HIS   5   2.347 -10.551  -7.127
   33    HA   HIS   5           HA       HIS   5   4.446  -9.601  -9.018
   34    HB2  HIS   5           1HB      HIS   5   5.961 -11.172  -7.941
   35    HB3  HIS   5           2HB      HIS   5   5.365  -9.975  -6.778
   36    HD2  HIS   5           HD2      HIS   5   3.528 -10.877  -4.926
   37    HE1  HIS   5           HE1      HIS   5   4.344 -15.017  -5.469
   38    HE2  HIS   5           HE2      HIS   5   3.188 -13.301  -3.982
   39    H    ALA   6           H        ALA   6   4.879 -10.971 -10.758
   40    HA   ALA   6           HA       ALA   6   2.876 -13.017 -11.378
   41    HB1  ALA   6           3HB      ALA   6   3.591 -11.558 -13.195
   42    HB2  ALA   6           1HB      ALA   6   5.296 -11.970 -12.915
   43    HB3  ALA   6           2HB      ALA   6   4.166 -13.198 -13.521
   44    H    HIS   7           H        HIS   7   3.453 -15.183 -11.815
   45    HA   HIS   7           HA       HIS   7   5.493 -16.291 -10.051
   46    HB2  HIS   7           1HB      HIS   7   3.512 -17.516 -10.059
   47    HB3  HIS   7           2HB      HIS   7   3.350 -17.490 -11.805
   48    HD1  HIS   7           HD1      HIS   7   6.101 -18.965  -9.419
   49    HD2  HIS   7           HD2      HIS   7   3.817 -19.778 -12.867
   50    HE1  HIS   7           HE1      HIS   7   6.804 -21.273 -10.220
   51    HA   PRO   8           HA       PRO   8   7.667 -17.777 -13.931
   52    HB2  PRO   8           1HB      PRO   8   6.996 -17.151 -16.486
   53    HB3  PRO   8           2HB      PRO   8   6.174 -18.439 -15.548
   54    HG2  PRO   8           1HG      PRO   8   5.322 -15.559 -15.902
   55    HG3  PRO   8           2HG      PRO   8   4.334 -17.031 -16.184
   56    HD2  PRO   8           1HD      PRO   8   4.192 -15.652 -13.857
   57    HD3  PRO   8           2HD      PRO   8   4.159 -17.446 -13.865
   58    H    LYS   9           H        LYS   9   6.535 -14.393 -14.470
   59    HA   LYS   9           HA       LYS   9   9.220 -13.571 -15.333
   60    HB2  LYS   9           1HB      LYS   9   7.283 -12.893 -16.594
   61    HB3  LYS   9           2HB      LYS   9   6.557 -12.120 -15.174
   62    HG2  LYS   9           1HG      LYS   9   8.412 -10.497 -15.095
   63    HG3  LYS   9           2HG      LYS   9   9.173 -11.257 -16.498
   64    HD2  LYS   9           1HD      LYS   9   6.377 -10.048 -16.507
   65    HD3  LYS   9           2HD      LYS   9   7.818  -9.133 -16.921
   66    HE2  LYS   9           1HE      LYS   9   6.939 -11.661 -18.389
   67    HE3  LYS   9           2HE      LYS   9   6.506 -10.022 -18.883
   68    HZ1  LYS   9           3HZ      LYS   9   9.269 -11.067 -18.727
   69    HZ2  LYS   9           1HZ      LYS   9   8.860  -9.532 -19.144
   70    HZ3  LYS   9           2HZ      LYS   9   8.422 -10.788 -20.091
   71    HA   HYP  10           HA       HYP  10   9.942 -12.187 -11.110
   72    HB2  HYP  10           1HB      HYP  10  12.301 -10.823 -11.453
   73    HB3  HYP  10           2HB      HYP  10  12.181 -12.617 -11.484
   74    HG   HYP  10           HG       HYP  10  12.311 -10.639 -13.736
   75   HD22  HYP  10          1HD       HYP  10  10.802 -11.708 -15.036
   76   HD23  HYP  10          2HD       HYP  10  11.210 -13.337 -14.417
   77    HD1  HYP  10           HOD      HYP  10  13.310 -13.288 -13.417
   78    H    ASN  11           H        ASN  11  10.454 -10.101  -9.976
   79    HA   ASN  11           HA       ASN  11   8.432  -8.254 -10.310
   80    HB2  ASN  11           1HB      ASN  11  11.109  -8.066  -8.874
   81    HB3  ASN  11           2HB      ASN  11   9.904  -6.786  -8.802
   82   HD21  ASN  11          1HD2      ASN  11   9.375  -6.931  -6.593
   83   HD22  ASN  11          2HD2      ASN  11   8.608  -8.339  -5.896
   84    H    SER  12           H        SER  12  11.815  -7.135 -10.556
   85    HA   SER  12           HA       SER  12  11.249  -4.894 -12.116
   86    HB2  SER  12           1HB      SER  12  13.885  -6.407 -12.066
   87    HB3  SER  12           2HB      SER  12  13.644  -4.661 -12.231
   88    HG   SER  12           HG       SER  12  12.982  -4.587 -10.063
   89    H    DPN  13           H        DPN  13  11.582  -8.190 -13.041
   90    HA   DPN  13           HA       DPN  13  10.929  -9.239 -14.855
   91    HB2  DPN  13           1HB      DPN  13  13.184  -9.476 -15.250
   92    HB3  DPN  13           2HB      DPN  13  12.506  -9.027 -16.786
   93    HD1  DPN  13           HD1      DPN  13  13.338  -7.051 -17.942
   94    HD2  DPN  13           HD2      DPN  13  14.447  -7.809 -13.836
   95    HE1  DPN  13           HE1      DPN  13  15.103  -5.313 -18.094
   96    HE2  DPN  13           HE2      DPN  13  16.217  -6.069 -14.001
   97    HZ   DPN  13           HZ       DPN  13  16.545  -4.820 -16.129
   98    H    TRP  14           H        TRP  14   9.301  -6.942 -14.448
   99    HA   TRP  14           HA       TRP  14   7.903  -6.930 -16.939
  100    HB2  TRP  14           1HB      TRP  14   7.645  -5.588 -14.272
  101    HB3  TRP  14           2HB      TRP  14   6.783  -4.857 -15.617
  102    HD1  TRP  14           HD1      TRP  14   5.429  -7.031 -17.157
  103    HE1  TRP  14           HE1      TRP  14   3.617  -8.512 -16.135
  104    HE3  TRP  14           HE3      TRP  14   6.677  -6.480 -12.248
  105    HZ2  TRP  14           HZ2      TRP  14   2.744  -9.281 -13.456
  106    HZ3  TRP  14           HZ3      TRP  14   5.378  -7.550 -10.498
  107    HH2  TRP  14           HH2      TRP  14   3.357  -8.944 -11.067
  108    H    THR  15           H        THR  15  10.617  -4.901 -16.008
  109    HA   THR  15           HA       THR  15  10.382  -3.438 -18.464
  110    HB   THR  15           HB       THR  15   8.600  -2.301 -17.319
  111    HG1  THR  15           HG1      THR  15   9.667  -1.029 -18.709
  112   HG21  THR  15          3HG2      THR  15  10.527  -1.286 -15.212
  113   HG22  THR  15          1HG2      THR  15   9.309  -2.554 -14.946
  114   HG23  THR  15          2HG2      THR  15   8.803  -0.920 -15.391
  Start of MODEL    9
    1    H1   ASP   1           1H       ASP   1   1.472   1.443  -3.360
    2    H2   ASP   1           2H       ASP   1   0.593   0.978  -2.062
    3    H3   ASP   1           3H       ASP   1   0.008   2.132  -3.075
    4    HA   ASP   1           HA       ASP   1  -1.091   0.012  -3.436
    5    HB2  ASP   1           1HB      ASP   1   0.655   1.006  -5.721
    6    HB3  ASP   1           2HB      ASP   1  -0.627  -0.198  -5.898
    7    H    TRP   2           H        TRP   2  -0.692  -2.026  -2.693
    8    HA   TRP   2           HA       TRP   2   1.991  -3.214  -2.992
    9    HB2  TRP   2           1HB      TRP   2   0.711  -3.384  -0.861
   10    HB3  TRP   2           2HB      TRP   2  -0.516  -4.336  -1.688
   11    HD1  TRP   2           HD1      TRP   2   3.256  -4.465  -0.859
   12    HE1  TRP   2           HE1      TRP   2   4.001  -6.884  -0.556
   13    HE3  TRP   2           HE3      TRP   2  -1.133  -6.815  -2.086
   14    HZ2  TRP   2           HZ2      TRP   2   2.842  -9.532  -0.811
   15    HZ3  TRP   2           HZ3      TRP   2  -1.279  -9.287  -2.042
   16    HH2  TRP   2           HH2      TRP   2   0.697 -10.656  -1.407
   17    H    GLU   3           H        GLU   3   2.016  -3.265  -5.300
   18    HA   GLU   3           HA       GLU   3   0.048  -4.848  -6.761
   19    HB2  GLU   3           1HB      GLU   3   1.304  -2.857  -7.710
   20    HB3  GLU   3           2HB      GLU   3   2.775  -3.827  -7.664
   21    HG2  GLU   3           1HG      GLU   3   1.924  -3.935  -9.892
   22    HG3  GLU   3           2HG      GLU   3   1.631  -5.513  -9.173
   23    H    TYR   4           H        TYR   4   0.072  -7.053  -6.706
   24    HA   TYR   4           HA       TYR   4   2.209  -8.518  -5.474
   25    HB2  TYR   4           1HB      TYR   4  -0.147  -9.114  -5.305
   26    HB3  TYR   4           2HB      TYR   4  -0.220  -9.410  -7.040
   27    HD1  TYR   4           HD1      TYR   4   1.860 -10.495  -4.071
   28    HD2  TYR   4           HD2      TYR   4  -0.136 -11.648  -7.718
   29    HE1  TYR   4           HE1      TYR   4   2.535 -12.844  -3.690
   30    HE2  TYR   4           HE2      TYR   4   0.535 -14.002  -7.349
   31    HH   TYR   4           HH       TYR   4   2.469 -15.033  -4.492
   32    H    HIS   5           H        HIS   5   3.654  -9.919  -6.379
   33    HA   HIS   5           HA       HIS   5   4.704  -9.226  -8.981
   34    HB2  HIS   5           1HB      HIS   5   6.432 -10.848  -8.538
   35    HB3  HIS   5           2HB      HIS   5   6.193  -9.775  -7.152
   36    HD2  HIS   5           HD2      HIS   5   5.647 -13.471  -8.211
   37    HE1  HIS   5           HE1      HIS   5   5.192 -13.294  -3.989
   38    HE2  HIS   5           HE2      HIS   5   5.316 -14.844  -6.007
   39    H    ALA   6           H        ALA   6   4.873 -10.526 -10.845
   40    HA   ALA   6           HA       ALA   6   2.571 -12.240 -11.337
   41    HB1  ALA   6           3HB      ALA   6   3.355 -10.686 -13.085
   42    HB2  ALA   6           1HB      ALA   6   4.949 -11.472 -13.092
   43    HB3  ALA   6           2HB      ALA   6   3.515 -12.363 -13.637
   44    H    HIS   7           H        HIS   7   2.755 -14.418 -12.031
   45    HA   HIS   7           HA       HIS   7   4.743 -15.996 -10.609
   46    HB2  HIS   7           1HB      HIS   7   2.634 -16.954 -10.565
   47    HB3  HIS   7           2HB      HIS   7   2.313 -16.658 -12.263
   48    HD1  HIS   7           HD1      HIS   7   5.072 -18.806 -10.462
   49    HD2  HIS   7           HD2      HIS   7   2.272 -18.834 -13.611
   50    HE1  HIS   7           HE1      HIS   7   5.313 -21.055 -11.619
   51    HA   PRO   8           HA       PRO   8   6.386 -17.323 -14.797
   52    HB2  PRO   8           1HB      PRO   8   5.638 -16.313 -17.204
   53    HB3  PRO   8           2HB      PRO   8   4.695 -17.568 -16.339
   54    HG2  PRO   8           1HG      PRO   8   4.275 -14.573 -16.303
   55    HG3  PRO   8           2HG      PRO   8   3.055 -15.844 -16.659
   56    HD2  PRO   8           1HD      PRO   8   3.284 -14.751 -14.194
   57    HD3  PRO   8           2HD      PRO   8   2.986 -16.510 -14.390
   58    H    LYS   9           H        LYS   9   5.775 -13.778 -14.770
   59    HA   LYS   9           HA       LYS   9   8.477 -13.251 -15.822
   60    HB2  LYS   9           1HB      LYS   9   6.553 -12.184 -16.813
   61    HB3  LYS   9           2HB      LYS   9   6.107 -11.432 -15.266
   62    HG2  LYS   9           1HG      LYS   9   8.294 -10.208 -15.292
   63    HG3  LYS   9           2HG      LYS   9   8.644 -10.899 -16.879
   64    HD2  LYS   9           1HD      LYS   9   6.292  -9.056 -16.214
   65    HD3  LYS   9           2HD      LYS   9   7.816  -8.575 -16.938
   66    HE2  LYS   9           1HE      LYS   9   6.551  -8.712 -18.821
   67    HE3  LYS   9           2HE      LYS   9   7.289 -10.314 -18.809
   68    HZ1  LYS   9           3HZ      LYS   9   5.200 -11.157 -17.862
   69    HZ2  LYS   9           1HZ      LYS   9   4.929 -10.395 -19.280
   70    HZ3  LYS   9           2HZ      LYS   9   4.550  -9.649 -17.880
   71    HA   HYP  10           HA       HYP  10   9.678 -12.584 -11.548
   72    HB2  HYP  10           1HB      HYP  10  12.208 -11.582 -11.906
   73    HB3  HYP  10           2HB      HYP  10  11.776 -13.307 -12.165
   74    HG   HYP  10           HG       HYP  10  12.123 -11.086 -14.161
   75   HD22  HYP  10          1HD       HYP  10  10.354 -11.715 -15.445
   76   HD23  HYP  10          2HD       HYP  10  10.523 -13.453 -15.054
   77    HD1  HYP  10           HOD      HYP  10  13.724 -12.674 -14.026
   78    H    ASN  11           H        ASN  11  10.666 -10.758 -10.213
   79    HA   ASN  11           HA       ASN  11   8.880  -8.648 -10.121
   80    HB2  ASN  11           1HB      ASN  11  10.189  -9.475  -8.212
   81    HB3  ASN  11           2HB      ASN  11  11.675  -8.843  -8.936
   82   HD21  ASN  11          1HD2      ASN  11   8.382  -7.786  -7.798
   83   HD22  ASN  11          2HD2      ASN  11   8.897  -6.195  -7.290
   84    H    SER  12           H        SER  12  12.363  -7.900 -10.494
   85    HA   SER  12           HA       SER  12  12.007  -5.438 -11.721
   86    HB2  SER  12           1HB      SER  12  14.384  -7.275 -12.167
   87    HB3  SER  12           2HB      SER  12  14.376  -5.506 -12.066
   88    HG   SER  12           HG       SER  12  15.127  -6.473 -10.116
   89    H    DPN  13           H        DPN  13  11.776  -8.593 -13.066
   90    HA   DPN  13           HA       DPN  13  10.857  -9.356 -14.912
   91    HB2  DPN  13           1HB      DPN  13  12.969  -9.792 -15.588
   92    HB3  DPN  13           2HB      DPN  13  12.312  -8.959 -16.965
   93    HD1  DPN  13           HD1      DPN  13  14.573  -8.689 -14.014
   94    HD2  DPN  13           HD2      DPN  13  13.336  -6.869 -17.728
   95    HE1  DPN  13           HE1      DPN  13  16.555  -7.187 -13.947
   96    HE2  DPN  13           HE2      DPN  13  15.303  -5.358 -17.643
   97    HZ   DPN  13           HZ       DPN  13  16.917  -5.514 -15.754
   98    H    TRP  14           H        TRP  14   9.615  -6.837 -14.084
   99    HA   TRP  14           HA       TRP  14   7.938  -6.330 -16.322
  100    HB2  TRP  14           1HB      TRP  14   8.442  -5.054 -13.640
  101    HB3  TRP  14           2HB      TRP  14   7.460  -4.192 -14.814
  102    HD1  TRP  14           HD1      TRP  14   5.520  -6.222 -15.973
  103    HE1  TRP  14           HE1      TRP  14   3.683  -7.248 -14.527
  104    HE3  TRP  14           HE3      TRP  14   7.701  -5.590 -11.417
  105    HZ2  TRP  14           HZ2      TRP  14   3.153  -7.598 -11.667
  106    HZ3  TRP  14           HZ3      TRP  14   6.574  -6.307  -9.372
  107    HH2  TRP  14           HH2      TRP  14   4.235  -7.191  -9.454
  108    H    THR  15           H        THR  15  11.147  -5.130 -15.833
  109    HA   THR  15           HA       THR  15  10.681  -2.584 -17.198
  110    HB   THR  15           HB       THR  15  13.351  -3.825 -16.434
  111    HG1  THR  15           HG1      THR  15  12.242  -3.803 -14.577
  112   HG21  THR  15          3HG2      THR  15  13.451  -1.818 -17.884
  113   HG22  THR  15          1HG2      THR  15  14.032  -1.453 -16.253
  114   HG23  THR  15          2HG2      THR  15  12.405  -0.934 -16.754
  Start of MODEL   10
    1    H1   ASP   1           1H       ASP   1   3.968  -0.974   0.323
    2    H2   ASP   1           2H       ASP   1   5.479  -0.641  -0.238
    3    H3   ASP   1           3H       ASP   1   5.184  -2.033   0.589
    4    HA   ASP   1           HA       ASP   1   4.049  -1.357  -2.030
    5    HB2  ASP   1           1HB      ASP   1   6.382  -1.821  -2.321
    6    HB3  ASP   1           2HB      ASP   1   6.297  -3.238  -1.260
    7    H    TRP   2           H        TRP   2   2.323  -2.556  -2.644
    8    HA   TRP   2           HA       TRP   2   1.840  -5.157  -1.416
    9    HB2  TRP   2           1HB      TRP   2  -0.492  -4.672  -0.898
   10    HB3  TRP   2           2HB      TRP   2   0.523  -3.541  -0.035
   11    HD1  TRP   2           HD1      TRP   2   0.631  -0.986  -1.111
   12    HE1  TRP   2           HE1      TRP   2  -1.150   0.393  -2.303
   13    HE3  TRP   2           HE3      TRP   2  -2.578  -4.769  -2.412
   14    HZ2  TRP   2           HZ2      TRP   2  -3.662  -0.076  -3.678
   15    HZ3  TRP   2           HZ3      TRP   2  -4.656  -4.268  -3.660
   16    HH2  TRP   2           HH2      TRP   2  -5.208  -1.930  -4.304
   17    H    GLU   3           H        GLU   3   2.709  -4.053  -4.048
   18    HA   GLU   3           HA       GLU   3   0.488  -4.640  -5.863
   19    HB2  GLU   3           1HB      GLU   3   3.091  -3.413  -6.140
   20    HB3  GLU   3           2HB      GLU   3   3.002  -4.757  -7.268
   21    HG2  GLU   3           1HG      GLU   3   0.859  -2.601  -7.030
   22    HG3  GLU   3           2HG      GLU   3   2.236  -2.498  -8.117
   23    H    TYR   4           H        TYR   4   0.359  -6.443  -7.263
   24    HA   TYR   4           HA       TYR   4   1.061  -8.974  -6.088
   25    HB2  TYR   4           1HB      TYR   4  -0.971  -8.558  -7.381
   26    HB3  TYR   4           2HB      TYR   4  -0.021  -8.200  -8.814
   27    HD1  TYR   4           HD2      TYR   4  -0.480 -10.966  -6.280
   28    HD2  TYR   4           HD1      TYR   4   0.270  -9.913 -10.399
   29    HE1  TYR   4           HE2      TYR   4  -0.550 -13.362  -6.899
   30    HE2  TYR   4           HE1      TYR   4   0.184 -12.306 -11.031
   31    HH   TYR   4           HH       TYR   4  -0.390 -14.920  -8.623
   32    H    HIS   5           H        HIS   5   2.471 -10.543  -6.901
   33    HA   HIS   5           HA       HIS   5   4.619  -9.669  -8.770
   34    HB2  HIS   5           1HB      HIS   5   6.112 -11.187  -7.645
   35    HB3  HIS   5           2HB      HIS   5   5.487  -9.999  -6.488
   36    HD2  HIS   5           HD2      HIS   5   5.809 -13.719  -7.076
   37    HE1  HIS   5           HE1      HIS   5   3.190 -13.367  -3.741
   38    HE2  HIS   5           HE2      HIS   5   4.583 -14.984  -5.131
   39    H    ALA   6           H        ALA   6   4.917 -11.000 -10.533
   40    HA   ALA   6           HA       ALA   6   2.932 -13.088 -11.043
   41    HB1  ALA   6           3HB      ALA   6   4.118 -13.247 -13.251
   42    HB2  ALA   6           1HB      ALA   6   3.531 -11.621 -12.891
   43    HB3  ALA   6           2HB      ALA   6   5.256 -12.002 -12.699
   44    H    HIS   7           H        HIS   7   3.591 -15.221 -11.678
   45    HA   HIS   7           HA       HIS   7   5.730 -16.340 -10.013
   46    HB2  HIS   7           1HB      HIS   7   3.767 -17.598  -9.928
   47    HB3  HIS   7           2HB      HIS   7   3.508 -17.554 -11.661
   48    HD1  HIS   7           HD1      HIS   7   6.403 -18.994  -9.428
   49    HD2  HIS   7           HD2      HIS   7   3.993 -19.810 -12.789
   50    HE1  HIS   7           HE1      HIS   7   7.126 -21.271 -10.295
   51    HA   PRO   8           HA       PRO   8   7.667 -17.679 -14.063
   52    HB2  PRO   8           1HB      PRO   8   6.805 -17.036 -16.555
   53    HB3  PRO   8           2HB      PRO   8   6.076 -18.354 -15.583
   54    HG2  PRO   8           1HG      PRO   8   5.145 -15.485 -15.820
   55    HG3  PRO   8           2HG      PRO   8   4.169 -16.972 -16.073
   56    HD2  PRO   8           1HD      PRO   8   4.146 -15.659 -13.708
   57    HD3  PRO   8           2HD      PRO   8   4.168 -17.453 -13.760
   58    H    LYS   9           H        LYS   9   6.450 -14.303 -14.324
   59    HA   LYS   9           HA       LYS   9   9.037 -13.417 -15.423
   60    HB2  LYS   9           1HB      LYS   9   6.903 -12.714 -16.436
   61    HB3  LYS   9           2HB      LYS   9   6.453 -11.897 -14.938
   62    HG2  LYS   9           1HG      LYS   9   7.234 -10.166 -16.314
   63    HG3  LYS   9           2HG      LYS   9   8.578 -10.481 -15.238
   64    HD2  LYS   9           1HD      LYS   9   9.503 -10.184 -17.407
   65    HD3  LYS   9           2HD      LYS   9   9.603 -11.922 -17.100
   66    HE2  LYS   9           1HE      LYS   9   7.546 -12.281 -18.445
   67    HE3  LYS   9           2HE      LYS   9   7.398 -10.536 -18.696
   68    HZ1  LYS   9           3HZ      LYS   9   9.632 -12.217 -19.671
   69    HZ2  LYS   9           1HZ      LYS   9   9.501 -10.598 -19.896
   70    HZ3  LYS   9           2HZ      LYS   9   8.422 -11.611 -20.583
   71    HA   HYP  10           HA       HYP  10  10.026 -12.178 -11.194
   72    HB2  HYP  10           1HB      HYP  10  12.390 -10.846 -11.655
   73    HB3  HYP  10           2HB      HYP  10  12.229 -12.633 -11.652
   74    HG   HYP  10           HG       HYP  10  12.395 -10.716 -13.947
   75   HD22  HYP  10          1HD       HYP  10  10.692 -11.610 -15.124
   76   HD23  HYP  10          2HD       HYP  10  11.052 -13.288 -14.624
   77    HD1  HYP  10           HOD      HYP  10  13.537 -12.452 -14.843
   78    H    ASN  11           H        ASN  11  10.647 -10.100 -10.082
   79    HA   ASN  11           HA       ASN  11   8.571  -8.285 -10.265
   80    HB2  ASN  11           1HB      ASN  11  11.325  -8.033  -8.994
   81    HB3  ASN  11           2HB      ASN  11  10.042  -6.847  -8.756
   82   HD21  ASN  11          1HD2      ASN  11   8.041  -7.509  -7.618
   83   HD22  ASN  11          2HD2      ASN  11   8.072  -8.905  -6.567
   84    H    SER  12           H        SER  12  11.894  -7.037 -10.634
   85    HA   SER  12           HA       SER  12  11.198  -4.827 -12.169
   86    HB2  SER  12           1HB      SER  12  13.889  -6.231 -12.261
   87    HB3  SER  12           2HB      SER  12  13.556  -4.494 -12.360
   88    HG   SER  12           HG       SER  12  14.318  -5.101 -10.271
   89    H    DPN  13           H        DPN  13  11.616  -8.106 -13.116
   90    HA   DPN  13           HA       DPN  13  10.897  -9.167 -14.910
   91    HB2  DPN  13           1HB      DPN  13  13.152  -9.355 -15.375
   92    HB3  DPN  13           2HB      DPN  13  12.398  -8.947 -16.887
   93    HD1  DPN  13           HD1      DPN  13  13.121  -6.957 -18.100
   94    HD2  DPN  13           HD2      DPN  13  14.438  -7.648 -14.044
   95    HE1  DPN  13           HE1      DPN  13  14.831  -5.176 -18.348
   96    HE2  DPN  13           HE2      DPN  13  16.153  -5.866 -14.305
   97    HZ   DPN  13           HZ       DPN  13  16.350  -4.629 -16.456
   98    H    TRP  14           H        TRP  14   9.178  -7.039 -14.425
   99    HA   TRP  14           HA       TRP  14   7.706  -7.052 -16.841
  100    HB2  TRP  14           1HB      TRP  14   7.515  -5.711 -14.168
  101    HB3  TRP  14           2HB      TRP  14   6.572  -4.999 -15.466
  102    HD1  TRP  14           HD1      TRP  14   5.221  -7.221 -16.954
  103    HE1  TRP  14           HE1      TRP  14   3.461  -8.702 -15.848
  104    HE3  TRP  14           HE3      TRP  14   6.668  -6.630 -12.102
  105    HZ2  TRP  14           HZ2      TRP  14   2.660  -9.397 -13.125
  106    HZ3  TRP  14           HZ3      TRP  14   5.433  -7.673 -10.291
  107    HH2  TRP  14           HH2      TRP  14   3.367  -9.037 -10.765
  108    H    THR  15           H        THR  15  10.348  -4.869 -16.030
  109    HA   THR  15           HA       THR  15   9.893  -3.381 -18.455
  110    HB   THR  15           HB       THR  15   8.167  -2.353 -17.163
  111    HG1  THR  15           HG1      THR  15   8.709  -0.276 -17.568
  112   HG21  THR  15          3HG2      THR  15   8.448  -1.014 -15.202
  113   HG22  THR  15          1HG2      THR  15  10.191  -1.318 -15.150
  114   HG23  THR  15          2HG2      THR  15   9.042  -2.639 -14.846
  Start of MODEL   11
    1    H1   ASP   1           1H       ASP   1   3.164  -0.097  -0.427
    2    H2   ASP   1           2H       ASP   1   1.753  -0.163   0.402
    3    H3   ASP   1           3H       ASP   1   2.187   1.228  -0.370
    4    HA   ASP   1           HA       ASP   1   0.465   0.040  -1.570
    5    HB2  ASP   1           1HB      ASP   1   3.175   0.338  -2.916
    6    HB3  ASP   1           2HB      ASP   1   1.697  -0.092  -3.785
    7    H    TRP   2           H        TRP   2  -0.403  -1.956  -1.887
    8    HA   TRP   2           HA       TRP   2   1.302  -4.346  -1.606
    9    HB2  TRP   2           1HB      TRP   2  -1.000  -4.056  -0.528
   10    HB3  TRP   2           2HB      TRP   2  -1.689  -4.268  -2.127
   11    HD1  TRP   2           HD1      TRP   2   0.188  -6.081   0.643
   12    HE1  TRP   2           HE1      TRP   2   0.026  -8.609   0.364
   13    HE3  TRP   2           HE3      TRP   2  -2.087  -6.249  -3.960
   14    HZ2  TRP   2           HZ2      TRP   2  -0.918 -10.489  -1.626
   15    HZ3  TRP   2           HZ3      TRP   2  -2.576  -8.426  -5.025
   16    HH2  TRP   2           HH2      TRP   2  -2.001 -10.553  -3.871
   17    H    GLU   3           H        GLU   3   2.579  -3.691  -3.507
   18    HA   GLU   3           HA       GLU   3   1.309  -3.845  -6.146
   19    HB2  GLU   3           1HB      GLU   3   3.225  -2.351  -5.728
   20    HB3  GLU   3           2HB      GLU   3   4.250  -3.745  -5.354
   21    HG2  GLU   3           1HG      GLU   3   3.978  -4.597  -7.644
   22    HG3  GLU   3           2HG      GLU   3   2.799  -3.335  -8.009
   23    H    TYR   4           H        TYR   4   0.787  -5.756  -7.042
   24    HA   TYR   4           HA       TYR   4   1.491  -8.275  -5.876
   25    HB2  TYR   4           1HB      TYR   4  -0.636  -7.785  -6.992
   26    HB3  TYR   4           2HB      TYR   4   0.198  -7.543  -8.520
   27    HD1  TYR   4           HD2      TYR   4  -0.086 -10.170  -5.815
   28    HD2  TYR   4           HD1      TYR   4   0.140  -9.330 -10.042
   29    HE1  TYR   4           HE2      TYR   4  -0.372 -12.582  -6.306
   30    HE2  TYR   4           HE1      TYR   4  -0.161 -11.733 -10.545
   31    HH   TYR   4           HH       TYR   4  -0.468 -13.869  -9.668
   32    H    HIS   5           H        HIS   5   2.703  -9.968  -6.835
   33    HA   HIS   5           HA       HIS   5   4.780  -9.195  -8.826
   34    HB2  HIS   5           1HB      HIS   5   6.276 -10.761  -7.774
   35    HB3  HIS   5           2HB      HIS   5   5.779  -9.531  -6.599
   36    HD2  HIS   5           HD2      HIS   5   4.002 -10.370  -4.647
   37    HE1  HIS   5           HE1      HIS   5   4.705 -14.532  -5.182
   38    HE2  HIS   5           HE2      HIS   5   3.659 -12.777  -3.660
   39    H    ALA   6           H        ALA   6   5.076 -10.678 -10.507
   40    HA   ALA   6           HA       ALA   6   2.934 -12.645 -10.922
   41    HB1  ALA   6           3HB      ALA   6   5.257 -11.725 -12.673
   42    HB2  ALA   6           1HB      ALA   6   4.061 -12.946 -13.148
   43    HB3  ALA   6           2HB      ALA   6   3.546 -11.283 -12.838
   44    H    HIS   7           H        HIS   7   3.416 -14.840 -11.388
   45    HA   HIS   7           HA       HIS   7   5.529 -15.992  -9.735
   46    HB2  HIS   7           1HB      HIS   7   3.524 -17.150  -9.561
   47    HB3  HIS   7           2HB      HIS   7   3.203 -17.126 -11.284
   48    HD1  HIS   7           HD1      HIS   7   6.126 -18.695  -9.175
   49    HD2  HIS   7           HD2      HIS   7   3.445 -19.448 -12.339
   50    HE1  HIS   7           HE1      HIS   7   6.642 -21.038 -10.013
   51    HA   PRO   8           HA       PRO   8   7.342 -17.676 -13.715
   52    HB2  PRO   8           1HB      PRO   8   6.507 -17.099 -16.234
   53    HB3  PRO   8           2HB      PRO   8   5.704 -18.319 -15.194
   54    HG2  PRO   8           1HG      PRO   8   4.952 -15.415 -15.580
   55    HG3  PRO   8           2HG      PRO   8   3.883 -16.849 -15.740
   56    HD2  PRO   8           1HD      PRO   8   3.974 -15.396 -13.456
   57    HD3  PRO   8           2HD      PRO   8   3.866 -17.187 -13.402
   58    H    LYS   9           H        LYS   9   6.313 -14.268 -14.262
   59    HA   LYS   9           HA       LYS   9   8.960 -13.567 -15.333
   60    HB2  LYS   9           1HB      LYS   9   6.967 -12.871 -16.490
   61    HB3  LYS   9           2HB      LYS   9   6.350 -12.045 -15.051
   62    HG2  LYS   9           1HG      LYS   9   8.244 -10.459 -15.143
   63    HG3  LYS   9           2HG      LYS   9   8.874 -11.263 -16.585
   64    HD2  LYS   9           1HD      LYS   9   6.085 -10.048 -16.403
   65    HD3  LYS   9           2HD      LYS   9   7.481  -9.116 -16.912
   66    HE2  LYS   9           1HE      LYS   9   6.603 -11.679 -18.313
   67    HE3  LYS   9           2HE      LYS   9   6.021 -10.075 -18.765
   68    HZ1  LYS   9           3HZ      LYS   9   8.855 -10.920 -18.835
   69    HZ2  LYS   9           1HZ      LYS   9   8.306  -9.423 -19.218
   70    HZ3  LYS   9           2HZ      LYS   9   7.876 -10.711 -20.126
   71    HA   HYP  10           HA       HYP  10   9.978 -12.088 -11.203
   72    HB2  HYP  10           1HB      HYP  10  12.345 -10.796 -11.725
   73    HB3  HYP  10           2HB      HYP  10  12.175 -12.583 -11.697
   74    HG   HYP  10           HG       HYP  10  12.217 -10.683 -14.022
   75   HD22  HYP  10          1HD       HYP  10  10.604 -11.771 -15.193
   76   HD23  HYP  10          2HD       HYP  10  11.008 -13.378 -14.525
   77    HD1  HYP  10           HOD      HYP  10  13.169 -13.346 -13.668
   78    H    ASN  11           H        ASN  11  10.614  -9.968 -10.167
   79    HA   ASN  11           HA       ASN  11   8.560  -8.135 -10.444
   80    HB2  ASN  11           1HB      ASN  11  11.305  -7.908  -9.151
   81    HB3  ASN  11           2HB      ASN  11  10.109  -6.622  -9.051
   82   HD21  ASN  11          1HD2      ASN  11  10.419  -7.044  -6.657
   83   HD22  ASN  11          2HD2      ASN  11   9.403  -8.263  -5.924
   84    H    SER  12           H        SER  12  11.968  -7.165 -10.991
   85    HA   SER  12           HA       SER  12  11.363  -4.863 -12.489
   86    HB2  SER  12           1HB      SER  12  13.918  -5.291 -13.086
   87    HB3  SER  12           2HB      SER  12  13.422  -4.817 -11.458
   88    HG   SER  12           HG       SER  12  14.871  -6.596 -11.413
   89    H    DPN  13           H        DPN  13  11.518  -8.192 -13.330
   90    HA   DPN  13           HA       DPN  13  10.772  -9.319 -15.063
   91    HB2  DPN  13           1HB      DPN  13  12.986  -9.515 -15.614
   92    HB3  DPN  13           2HB      DPN  13  12.203  -9.105 -17.112
   93    HD1  DPN  13           HD1      DPN  13  12.894  -7.111 -18.340
   94    HD2  DPN  13           HD2      DPN  13  14.333  -7.814 -14.327
   95    HE1  DPN  13           HE1      DPN  13  14.605  -5.339 -18.640
   96    HE2  DPN  13           HE2      DPN  13  16.054  -6.049 -14.645
   97    HZ   DPN  13           HZ       DPN  13  16.188  -4.806 -16.797
   98    H    TRP  14           H        TRP  14   9.215  -6.866 -14.628
   99    HA   TRP  14           HA       TRP  14   7.662  -6.862 -17.059
  100    HB2  TRP  14           1HB      TRP  14   7.597  -5.466 -14.396
  101    HB3  TRP  14           2HB      TRP  14   6.639  -4.789 -15.701
  102    HD1  TRP  14           HD1      TRP  14   5.200  -7.050 -17.055
  103    HE1  TRP  14           HE1      TRP  14   3.446  -8.453 -15.842
  104    HE3  TRP  14           HE3      TRP  14   6.743  -6.227 -12.268
  105    HZ2  TRP  14           HZ2      TRP  14   2.719  -9.041 -13.075
  106    HZ3  TRP  14           HZ3      TRP  14   5.552  -7.190 -10.384
  107    HH2  TRP  14           HH2      TRP  14   3.480  -8.578 -10.749
  108    H    THR  15           H        THR  15  10.594  -5.255 -16.524
  109    HA   THR  15           HA       THR  15   9.884  -2.888 -18.134
  110    HB   THR  15           HB       THR  15  12.651  -3.638 -17.146
  111    HG1  THR  15           HG1      THR  15  11.466  -3.722 -15.337
  112   HG21  THR  15          3HG2      THR  15  12.922  -1.175 -17.051
  113   HG22  THR  15          1HG2      THR  15  11.250  -0.956 -17.620
  114   HG23  THR  15          2HG2      THR  15  12.477  -1.684 -18.681
  Start of MODEL   12
    1    H1   ASP   1           1H       ASP   1   2.748   0.389  -0.419
    2    H2   ASP   1           2H       ASP   1   1.409   0.006   0.436
    3    H3   ASP   1           3H       ASP   1   1.559   1.506  -0.212
    4    HA   ASP   1           HA       ASP   1   0.022   0.100  -1.472
    5    HB2  ASP   1           1HB      ASP   1   1.079   1.927  -2.653
    6    HB3  ASP   1           2HB      ASP   1   2.559   0.987  -2.890
    7    H    TRP   2           H        TRP   2  -0.428  -2.047  -1.618
    8    HA   TRP   2           HA       TRP   2   1.761  -4.008  -1.601
    9    HB2  TRP   2           1HB      TRP   2  -0.312  -4.233  -0.202
   10    HB3  TRP   2           2HB      TRP   2  -1.241  -4.479  -1.673
   11    HD1  TRP   2           HD1      TRP   2   1.554  -6.082   0.419
   12    HE1  TRP   2           HE1      TRP   2   1.628  -8.599   0.021
   13    HE3  TRP   2           HE3      TRP   2  -1.916  -6.404  -3.346
   14    HZ2  TRP   2           HZ2      TRP   2   0.338 -10.534  -1.711
   15    HZ3  TRP   2           HZ3      TRP   2  -2.470  -8.601  -4.345
   16    HH2  TRP   2           HH2      TRP   2  -1.358 -10.672  -3.533
   17    H    GLU   3           H        GLU   3   2.729  -3.511  -3.611
   18    HA   GLU   3           HA       GLU   3   1.272  -3.759  -6.116
   19    HB2  GLU   3           1HB      GLU   3   3.331  -2.374  -5.829
   20    HB3  GLU   3           2HB      GLU   3   4.270  -3.846  -5.554
   21    HG2  GLU   3           1HG      GLU   3   3.663  -4.646  -7.832
   22    HG3  GLU   3           2HG      GLU   3   2.687  -3.194  -8.083
   23    H    TYR   4           H        TYR   4   0.648  -5.687  -6.989
   24    HA   TYR   4           HA       TYR   4   1.317  -8.219  -5.841
   25    HB2  TYR   4           1HB      TYR   4  -0.790  -7.730  -6.965
   26    HB3  TYR   4           2HB      TYR   4   0.051  -7.435  -8.481
   27    HD1  TYR   4           HD1      TYR   4  -0.346 -10.146  -5.886
   28    HD2  TYR   4           HD2      TYR   4   0.160  -9.173 -10.058
   29    HE1  TYR   4           HE1      TYR   4  -0.572 -12.543  -6.463
   30    HE2  TYR   4           HE2      TYR   4  -0.077 -11.566 -10.651
   31    HH   TYR   4           HH       TYR   4  -0.599 -14.126  -8.173
   32    H    HIS   5           H        HIS   5   2.580  -9.869  -6.686
   33    HA   HIS   5           HA       HIS   5   4.664  -9.157  -8.697
   34    HB2  HIS   5           1HB      HIS   5   6.118 -10.747  -7.603
   35    HB3  HIS   5           2HB      HIS   5   5.620  -9.490  -6.459
   36    HD2  HIS   5           HD2      HIS   5   5.668 -13.242  -6.948
   37    HE1  HIS   5           HE1      HIS   5   3.228 -12.621  -3.517
   38    HE2  HIS   5           HE2      HIS   5   4.446 -14.367  -4.917
   39    H    ALA   6           H        ALA   6   4.879 -10.572 -10.420
   40    HA   ALA   6           HA       ALA   6   2.754 -12.536 -10.844
   41    HB1  ALA   6           3HB      ALA   6   5.115 -11.639 -12.558
   42    HB2  ALA   6           1HB      ALA   6   3.909 -12.839 -13.061
   43    HB3  ALA   6           2HB      ALA   6   3.410 -11.175 -12.744
   44    H    HIS   7           H        HIS   7   3.251 -14.718 -11.431
   45    HA   HIS   7           HA       HIS   7   5.334 -15.959  -9.782
   46    HB2  HIS   7           1HB      HIS   7   3.303 -17.079  -9.639
   47    HB3  HIS   7           2HB      HIS   7   2.989 -17.016 -11.361
   48    HD1  HIS   7           HD1      HIS   7   3.218 -19.404 -12.367
   49    HD2  HIS   7           HD2      HIS   7   5.918 -18.561  -9.248
   50    HE1  HIS   7           HE1      HIS   7   4.665 -21.476 -12.095
   51    HA   PRO   8           HA       PRO   8   7.100 -17.516 -13.828
   52    HB2  PRO   8           1HB      PRO   8   6.236 -16.879 -16.322
   53    HB3  PRO   8           2HB      PRO   8   5.440 -18.120 -15.302
   54    HG2  PRO   8           1HG      PRO   8   4.698 -15.201 -15.603
   55    HG3  PRO   8           2HG      PRO   8   3.621 -16.625 -15.795
   56    HD2  PRO   8           1HD      PRO   8   3.734 -15.248 -13.468
   57    HD3  PRO   8           2HD      PRO   8   3.634 -17.040 -13.469
   58    H    LYS   9           H        LYS   9   6.102 -14.076 -14.213
   59    HA   LYS   9           HA       LYS   9   8.732 -13.404 -15.355
   60    HB2  LYS   9           1HB      LYS   9   6.646 -12.591 -16.378
   61    HB3  LYS   9           2HB      LYS   9   6.252 -11.707 -14.901
   62    HG2  LYS   9           1HG      LYS   9   7.131 -10.059 -16.317
   63    HG3  LYS   9           2HG      LYS   9   8.469 -10.439 -15.255
   64    HD2  LYS   9           1HD      LYS   9   9.424 -10.297 -17.404
   65    HD3  LYS   9           2HD      LYS   9   9.308 -12.037 -17.126
   66    HE2  LYS   9           1HE      LYS   9   7.216 -12.116 -18.461
   67    HE3  LYS   9           2HE      LYS   9   7.276 -10.360 -18.671
   68    HZ1  LYS   9           3HZ      LYS   9   9.285 -12.267 -19.712
   69    HZ2  LYS   9           1HZ      LYS   9   9.345 -10.637 -19.893
   70    HZ3  LYS   9           2HZ      LYS   9   8.147 -11.496 -20.594
   71    HA   HYP  10           HA       HYP  10   9.881 -12.075 -11.195
   72    HB2  HYP  10           1HB      HYP  10  12.282 -10.852 -11.748
   73    HB3  HYP  10           2HB      HYP  10  12.054 -12.631 -11.703
   74    HG   HYP  10           HG       HYP  10  12.183 -10.755 -14.040
   75   HD22  HYP  10          1HD       HYP  10  10.465 -11.670 -15.166
   76   HD23  HYP  10          2HD       HYP  10  10.785 -13.333 -14.600
   77    HD1  HYP  10           HOD      HYP  10  12.930 -13.482 -13.685
   78    H    ASN  11           H        ASN  11  10.620  -9.982 -10.166
   79    HA   ASN  11           HA       ASN  11   8.607  -8.091 -10.368
   80    HB2  ASN  11           1HB      ASN  11  11.395  -7.915  -9.170
   81    HB3  ASN  11           2HB      ASN  11  10.187  -6.652  -8.952
   82   HD21  ASN  11          1HD2      ASN  11  11.520  -8.854  -7.106
   83   HD22  ASN  11          2HD2      ASN  11  10.144  -9.472  -6.224
   84    H    SER  12           H        SER  12  11.971  -7.002 -10.860
   85    HA   SER  12           HA       SER  12  11.325  -4.824 -12.466
   86    HB2  SER  12           1HB      SER  12  13.955  -6.338 -12.552
   87    HB3  SER  12           2HB      SER  12  13.689  -4.595 -12.724
   88    HG   SER  12           HG       SER  12  14.473  -5.134 -10.628
   89    H    DPN  13           H        DPN  13  11.520  -8.154 -13.293
   90    HA   DPN  13           HA       DPN  13  10.768  -9.250 -15.042
   91    HB2  DPN  13           1HB      DPN  13  13.001  -9.503 -15.550
   92    HB3  DPN  13           2HB      DPN  13  12.231  -9.104 -17.060
   93    HD1  DPN  13           HD1      DPN  13  12.907  -7.083 -18.286
   94    HD2  DPN  13           HD2      DPN  13  14.410  -7.852 -14.311
   95    HE1  DPN  13           HE1      DPN  13  14.609  -5.303 -18.585
   96    HE2  DPN  13           HE2      DPN  13  16.126  -6.079 -14.626
   97    HZ   DPN  13           HZ       DPN  13  16.224  -4.799 -16.758
   98    H    TRP  14           H        TRP  14   9.170  -6.954 -14.580
   99    HA   TRP  14           HA       TRP  14   7.632  -6.964 -16.981
  100    HB2  TRP  14           1HB      TRP  14   7.569  -5.550 -14.333
  101    HB3  TRP  14           2HB      TRP  14   6.624  -4.844 -15.633
  102    HD1  TRP  14           HD1      TRP  14   5.138  -7.053 -17.006
  103    HE1  TRP  14           HE1      TRP  14   3.338  -8.405 -15.802
  104    HE3  TRP  14           HE3      TRP  14   6.739  -6.361 -12.215
  105    HZ2  TRP  14           HZ2      TRP  14   2.571  -8.954 -13.036
  106    HZ3  TRP  14           HZ3      TRP  14   5.505  -7.280 -10.337
  107    HH2  TRP  14           HH2      TRP  14   3.361  -8.551 -10.709
  108    H    THR  15           H        THR  15  10.413  -4.980 -16.235
  109    HA   THR  15           HA       THR  15   9.577  -2.641 -17.717
  110    HB   THR  15           HB       THR  15  12.344  -3.631 -16.923
  111    HG1  THR  15           HG1      THR  15  10.560  -1.778 -15.672
  112   HG21  THR  15          3HG2      THR  15  11.429  -0.856 -17.807
  113   HG22  THR  15          1HG2      THR  15  12.550  -1.931 -18.667
  114   HG23  THR  15          2HG2      THR  15  13.021  -1.246 -17.108
  Start of MODEL   13
    1    H1   ASP   1           1H       ASP   1   4.557   0.628  -2.630
    2    H2   ASP   1           2H       ASP   1   4.579   0.111  -1.080
    3    H3   ASP   1           3H       ASP   1   3.991   1.605  -1.432
    4    HA   ASP   1           HA       ASP   1   2.212   0.053  -0.966
    5    HB2  ASP   1           1HB      ASP   1   1.887   1.947  -2.577
    6    HB3  ASP   1           2HB      ASP   1   2.285   0.845  -3.901
    7    H    TRP   2           H        TRP   2   1.512  -2.077  -1.071
    8    HA   TRP   2           HA       TRP   2   3.379  -3.953  -2.304
    9    HB2  TRP   2           1HB      TRP   2   2.410  -4.194   0.010
   10    HB3  TRP   2           2HB      TRP   2   0.861  -4.574  -0.725
   11    HD1  TRP   2           HD1      TRP   2   4.440  -5.901  -0.372
   12    HE1  TRP   2           HE1      TRP   2   4.505  -8.420  -0.753
   13    HE3  TRP   2           HE3      TRP   2  -0.427  -6.622  -1.830
   14    HZ2  TRP   2           HZ2      TRP   2   2.684 -10.505  -1.613
   15    HZ3  TRP   2           HZ3      TRP   2  -1.224  -8.888  -2.430
   16    HH2  TRP   2           HH2      TRP   2   0.317 -10.836  -2.326
   17    H    GLU   3           H        GLU   3   3.076  -3.516  -4.506
   18    HA   GLU   3           HA       GLU   3   0.527  -4.001  -5.817
   19    HB2  GLU   3           1HB      GLU   3   2.830  -2.657  -6.542
   20    HB3  GLU   3           2HB      GLU   3   3.077  -4.191  -7.366
   21    HG2  GLU   3           1HG      GLU   3   1.982  -2.753  -8.908
   22    HG3  GLU   3           2HG      GLU   3   0.759  -3.911  -8.388
   23    H    TYR   4           H        TYR   4   0.046  -5.883  -7.130
   24    HA   TYR   4           HA       TYR   4   0.907  -8.401  -6.104
   25    HB2  TYR   4           1HB      TYR   4  -1.274  -7.993  -7.119
   26    HB3  TYR   4           2HB      TYR   4  -0.521  -7.634  -8.666
   27    HD1  TYR   4           HD2      TYR   4  -0.580 -10.403  -6.095
   28    HD2  TYR   4           HD1      TYR   4  -0.504  -9.339 -10.274
   29    HE1  TYR   4           HE2      TYR   4  -0.725 -12.799  -6.699
   30    HE2  TYR   4           HE1      TYR   4  -0.667 -11.730 -10.895
   31    HH   TYR   4           HH       TYR   4  -0.828 -14.358  -8.429
   32    H    HIS   5           H        HIS   5   2.177 -10.000  -7.088
   33    HA   HIS   5           HA       HIS   5   4.167  -9.119  -9.123
   34    HB2  HIS   5           1HB      HIS   5   5.750 -10.636  -8.102
   35    HB3  HIS   5           2HB      HIS   5   5.221  -9.422  -6.924
   36    HD2  HIS   5           HD2      HIS   5   3.533 -10.308  -4.929
   37    HE1  HIS   5           HE1      HIS   5   4.369 -14.446  -5.454
   38    HE2  HIS   5           HE2      HIS   5   3.301 -12.717  -3.917
   39    H    ALA   6           H        ALA   6   4.522 -10.578 -10.823
   40    HA   ALA   6           HA       ALA   6   2.449 -12.584 -11.288
   41    HB1  ALA   6           3HB      ALA   6   4.864 -11.698 -12.937
   42    HB2  ALA   6           1HB      ALA   6   3.674 -12.906 -13.457
   43    HB3  ALA   6           2HB      ALA   6   3.165 -11.237 -13.185
   44    H    HIS   7           H        HIS   7   2.963 -14.778 -11.756
   45    HA   HIS   7           HA       HIS   7   4.963 -15.945  -9.985
   46    HB2  HIS   7           1HB      HIS   7   2.940 -17.099  -9.983
   47    HB3  HIS   7           2HB      HIS   7   2.776 -17.084 -11.728
   48    HD1  HIS   7           HD1      HIS   7   5.492 -18.622  -9.341
   49    HD2  HIS   7           HD2      HIS   7   3.145 -19.403 -12.753
   50    HE1  HIS   7           HE1      HIS   7   6.106 -20.963 -10.115
   51    HA   PRO   8           HA       PRO   8   7.061 -17.570 -13.844
   52    HB2  PRO   8           1HB      PRO   8   6.419 -16.953 -16.411
   53    HB3  PRO   8           2HB      PRO   8   5.545 -18.192 -15.454
   54    HG2  PRO   8           1HG      PRO   8   4.813 -15.282 -15.845
   55    HG3  PRO   8           2HG      PRO   8   3.764 -16.716 -16.110
   56    HD2  PRO   8           1HD      PRO   8   3.673 -15.309 -13.800
   57    HD3  PRO   8           2HD      PRO   8   3.581 -17.101 -13.786
   58    H    LYS   9           H        LYS   9   6.096 -14.137 -14.412
   59    HA   LYS   9           HA       LYS   9   8.843 -13.478 -15.243
   60    HB2  LYS   9           1HB      LYS   9   6.905 -12.685 -16.524
   61    HB3  LYS   9           2HB      LYS   9   6.329 -11.780 -15.122
   62    HG2  LYS   9           1HG      LYS   9   7.388 -10.143 -16.423
   63    HG3  LYS   9           2HG      LYS   9   8.589 -10.528 -15.212
   64    HD2  LYS   9           1HD      LYS   9   9.813 -10.431 -17.218
   65    HD3  LYS   9           2HD      LYS   9   9.599 -12.168 -16.982
   66    HE2  LYS   9           1HE      LYS   9   7.666 -12.143 -18.550
   67    HE3  LYS   9           2HE      LYS   9   7.835 -10.391 -18.737
   68    HZ1  LYS   9           3HZ      LYS   9   8.872 -11.558 -20.554
   69    HZ2  LYS   9           1HZ      LYS   9   9.852 -12.398 -19.550
   70    HZ3  LYS   9           2HZ      LYS   9  10.024 -10.771 -19.702
   71    HA   HYP  10           HA       HYP  10   9.484 -12.121 -10.989
   72    HB2  HYP  10           1HB      HYP  10  11.944 -10.909 -11.266
   73    HB3  HYP  10           2HB      HYP  10  11.695 -12.684 -11.204
   74    HG   HYP  10           HG       HYP  10  12.174 -10.888 -13.554
   75   HD22  HYP  10          1HD       HYP  10  10.565 -11.791 -14.863
   76   HD23  HYP  10          2HD       HYP  10  10.776 -13.443 -14.217
   77    HD1  HYP  10           HOD      HYP  10  13.316 -12.713 -14.251
   78    H    ASN  11           H        ASN  11  10.083 -10.032  -9.879
   79    HA   ASN  11           HA       ASN  11   8.141  -8.126 -10.320
   80    HB2  ASN  11           1HB      ASN  11   9.295  -8.464  -8.185
   81    HB3  ASN  11           2HB      ASN  11  10.805  -7.852  -8.875
   82   HD21  ASN  11          1HD2      ASN  11   7.373  -6.879  -8.168
   83   HD22  ASN  11          2HD2      ASN  11   7.736  -5.184  -7.951
   84    H    SER  12           H        SER  12  11.553  -7.077 -10.501
   85    HA   SER  12           HA       SER  12  11.046  -4.890 -12.162
   86    HB2  SER  12           1HB      SER  12  13.691  -6.364 -11.975
   87    HB3  SER  12           2HB      SER  12  13.432  -4.628 -12.157
   88    HG   SER  12           HG       SER  12  12.579  -4.670  -9.955
   89    H    DPN  13           H        DPN  13  11.390  -8.221 -12.929
   90    HA   DPN  13           HA       DPN  13  10.822  -9.355 -14.731
   91    HB2  DPN  13           1HB      DPN  13  13.066  -9.621 -15.019
   92    HB3  DPN  13           2HB      DPN  13  12.508  -9.153 -16.600
   93    HD1  DPN  13           HD1      DPN  13  14.319  -8.054 -13.535
   94    HD2  DPN  13           HD2      DPN  13  13.360  -7.079 -17.634
   95    HE1  DPN  13           HE1      DPN  13  16.096  -6.316 -13.546
   96    HE2  DPN  13           HE2      DPN  13  15.121  -5.329 -17.626
   97    HZ   DPN  13           HZ       DPN  13  16.492  -4.946 -15.585
   98    H    TRP  14           H        TRP  14   9.146  -7.070 -14.475
   99    HA   TRP  14           HA       TRP  14   7.877  -7.128 -17.029
  100    HB2  TRP  14           1HB      TRP  14   7.545  -5.620 -14.445
  101    HB3  TRP  14           2HB      TRP  14   6.709  -5.006 -15.862
  102    HD1  TRP  14           HD1      TRP  14   5.415  -7.350 -17.237
  103    HE1  TRP  14           HE1      TRP  14   3.518  -8.647 -16.127
  104    HE3  TRP  14           HE3      TRP  14   6.508  -6.288 -12.372
  105    HZ2  TRP  14           HZ2      TRP  14   2.478  -9.010 -13.421
  106    HZ3  TRP  14           HZ3      TRP  14   5.099  -7.095 -10.566
  107    HH2  TRP  14           HH2      TRP  14   3.018  -8.430 -11.061
  108    H    THR  15           H        THR  15  10.569  -5.154 -16.047
  109    HA   THR  15           HA       THR  15   9.824  -2.764 -17.458
  110    HB   THR  15           HB       THR  15  12.640  -3.631 -16.704
  111    HG1  THR  15           HG1      THR  15  11.538  -3.814 -14.860
  112   HG21  THR  15          3HG2      THR  15  12.504  -1.576 -18.074
  113   HG22  THR  15          1HG2      THR  15  12.979  -1.183 -16.416
  114   HG23  THR  15          2HG2      THR  15  11.309  -0.888 -16.953
  Start of MODEL   14
    1    H1   ASP   1           1H       ASP   1   5.999  -2.503  -1.035
    2    H2   ASP   1           2H       ASP   1   5.247  -2.211   0.381
    3    H3   ASP   1           3H       ASP   1   5.844  -0.956  -0.498
    4    HA   ASP   1           HA       ASP   1   3.470  -1.053  -0.710
    5    HB2  ASP   1           1HB      ASP   1   3.298  -0.997  -3.116
    6    HB3  ASP   1           2HB      ASP   1   4.848  -0.294  -2.659
    7    H    TRP   2           H        TRP   2   1.826  -2.386  -2.344
    8    HA   TRP   2           HA       TRP   2   1.889  -5.194  -1.395
    9    HB2  TRP   2           1HB      TRP   2  -0.472  -5.009  -0.846
   10    HB3  TRP   2           2HB      TRP   2   0.391  -3.737  -0.010
   11    HD1  TRP   2           HD1      TRP   2   0.107  -1.202  -1.066
   12    HE1  TRP   2           HE1      TRP   2  -1.835  -0.098  -2.294
   13    HE3  TRP   2           HE3      TRP   2  -2.512  -5.412  -2.382
   14    HZ2  TRP   2           HZ2      TRP   2  -4.221  -0.931  -3.721
   15    HZ3  TRP   2           HZ3      TRP   2  -4.612  -5.222  -3.676
   16    HH2  TRP   2           HH2      TRP   2  -5.474  -2.991  -4.358
   17    H    GLU   3           H        GLU   3   2.606  -4.044  -4.074
   18    HA   GLU   3           HA       GLU   3   0.462  -4.806  -5.879
   19    HB2  GLU   3           1HB      GLU   3   3.413  -4.160  -6.267
   20    HB3  GLU   3           2HB      GLU   3   2.351  -4.678  -7.551
   21    HG2  GLU   3           1HG      GLU   3   0.843  -2.773  -7.178
   22    HG3  GLU   3           2HG      GLU   3   1.833  -2.230  -5.821
   23    H    TYR   4           H        TYR   4   0.295  -6.690  -7.053
   24    HA   TYR   4           HA       TYR   4   1.177  -9.133  -5.880
   25    HB2  TYR   4           1HB      TYR   4  -0.911  -8.841  -7.113
   26    HB3  TYR   4           2HB      TYR   4  -0.025  -8.462  -8.582
   27    HD1  TYR   4           HD2      TYR   4  -0.315 -11.206  -6.006
   28    HD2  TYR   4           HD1      TYR   4   0.271 -10.177 -10.156
   29    HE1  TYR   4           HE2      TYR   4  -0.386 -13.610  -6.608
   30    HE2  TYR   4           HE1      TYR   4   0.183 -12.571 -10.772
   31    HH   TYR   4           HH       TYR   4  -0.075 -14.757 -10.008
   32    H    HIS   5           H        HIS   5   2.619 -10.671  -6.691
   33    HA   HIS   5           HA       HIS   5   4.715  -9.756  -8.604
   34    HB2  HIS   5           1HB      HIS   5   6.227 -11.302  -7.527
   35    HB3  HIS   5           2HB      HIS   5   5.619 -10.127  -6.348
   36    HD2  HIS   5           HD2      HIS   5   5.894 -13.848  -7.003
   37    HE1  HIS   5           HE1      HIS   5   3.334 -13.520  -3.620
   38    HE2  HIS   5           HE2      HIS   5   4.682 -15.130  -5.062
   39    H    ALA   6           H        ALA   6   5.028 -11.072 -10.391
   40    HA   ALA   6           HA       ALA   6   3.015 -13.125 -10.928
   41    HB1  ALA   6           3HB      ALA   6   4.206 -13.254 -13.150
   42    HB2  ALA   6           1HB      ALA   6   3.586 -11.647 -12.757
   43    HB3  ALA   6           2HB      ALA   6   5.318 -11.994 -12.578
   44    H    HIS   7           H        HIS   7   3.615 -15.247 -11.588
   45    HA   HIS   7           HA       HIS   7   5.773 -16.447 -10.008
   46    HB2  HIS   7           1HB      HIS   7   3.800 -17.672  -9.902
   47    HB3  HIS   7           2HB      HIS   7   3.473 -17.555 -11.619
   48    HD1  HIS   7           HD1      HIS   7   3.811 -19.885 -12.722
   49    HD2  HIS   7           HD2      HIS   7   6.485 -19.039  -9.581
   50    HE1  HIS   7           HE1      HIS   7   5.356 -21.894 -12.538
   51    HA   PRO   8           HA       PRO   8   7.595 -17.691 -14.143
   52    HB2  PRO   8           1HB      PRO   8   6.666 -16.982 -16.593
   53    HB3  PRO   8           2HB      PRO   8   5.963 -18.323 -15.634
   54    HG2  PRO   8           1HG      PRO   8   5.028 -15.450 -15.779
   55    HG3  PRO   8           2HG      PRO   8   4.045 -16.930 -16.033
   56    HD2  PRO   8           1HD      PRO   8   4.097 -15.662 -13.642
   57    HD3  PRO   8           2HD      PRO   8   4.106 -17.455 -13.732
   58    H    LYS   9           H        LYS   9   6.362 -14.309 -14.384
   59    HA   LYS   9           HA       LYS   9   8.925 -13.404 -15.504
   60    HB2  LYS   9           1HB      LYS   9   6.798 -12.657 -16.455
   61    HB3  LYS   9           2HB      LYS   9   6.333 -11.932 -14.911
   62    HG2  LYS   9           1HG      LYS   9   7.071 -10.096 -16.148
   63    HG3  LYS   9           2HG      LYS   9   8.457 -10.477 -15.156
   64    HD2  LYS   9           1HD      LYS   9   9.409 -10.100 -17.243
   65    HD3  LYS   9           2HD      LYS   9   9.306 -11.863 -17.225
   66    HE2  LYS   9           1HE      LYS   9   7.238 -11.781 -18.566
   67    HE3  LYS   9           2HE      LYS   9   7.209 -10.015 -18.457
   68    HZ1  LYS   9           3HZ      LYS   9   9.264  -9.954 -19.723
   69    HZ2  LYS   9           1HZ      LYS   9   8.103 -10.740 -20.560
   70    HZ3  LYS   9           2HZ      LYS   9   9.297 -11.591 -19.838
   71    HA   HYP  10           HA       HYP  10  10.087 -12.223 -11.298
   72    HB2  HYP  10           1HB      HYP  10  12.417 -10.873 -11.820
   73    HB3  HYP  10           2HB      HYP  10  12.271 -12.659 -11.894
   74    HG   HYP  10           HG       HYP  10  12.236 -10.627 -14.104
   75   HD22  HYP  10          1HD       HYP  10  10.560 -11.598 -15.258
   76   HD23  HYP  10          2HD       HYP  10  10.995 -13.262 -14.777
   77    HD1  HYP  10           HOD      HYP  10  13.173 -13.312 -13.941
   78    H    ASN  11           H        ASN  11  10.708 -10.152 -10.171
   79    HA   ASN  11           HA       ASN  11   8.596  -8.369 -10.295
   80    HB2  ASN  11           1HB      ASN  11  11.356  -8.138  -9.041
   81    HB3  ASN  11           2HB      ASN  11  10.128  -6.894  -8.837
   82   HD21  ASN  11          1HD2      ASN  11  10.751  -7.653  -6.487
   83   HD22  ASN  11          2HD2      ASN  11   9.682  -8.858  -5.806
   84    H    SER  12           H        SER  12  11.925  -7.198 -10.789
   85    HA   SER  12           HA       SER  12  11.139  -4.867 -12.150
   86    HB2  SER  12           1HB      SER  12  13.352  -5.575 -10.906
   87    HB3  SER  12           2HB      SER  12  13.871  -6.132 -12.498
   88    HG   SER  12           HG       SER  12  14.497  -3.953 -12.024
   89    H    DPN  13           H        DPN  13  11.561  -8.099 -13.216
   90    HA   DPN  13           HA       DPN  13  10.777  -9.160 -14.992
   91    HB2  DPN  13           1HB      DPN  13  12.996  -9.279 -15.575
   92    HB3  DPN  13           2HB      DPN  13  12.182  -8.817 -17.042
   93    HD1  DPN  13           HD1      DPN  13  14.321  -7.630 -14.230
   94    HD2  DPN  13           HD2      DPN  13  12.767  -6.709 -18.153
   95    HE1  DPN  13           HE1      DPN  13  15.966  -5.777 -14.457
   96    HE2  DPN  13           HE2      DPN  13  14.399  -4.854 -18.363
   97    HZ   DPN  13           HZ       DPN  13  16.003  -4.385 -16.520
   98    H    TRP  14           H        TRP  14   9.057  -6.985 -14.401
   99    HA   TRP  14           HA       TRP  14   7.487  -6.935 -16.779
  100    HB2  TRP  14           1HB      TRP  14   7.390  -5.702 -14.047
  101    HB3  TRP  14           2HB      TRP  14   6.389  -4.955 -15.280
  102    HD1  TRP  14           HD1      TRP  14   5.004  -7.139 -16.794
  103    HE1  TRP  14           HE1      TRP  14   3.297  -8.671 -15.673
  104    HE3  TRP  14           HE3      TRP  14   6.630  -6.698 -11.983
  105    HZ2  TRP  14           HZ2      TRP  14   2.603  -9.459 -12.948
  106    HZ3  TRP  14           HZ3      TRP  14   5.471  -7.813 -10.162
  107    HH2  TRP  14           HH2      TRP  14   3.397  -9.175 -10.607
  108    H    THR  15           H        THR  15  10.252  -5.007 -16.172
  109    HA   THR  15           HA       THR  15   9.240  -2.644 -17.599
  110    HB   THR  15           HB       THR  15  12.082  -3.162 -16.650
  111    HG1  THR  15           HG1      THR  15  10.926  -3.414 -14.853
  112   HG21  THR  15          3HG2      THR  15  11.741  -1.191 -18.125
  113   HG22  THR  15          1HG2      THR  15  12.122  -0.690 -16.471
  114   HG23  THR  15          2HG2      THR  15  10.446  -0.607 -17.060
  Start of MODEL   15
    1    H1   ASP   1           1H       ASP   1   4.583   0.423  -0.944
    2    H2   ASP   1           2H       ASP   1   3.665   1.791  -0.908
    3    H3   ASP   1           3H       ASP   1   3.993   1.047  -2.340
    4    HA   ASP   1           HA       ASP   1   2.347  -0.030  -0.171
    5    HB2  ASP   1           1HB      ASP   1   0.471   0.150  -1.664
    6    HB3  ASP   1           2HB      ASP   1   1.250   1.729  -1.589
    7    H    TRP   2           H        TRP   2   1.129  -2.056  -0.952
    8    HA   TRP   2           HA       TRP   2   3.113  -3.950  -1.959
    9    HB2  TRP   2           1HB      TRP   2   1.858  -4.603   0.004
   10    HB3  TRP   2           2HB      TRP   2   0.326  -4.298  -0.813
   11    HD1  TRP   2           HD1      TRP   2  -0.802  -6.468  -1.368
   12    HE1  TRP   2           HE1      TRP   2  -0.155  -8.804  -2.162
   13    HE3  TRP   2           HE3      TRP   2   4.258  -5.801  -1.751
   14    HZ2  TRP   2           HZ2      TRP   2   2.285 -10.242  -2.825
   15    HZ3  TRP   2           HZ3      TRP   2   5.721  -7.673  -2.446
   16    HH2  TRP   2           HH2      TRP   2   4.749  -9.897  -2.976
   17    H    GLU   3           H        GLU   3   3.329  -3.923  -4.021
   18    HA   GLU   3           HA       GLU   3   1.007  -3.896  -5.863
   19    HB2  GLU   3           1HB      GLU   3   2.981  -2.354  -6.273
   20    HB3  GLU   3           2HB      GLU   3   3.970  -3.790  -6.564
   21    HG2  GLU   3           1HG      GLU   3   2.488  -4.418  -8.456
   22    HG3  GLU   3           2HG      GLU   3   1.440  -3.044  -8.103
   23    H    TYR   4           H        TYR   4   0.517  -5.726  -7.061
   24    HA   TYR   4           HA       TYR   4   1.297  -8.311  -6.159
   25    HB2  TYR   4           1HB      TYR   4  -0.854  -7.770  -7.203
   26    HB3  TYR   4           2HB      TYR   4  -0.046  -7.343  -8.701
   27    HD1  TYR   4           HD2      TYR   4  -0.136 -10.296  -6.326
   28    HD2  TYR   4           HD1      TYR   4  -0.194  -8.921 -10.418
   29    HE1  TYR   4           HE2      TYR   4  -0.383 -12.632  -7.102
   30    HE2  TYR   4           HE1      TYR   4  -0.461 -11.255 -11.203
   31    HH   TYR   4           HH       TYR   4  -0.601 -14.050  -8.941
   32    H    HIS   5           H        HIS   5   2.443  -9.960  -7.383
   33    HA   HIS   5           HA       HIS   5   4.547  -8.981  -9.246
   34    HB2  HIS   5           1HB      HIS   5   6.036 -10.645  -8.251
   35    HB3  HIS   5           2HB      HIS   5   5.539  -9.421  -7.068
   36    HD2  HIS   5           HD2      HIS   5   5.272 -13.193  -7.775
   37    HE1  HIS   5           HE1      HIS   5   3.347 -12.531  -4.041
   38    HE2  HIS   5           HE2      HIS   5   4.175 -14.306  -5.673
   39    H    ALA   6           H        ALA   6   5.107 -10.443 -10.919
   40    HA   ALA   6           HA       ALA   6   2.995 -12.134 -11.875
   41    HB1  ALA   6           3HB      ALA   6   4.475 -10.921 -13.433
   42    HB2  ALA   6           1HB      ALA   6   5.887 -11.797 -12.810
   43    HB3  ALA   6           2HB      ALA   6   4.617 -12.663 -13.696
   44    H    HIS   7           H        HIS   7   3.088 -14.372 -12.198
   45    HA   HIS   7           HA       HIS   7   4.530 -15.928 -10.177
   46    HB2  HIS   7           1HB      HIS   7   2.353 -16.681 -10.447
   47    HB3  HIS   7           2HB      HIS   7   2.386 -16.574 -12.196
   48    HD1  HIS   7           HD1      HIS   7   4.514 -18.708  -9.670
   49    HD2  HIS   7           HD2      HIS   7   2.374 -18.886 -13.296
   50    HE1  HIS   7           HE1      HIS   7   4.738 -21.092 -10.520
   51    HA   PRO   8           HA       PRO   8   6.723 -17.934 -13.793
   52    HB2  PRO   8           1HB      PRO   8   6.562 -17.181 -16.399
   53    HB3  PRO   8           2HB      PRO   8   5.325 -18.202 -15.599
   54    HG2  PRO   8           1HG      PRO   8   5.305 -15.200 -15.977
   55    HG3  PRO   8           2HG      PRO   8   4.009 -16.362 -16.423
   56    HD2  PRO   8           1HD      PRO   8   3.929 -14.986 -14.098
   57    HD3  PRO   8           2HD      PRO   8   3.446 -16.714 -14.152
   58    H    LYS   9           H        LYS   9   6.617 -14.340 -14.264
   59    HA   LYS   9           HA       LYS   9   9.541 -14.267 -14.620
   60    HB2  LYS   9           1HB      LYS   9   7.167 -12.637 -15.426
   61    HB3  LYS   9           2HB      LYS   9   8.459 -11.718 -14.788
   62    HG2  LYS   9           1HG      LYS   9   9.900 -13.237 -16.552
   63    HG3  LYS   9           2HG      LYS   9   8.307 -13.314 -17.326
   64    HD2  LYS   9           1HD      LYS   9   8.275 -10.717 -17.098
   65    HD3  LYS   9           2HD      LYS   9   9.961 -10.868 -16.599
   66    HE2  LYS   9           1HE      LYS   9  10.144 -10.373 -18.861
   67    HE3  LYS   9           2HE      LYS   9  10.368 -12.126 -18.812
   68    HZ1  LYS   9           3HZ      LYS   9   8.023 -12.340 -19.475
   69    HZ2  LYS   9           1HZ      LYS   9   8.863 -11.465 -20.571
   70    HZ3  LYS   9           2HZ      LYS   9   7.864 -10.708 -19.527
   71    HA   HYP  10           HA       HYP  10   9.799 -12.346 -10.537
   72    HB2  HYP  10           1HB      HYP  10  11.908 -10.618 -10.845
   73    HB3  HYP  10           2HB      HYP  10  12.101 -12.402 -10.771
   74    HG   HYP  10           HG       HYP  10  12.099 -10.543 -13.117
   75   HD22  HYP  10          1HD       HYP  10  10.733 -11.776 -14.406
   76   HD23  HYP  10          2HD       HYP  10  11.402 -13.333 -13.853
   77    HD1  HYP  10           HOD      HYP  10  13.365 -13.045 -12.613
   78    H    ASN  11           H        ASN  11   9.938 -10.076  -9.587
   79    HA   ASN  11           HA       ASN  11   7.632  -8.642 -10.170
   80    HB2  ASN  11           1HB      ASN  11   8.741  -8.674  -7.985
   81    HB3  ASN  11           2HB      ASN  11  10.141  -7.825  -8.653
   82   HD21  ASN  11          1HD2      ASN  11   6.550  -7.441  -8.149
   83   HD22  ASN  11          2HD2      ASN  11   6.614  -5.706  -7.974
   84    H    SER  12           H        SER  12  10.818  -7.020 -10.303
   85    HA   SER  12           HA       SER  12  10.040  -4.929 -11.990
   86    HB2  SER  12           1HB      SER  12  12.675  -4.860 -12.205
   87    HB3  SER  12           2HB      SER  12  11.897  -4.523 -10.652
   88    HG   SER  12           HG       SER  12  13.714  -6.057 -10.607
   89    H    DPN  13           H        DPN  13  10.913  -8.178 -12.657
   90    HA   DPN  13           HA       DPN  13  10.634  -9.438 -14.431
   91    HB2  DPN  13           1HB      DPN  13  12.933  -9.285 -14.585
   92    HB3  DPN  13           2HB      DPN  13  12.361  -9.065 -16.212
   93    HD1  DPN  13           HD1      DPN  13  12.890  -7.018 -17.427
   94    HD2  DPN  13           HD2      DPN  13  13.762  -7.337 -13.210
   95    HE1  DPN  13           HE1      DPN  13  14.281  -4.968 -17.561
   96    HE2  DPN  13           HE2      DPN  13  15.177  -5.296 -13.359
   97    HZ   DPN  13           HZ       DPN  13  15.426  -4.102 -15.527
   98    H    TRP  14           H        TRP  14   8.680  -7.252 -14.392
   99    HA   TRP  14           HA       TRP  14   7.476  -7.620 -16.951
  100    HB2  TRP  14           1HB      TRP  14   7.056  -5.830 -14.566
  101    HB3  TRP  14           2HB      TRP  14   6.242  -5.402 -16.061
  102    HD1  TRP  14           HD1      TRP  14   5.013  -7.919 -17.175
  103    HE1  TRP  14           HE1      TRP  14   3.133  -9.137 -15.951
  104    HE3  TRP  14           HE3      TRP  14   5.972  -6.249 -12.460
  105    HZ2  TRP  14           HZ2      TRP  14   2.089  -9.272 -13.219
  106    HZ3  TRP  14           HZ3      TRP  14   4.595  -6.936 -10.582
  107    HH2  TRP  14           HH2      TRP  14   2.587  -8.415 -10.931
  108    H    THR  15           H        THR  15  10.007  -5.372 -16.033
  109    HA   THR  15           HA       THR  15   9.186  -3.239 -17.776
  110    HB   THR  15           HB       THR  15  11.980  -3.655 -16.656
  111    HG1  THR  15           HG1      THR  15  10.685  -3.869 -14.915
  112   HG21  THR  15          3HG2      THR  15  10.318  -1.164 -17.280
  113   HG22  THR  15          1HG2      THR  15  11.729  -1.742 -18.193
  114   HG23  THR  15          2HG2      THR  15  11.933  -1.162 -16.533
  Start of MODEL   16
    1    H1   ASP   1           1H       ASP   1   3.900  -1.207   0.457
    2    H2   ASP   1           2H       ASP   1   5.077  -0.375  -0.362
    3    H3   ASP   1           3H       ASP   1   5.314  -1.945   0.106
    4    HA   ASP   1           HA       ASP   1   3.406  -1.021  -1.925
    5    HB2  ASP   1           1HB      ASP   1   5.928  -2.706  -2.193
    6    HB3  ASP   1           2HB      ASP   1   4.740  -2.451  -3.475
    7    H    TRP   2           H        TRP   2   1.884  -2.534  -2.643
    8    HA   TRP   2           HA       TRP   2   1.929  -5.231  -1.445
    9    HB2  TRP   2           1HB      TRP   2  -0.361  -5.057  -0.723
   10    HB3  TRP   2           2HB      TRP   2   0.549  -3.756   0.012
   11    HD1  TRP   2           HD1      TRP   2   0.132  -1.248  -1.074
   12    HE1  TRP   2           HE1      TRP   2  -1.944  -0.203  -2.123
   13    HE3  TRP   2           HE3      TRP   2  -2.517  -5.528  -2.054
   14    HZ2  TRP   2           HZ2      TRP   2  -4.449  -1.106  -3.281
   15    HZ3  TRP   2           HZ3      TRP   2  -4.741  -5.401  -3.132
   16    HH2  TRP   2           HH2      TRP   2  -5.717  -3.199  -3.754
   17    H    GLU   3           H        GLU   3   2.456  -4.127  -4.132
   18    HA   GLU   3           HA       GLU   3   0.258  -4.871  -5.872
   19    HB2  GLU   3           1HB      GLU   3   3.159  -4.068  -6.269
   20    HB3  GLU   3           2HB      GLU   3   2.176  -4.714  -7.585
   21    HG2  GLU   3           1HG      GLU   3   0.484  -2.922  -7.223
   22    HG3  GLU   3           2HG      GLU   3   1.468  -2.266  -5.916
   23    H    TYR   4           H        TYR   4   0.118  -6.717  -7.138
   24    HA   TYR   4           HA       TYR   4   1.016  -9.187  -6.043
   25    HB2  TYR   4           1HB      TYR   4  -1.065  -8.876  -7.283
   26    HB3  TYR   4           2HB      TYR   4  -0.171  -8.436  -8.732
   27    HD1  TYR   4           HD1      TYR   4  -0.489 -11.264  -6.254
   28    HD2  TYR   4           HD2      TYR   4   0.217 -10.100 -10.350
   29    HE1  TYR   4           HE1      TYR   4  -0.495 -13.647  -6.925
   30    HE2  TYR   4           HE2      TYR   4   0.196 -12.480 -11.036
   31    HH   TYR   4           HH       TYR   4  -0.307 -15.160  -8.686
   32    H    HIS   5           H        HIS   5   2.463 -10.706  -6.922
   33    HA   HIS   5           HA       HIS   5   4.554  -9.708  -8.793
   34    HB2  HIS   5           1HB      HIS   5   6.127 -11.172  -7.710
   35    HB3  HIS   5           2HB      HIS   5   5.478 -10.017  -6.534
   36    HD2  HIS   5           HD2      HIS   5   3.633 -11.066  -4.720
   37    HE1  HIS   5           HE1      HIS   5   4.803 -15.122  -5.251
   38    HE2  HIS   5           HE2      HIS   5   3.474 -13.513  -3.789
   39    H    ALA   6           H        ALA   6   4.933 -11.046 -10.553
   40    HA   ALA   6           HA       ALA   6   2.984 -13.170 -11.073
   41    HB1  ALA   6           3HB      ALA   6   4.147 -13.271 -13.296
   42    HB2  ALA   6           1HB      ALA   6   3.519 -11.664 -12.910
   43    HB3  ALA   6           2HB      ALA   6   5.256 -12.000 -12.744
   44    H    HIS   7           H        HIS   7   3.628 -15.297 -11.613
   45    HA   HIS   7           HA       HIS   7   5.834 -16.355 -10.022
   46    HB2  HIS   7           1HB      HIS   7   3.898 -17.654  -9.917
   47    HB3  HIS   7           2HB      HIS   7   3.622 -17.617 -11.648
   48    HD1  HIS   7           HD1      HIS   7   6.541 -19.016  -9.424
   49    HD2  HIS   7           HD2      HIS   7   4.165 -19.845 -12.805
   50    HE1  HIS   7           HE1      HIS   7   7.309 -21.272 -10.307
   51    HA   PRO   8           HA       PRO   8   7.755 -17.675 -14.088
   52    HB2  PRO   8           1HB      PRO   8   6.865 -17.042 -16.572
   53    HB3  PRO   8           2HB      PRO   8   6.156 -18.365 -15.593
   54    HG2  PRO   8           1HG      PRO   8   5.198 -15.505 -15.825
   55    HG3  PRO   8           2HG      PRO   8   4.233 -17.000 -16.068
   56    HD2  PRO   8           1HD      PRO   8   4.220 -15.681 -13.706
   57    HD3  PRO   8           2HD      PRO   8   4.253 -17.475 -13.755
   58    H    LYS   9           H        LYS   9   6.505 -14.311 -14.342
   59    HA   LYS   9           HA       LYS   9   9.082 -13.410 -15.458
   60    HB2  LYS   9           1HB      LYS   9   6.942 -12.778 -16.505
   61    HB3  LYS   9           2HB      LYS   9   6.459 -11.931 -15.036
   62    HG2  LYS   9           1HG      LYS   9   7.215 -10.228 -16.480
   63    HG3  LYS   9           2HG      LYS   9   8.517 -10.462 -15.336
   64    HD2  LYS   9           1HD      LYS   9   9.718 -10.329 -17.270
   65    HD3  LYS   9           2HD      LYS   9   9.515 -12.070 -17.238
   66    HE2  LYS   9           1HE      LYS   9   7.732 -10.111 -18.776
   67    HE3  LYS   9           2HE      LYS   9   9.141 -10.918 -19.464
   68    HZ1  LYS   9           3HZ      LYS   9   7.161 -12.077 -20.048
   69    HZ2  LYS   9           1HZ      LYS   9   6.712 -12.284 -18.495
   70    HZ3  LYS   9           2HZ      LYS   9   8.050 -13.044 -19.078
   71    HA   HYP  10           HA       HYP  10  10.042 -12.103 -11.262
   72    HB2  HYP  10           1HB      HYP  10  12.355 -10.689 -11.718
   73    HB3  HYP  10           2HB      HYP  10  12.257 -12.479 -11.756
   74    HG   HYP  10           HG       HYP  10  12.270 -10.498 -14.012
   75   HD22  HYP  10          1HD       HYP  10  10.659 -11.521 -15.208
   76   HD23  HYP  10          2HD       HYP  10  11.104 -13.168 -14.680
   77    HD1  HYP  10           HOD      HYP  10  13.242 -13.164 -13.753
   78    H    ASN  11           H        ASN  11  10.590 -10.018 -10.132
   79    HA   ASN  11           HA       ASN  11   8.449  -8.273 -10.290
   80    HB2  ASN  11           1HB      ASN  11  11.205  -7.970  -9.039
   81    HB3  ASN  11           2HB      ASN  11   9.932  -6.776  -8.811
   82   HD21  ASN  11          1HD2      ASN  11  10.893  -7.815  -6.528
   83   HD22  ASN  11          2HD2      ASN  11   9.766  -8.954  -5.827
   84    H    SER  12           H        SER  12  11.785  -7.071 -10.776
   85    HA   SER  12           HA       SER  12  11.047  -4.747 -12.171
   86    HB2  SER  12           1HB      SER  12  13.624  -4.986 -12.768
   87    HB3  SER  12           2HB      SER  12  13.093  -4.631 -11.120
   88    HG   SER  12           HG       SER  12  14.654  -6.320 -11.169
   89    H    DPN  13           H        DPN  13  11.413  -8.021 -13.161
   90    HA   DPN  13           HA       DPN  13  10.756  -9.103 -14.965
   91    HB2  DPN  13           1HB      DPN  13  13.024  -9.099 -15.454
   92    HB3  DPN  13           2HB      DPN  13  12.206  -8.752 -16.954
   93    HD1  DPN  13           HD1      DPN  13  12.657  -6.655 -18.138
   94    HD2  DPN  13           HD2      DPN  13  14.232  -7.312 -14.171
   95    HE1  DPN  13           HE1      DPN  13  14.146  -4.689 -18.404
   96    HE2  DPN  13           HE2      DPN  13  15.743  -5.358 -14.457
   97    HZ   DPN  13           HZ       DPN  13  15.694  -4.037 -16.567
   98    H    TRP  14           H        TRP  14   9.023  -6.828 -14.436
   99    HA   TRP  14           HA       TRP  14   7.514  -6.845 -16.882
  100    HB2  TRP  14           1HB      TRP  14   7.312  -5.546 -14.179
  101    HB3  TRP  14           2HB      TRP  14   6.342  -4.867 -15.475
  102    HD1  TRP  14           HD1      TRP  14   5.049  -7.128 -16.951
  103    HE1  TRP  14           HE1      TRP  14   3.361  -8.686 -15.838
  104    HE3  TRP  14           HE3      TRP  14   6.496  -6.483 -12.105
  105    HZ2  TRP  14           HZ2      TRP  14   2.631  -9.453 -13.116
  106    HZ3  TRP  14           HZ3      TRP  14   5.335  -7.607 -10.291
  107    HH2  TRP  14           HH2      TRP  14   3.346  -9.081 -10.759
  108    H    THR  15           H        THR  15  10.224  -4.879 -16.072
  109    HA   THR  15           HA       THR  15   9.314  -2.449 -17.349
  110    HB   THR  15           HB       THR  15  12.193  -3.243 -16.782
  111    HG1  THR  15           HG1      THR  15  11.191  -3.533 -14.885
  112   HG21  THR  15          3HG2      THR  15  11.938  -1.147 -18.045
  113   HG22  THR  15          1HG2      THR  15  12.424  -0.778 -16.387
  114   HG23  THR  15          2HG2      THR  15  10.735  -0.544 -16.886
  Start of MODEL   17
    1    H1   ASP   1           1H       ASP   1   4.695   0.186  -5.101
    2    H2   ASP   1           2H       ASP   1   3.828   1.182  -6.078
    3    H3   ASP   1           3H       ASP   1   4.206  -0.349  -6.563
    4    HA   ASP   1           HA       ASP   1   2.465   0.316  -4.297
    5    HB2  ASP   1           1HB      ASP   1   1.740  -0.757  -7.052
    6    HB3  ASP   1           2HB      ASP   1   0.639  -0.707  -5.670
    7    H    TRP   2           H        TRP   2   1.371  -1.593  -3.384
    8    HA   TRP   2           HA       TRP   2   3.314  -3.703  -2.981
    9    HB2  TRP   2           1HB      TRP   2   1.912  -4.314  -1.109
   10    HB3  TRP   2           2HB      TRP   2   2.151  -2.582  -1.114
   11    HD1  TRP   2           HD1      TRP   2  -0.031  -1.078  -1.944
   12    HE1  TRP   2           HE1      TRP   2  -2.529  -1.484  -1.678
   13    HE3  TRP   2           HE3      TRP   2   0.079  -6.093  -0.871
   14    HZ2  TRP   2           HZ2      TRP   2  -4.291  -3.715  -1.094
   15    HZ3  TRP   2           HZ3      TRP   2  -2.026  -7.325  -0.451
   16    HH2  TRP   2           HH2      TRP   2  -4.217  -6.152  -0.567
   17    H    GLU   3           H        GLU   3   2.145  -3.745  -5.606
   18    HA   GLU   3           HA       GLU   3  -0.039  -5.624  -5.757
   19    HB2  GLU   3           1HB      GLU   3   0.568  -3.811  -7.445
   20    HB3  GLU   3           2HB      GLU   3   1.878  -4.868  -8.001
   21    HG2  GLU   3           1HG      GLU   3   0.189  -6.645  -8.497
   22    HG3  GLU   3           2HG      GLU   3  -1.099  -5.573  -7.936
   23    H    TYR   4           H        TYR   4   0.014  -7.841  -6.104
   24    HA   TYR   4           HA       TYR   4   2.255  -9.295  -5.173
   25    HB2  TYR   4           1HB      TYR   4  -0.059 -10.023  -4.953
   26    HB3  TYR   4           2HB      TYR   4  -0.200 -10.173  -6.704
   27    HD1  TYR   4           HD2      TYR   4   2.039 -11.426  -3.925
   28    HD2  TYR   4           HD1      TYR   4  -0.075 -12.339  -7.575
   29    HE1  TYR   4           HE2      TYR   4   2.793 -13.780  -3.771
   30    HE2  TYR   4           HE1      TYR   4   0.675 -14.689  -7.432
   31    HH   TYR   4           HH       TYR   4   1.913 -16.255  -6.234
   32    H    HIS   5           H        HIS   5   3.725 -10.562  -6.192
   33    HA   HIS   5           HA       HIS   5   4.669  -9.675  -8.775
   34    HB2  HIS   5           1HB      HIS   5   6.483 -11.242  -8.462
   35    HB3  HIS   5           2HB      HIS   5   6.238 -10.244  -7.023
   36    HD2  HIS   5           HD2      HIS   5   5.853 -13.911  -8.231
   37    HE1  HIS   5           HE1      HIS   5   5.411 -13.936  -4.002
   38    HE2  HIS   5           HE2      HIS   5   5.597 -15.393  -6.086
   39    H    ALA   6           H        ALA   6   4.803 -10.819 -10.718
   40    HA   ALA   6           HA       ALA   6   2.585 -12.618 -11.248
   41    HB1  ALA   6           3HB      ALA   6   4.890 -11.665 -13.009
   42    HB2  ALA   6           1HB      ALA   6   3.466 -12.563 -13.571
   43    HB3  ALA   6           2HB      ALA   6   3.275 -10.928 -12.914
   44    H    HIS   7           H        HIS   7   2.852 -14.740 -12.095
   45    HA   HIS   7           HA       HIS   7   4.965 -16.309 -10.844
   46    HB2  HIS   7           1HB      HIS   7   2.890 -17.367 -10.816
   47    HB3  HIS   7           2HB      HIS   7   2.532 -16.999 -12.493
   48    HD1  HIS   7           HD1      HIS   7   5.405 -19.086 -10.806
   49    HD2  HIS   7           HD2      HIS   7   2.638 -19.080 -13.985
   50    HE1  HIS   7           HE1      HIS   7   5.783 -21.244 -12.093
   51    HA   PRO   8           HA       PRO   8   6.527 -17.200 -15.178
   52    HB2  PRO   8           1HB      PRO   8   5.638 -16.048 -17.470
   53    HB3  PRO   8           2HB      PRO   8   4.792 -17.416 -16.677
   54    HG2  PRO   8           1HG      PRO   8   4.230 -14.457 -16.380
   55    HG3  PRO   8           2HG      PRO   8   3.059 -15.751 -16.809
   56    HD2  PRO   8           1HD      PRO   8   3.309 -14.870 -14.267
   57    HD3  PRO   8           2HD      PRO   8   3.105 -16.620 -14.609
   58    H    LYS   9           H        LYS   9   5.776 -13.718 -14.724
   59    HA   LYS   9           HA       LYS   9   8.380 -12.986 -15.907
   60    HB2  LYS   9           1HB      LYS   9   6.269 -11.889 -16.615
   61    HB3  LYS   9           2HB      LYS   9   6.091 -11.210 -14.997
   62    HG2  LYS   9           1HG      LYS   9   7.030  -9.449 -16.233
   63    HG3  LYS   9           2HG      LYS   9   8.406 -10.121 -15.377
   64    HD2  LYS   9           1HD      LYS   9   9.162  -9.743 -17.605
   65    HD3  LYS   9           2HD      LYS   9   8.888 -11.489 -17.529
   66    HE2  LYS   9           1HE      LYS   9   6.563 -11.069 -18.518
   67    HE3  LYS   9           2HE      LYS   9   7.014  -9.375 -18.700
   68    HZ1  LYS   9           3HZ      LYS   9   7.368 -10.589 -20.724
   69    HZ2  LYS   9           1HZ      LYS   9   8.358 -11.675 -20.016
   70    HZ3  LYS   9           2HZ      LYS   9   8.831 -10.110 -20.165
   71    HA   HYP  10           HA       HYP  10   9.789 -12.627 -11.655
   72    HB2  HYP  10           1HB      HYP  10  12.262 -11.494 -12.075
   73    HB3  HYP  10           2HB      HYP  10  11.880 -13.219 -12.388
   74    HG   HYP  10           HG       HYP  10  12.095 -10.919 -14.305
   75   HD22  HYP  10          1HD       HYP  10  10.250 -11.453 -15.494
   76   HD23  HYP  10          2HD       HYP  10  10.442 -13.214 -15.268
   77    HD1  HYP  10           HOD      HYP  10  13.690 -12.512 -14.331
   78    H    ASN  11           H        ASN  11  10.765 -10.863 -10.245
   79    HA   ASN  11           HA       ASN  11   8.902  -8.857  -9.890
   80    HB2  ASN  11           1HB      ASN  11  10.357  -9.713  -8.114
   81    HB3  ASN  11           2HB      ASN  11  11.774  -9.020  -8.911
   82   HD21  ASN  11          1HD2      ASN  11  12.425  -7.422  -7.425
   83   HD22  ASN  11          2HD2      ASN  11  11.386  -6.134  -6.867
   84    H    SER  12           H        SER  12  12.307  -7.889 -10.417
   85    HA   SER  12           HA       SER  12  11.723  -5.367 -11.439
   86    HB2  SER  12           1HB      SER  12  14.208  -6.986 -12.089
   87    HB3  SER  12           2HB      SER  12  14.074  -5.237 -11.842
   88    HG   SER  12           HG       SER  12  14.954  -6.289  -9.996
   89    H    DPN  13           H        DPN  13  11.624  -8.435 -12.977
   90    HA   DPN  13           HA       DPN  13  10.663  -9.128 -14.819
   91    HB2  DPN  13           1HB      DPN  13  12.752  -9.403 -15.623
   92    HB3  DPN  13           2HB      DPN  13  11.978  -8.529 -16.913
   93    HD1  DPN  13           HD1      DPN  13  12.855  -6.351 -17.604
   94    HD2  DPN  13           HD2      DPN  13  14.383  -8.307 -14.072
   95    HE1  DPN  13           HE1      DPN  13  14.748  -4.748 -17.533
   96    HE2  DPN  13           HE2      DPN  13  16.285  -6.708 -14.017
   97    HZ   DPN  13           HZ       DPN  13  16.467  -4.922 -15.741
   98    H    TRP  14           H        TRP  14   9.343  -6.723 -13.772
   99    HA   TRP  14           HA       TRP  14   7.523  -6.182 -15.889
  100    HB2  TRP  14           1HB      TRP  14   8.114  -5.040 -13.163
  101    HB3  TRP  14           2HB      TRP  14   7.053  -4.136 -14.231
  102    HD1  TRP  14           HD1      TRP  14   5.116  -6.150 -15.426
  103    HE1  TRP  14           HE1      TRP  14   3.381  -7.321 -13.964
  104    HE3  TRP  14           HE3      TRP  14   7.504  -5.750 -10.946
  105    HZ2  TRP  14           HZ2      TRP  14   3.004  -7.868 -11.110
  106    HZ3  TRP  14           HZ3      TRP  14   6.509  -6.643  -8.906
  107    HH2  TRP  14           HH2      TRP  14   4.189  -7.587  -8.930
  108    H    THR  15           H        THR  15  10.697  -4.858 -15.488
  109    HA   THR  15           HA       THR  15  10.061  -2.249 -16.646
  110    HB   THR  15           HB       THR  15  12.810  -3.441 -16.115
  111    HG1  THR  15           HG1      THR  15  11.812  -3.587 -14.206
  112   HG21  THR  15          3HG2      THR  15  12.774  -1.332 -17.422
  113   HG22  THR  15          1HG2      THR  15  13.425  -1.059 -15.798
  114   HG23  THR  15          2HG2      THR  15  11.760  -0.566 -16.182
  Start of MODEL   18
    1    H1   ASP   1           1H       ASP   1   4.636  -0.082  -1.722
    2    H2   ASP   1           2H       ASP   1   3.866  -0.326  -0.302
    3    H3   ASP   1           3H       ASP   1   3.809   1.154  -1.009
    4    HA   ASP   1           HA       ASP   1   1.730  -0.017  -1.307
    5    HB2  ASP   1           1HB      ASP   1   3.336   0.328  -3.869
    6    HB3  ASP   1           2HB      ASP   1   1.590   0.060  -3.800
    7    H    TRP   2           H        TRP   2   0.765  -2.007  -1.397
    8    HA   TRP   2           HA       TRP   2   2.487  -4.349  -1.789
    9    HB2  TRP   2           1HB      TRP   2   0.866  -4.067   0.129
   10    HB3  TRP   2           2HB      TRP   2  -0.450  -4.266  -1.019
   11    HD1  TRP   2           HD1      TRP   2   2.579  -6.152   0.425
   12    HE1  TRP   2           HE1      TRP   2   2.180  -8.669   0.346
   13    HE3  TRP   2           HE3      TRP   2  -1.880  -6.178  -2.109
   14    HZ2  TRP   2           HZ2      TRP   2   0.187 -10.489  -0.714
   15    HZ3  TRP   2           HZ3      TRP   2  -2.997  -8.322  -2.645
   16    HH2  TRP   2           HH2      TRP   2  -1.975 -10.482  -1.957
   17    H    GLU   3           H        GLU   3   2.801  -3.623  -4.090
   18    HA   GLU   3           HA       GLU   3   0.648  -4.210  -5.988
   19    HB2  GLU   3           1HB      GLU   3   3.468  -3.249  -6.138
   20    HB3  GLU   3           2HB      GLU   3   2.982  -4.330  -7.448
   21    HG2  GLU   3           1HG      GLU   3   1.030  -2.933  -7.953
   22    HG3  GLU   3           2HG      GLU   3   1.432  -1.843  -6.623
   23    H    TYR   4           H        TYR   4   0.261  -6.117  -6.983
   24    HA   TYR   4           HA       TYR   4   1.311  -8.572  -5.929
   25    HB2  TYR   4           1HB      TYR   4  -0.973  -8.269  -6.743
   26    HB3  TYR   4           2HB      TYR   4  -0.383  -7.907  -8.358
   27    HD1  TYR   4           HD2      TYR   4  -0.080 -10.636  -5.755
   28    HD2  TYR   4           HD1      TYR   4  -0.485  -9.636  -9.934
   29    HE1  TYR   4           HE2      TYR   4  -0.220 -13.043  -6.310
   30    HE2  TYR   4           HE1      TYR   4  -0.643 -12.041 -10.500
   31    HH   TYR   4           HH       TYR   4  -0.469 -14.628  -8.000
   32    H    HIS   5           H        HIS   5   2.571 -10.105  -7.002
   33    HA   HIS   5           HA       HIS   5   4.303  -9.172  -9.244
   34    HB2  HIS   5           1HB      HIS   5   5.997 -10.719  -8.391
   35    HB3  HIS   5           2HB      HIS   5   5.612  -9.450  -7.214
   36    HD2  HIS   5           HD2      HIS   5   5.548 -13.249  -7.687
   37    HE1  HIS   5           HE1      HIS   5   4.001 -12.528  -3.787
   38    HE2  HIS   5           HE2      HIS   5   4.808 -14.324  -5.416
   39    H    ALA   6           H        ALA   6   4.553 -10.620 -10.975
   40    HA   ALA   6           HA       ALA   6   2.491 -12.650 -11.310
   41    HB1  ALA   6           3HB      ALA   6   4.854 -11.830 -13.062
   42    HB2  ALA   6           1HB      ALA   6   3.594 -12.990 -13.527
   43    HB3  ALA   6           2HB      ALA   6   3.165 -11.301 -13.241
   44    H    HIS   7           H        HIS   7   3.030 -14.851 -11.858
   45    HA   HIS   7           HA       HIS   7   5.035 -16.011 -10.083
   46    HB2  HIS   7           1HB      HIS   7   3.018 -17.177 -10.082
   47    HB3  HIS   7           2HB      HIS   7   2.862 -17.171 -11.827
   48    HD1  HIS   7           HD1      HIS   7   5.584 -18.667  -9.420
   49    HD2  HIS   7           HD2      HIS   7   3.272 -19.494 -12.845
   50    HE1  HIS   7           HE1      HIS   7   6.240 -21.000 -10.182
   51    HA   PRO   8           HA       PRO   8   7.134 -17.641 -13.935
   52    HB2  PRO   8           1HB      PRO   8   6.496 -17.028 -16.505
   53    HB3  PRO   8           2HB      PRO   8   5.621 -18.265 -15.547
   54    HG2  PRO   8           1HG      PRO   8   4.889 -15.358 -15.943
   55    HG3  PRO   8           2HG      PRO   8   3.842 -16.792 -16.208
   56    HD2  PRO   8           1HD      PRO   8   3.742 -15.386 -13.898
   57    HD3  PRO   8           2HD      PRO   8   3.659 -17.178 -13.883
   58    H    LYS   9           H        LYS   9   6.178 -14.204 -14.499
   59    HA   LYS   9           HA       LYS   9   8.940 -13.561 -15.297
   60    HB2  LYS   9           1HB      LYS   9   7.019 -12.801 -16.643
   61    HB3  LYS   9           2HB      LYS   9   6.425 -11.855 -15.274
   62    HG2  LYS   9           1HG      LYS   9   7.517 -10.272 -16.623
   63    HG3  LYS   9           2HG      LYS   9   8.667 -10.602 -15.352
   64    HD2  LYS   9           1HD      LYS   9  10.013 -10.629 -17.284
   65    HD3  LYS   9           2HD      LYS   9   9.732 -12.333 -16.995
   66    HE2  LYS   9           1HE      LYS   9   9.451 -12.013 -19.320
   67    HE3  LYS   9           2HE      LYS   9   7.825 -12.236 -18.674
   68    HZ1  LYS   9           3HZ      LYS   9   9.058  -9.612 -19.311
   69    HZ2  LYS   9           1HZ      LYS   9   7.520  -9.837 -18.795
   70    HZ3  LYS   9           2HZ      LYS   9   7.981 -10.401 -20.254
   71    HA   HYP  10           HA       HYP  10   9.500 -12.127 -11.073
   72    HB2  HYP  10           1HB      HYP  10  11.932 -10.846 -11.338
   73    HB3  HYP  10           2HB      HYP  10  11.728 -12.625 -11.254
   74    HG   HYP  10           HG       HYP  10  12.187 -10.844 -13.620
   75   HD22  HYP  10          1HD       HYP  10  10.622 -11.801 -14.935
   76   HD23  HYP  10          2HD       HYP  10  10.862 -13.441 -14.270
   77    HD1  HYP  10           HOD      HYP  10  13.383 -12.647 -14.285
   78    H    ASN  11           H        ASN  11  10.088 -10.018  -9.971
   79    HA   ASN  11           HA       ASN  11   8.101  -8.151 -10.377
   80    HB2  ASN  11           1HB      ASN  11   9.305  -8.474  -8.261
   81    HB3  ASN  11           2HB      ASN  11  10.792  -7.856  -8.991
   82   HD21  ASN  11          1HD2      ASN  11  11.071  -6.003  -7.664
   83   HD22  ASN  11          2HD2      ASN  11   9.930  -4.681  -7.622
   84    H    SER  12           H        SER  12  11.492  -7.051 -10.595
   85    HA   SER  12           HA       SER  12  10.972  -4.862 -12.246
   86    HB2  SER  12           1HB      SER  12  13.596  -6.377 -12.059
   87    HB3  SER  12           2HB      SER  12  13.371  -4.639 -12.301
   88    HG   SER  12           HG       SER  12  12.660  -4.468 -10.158
   89    H    DPN  13           H        DPN  13  11.279  -8.194 -13.026
   90    HA   DPN  13           HA       DPN  13  10.728  -9.344 -14.805
   91    HB2  DPN  13           1HB      DPN  13  12.971  -9.553 -15.135
   92    HB3  DPN  13           2HB      DPN  13  12.360  -9.135 -16.711
   93    HD1  DPN  13           HD1      DPN  13  13.145  -7.093 -17.827
   94    HD2  DPN  13           HD2      DPN  13  14.218  -7.911 -13.723
   95    HE1  DPN  13           HE1      DPN  13  14.865  -5.308 -17.920
   96    HE2  DPN  13           HE2      DPN  13  15.947  -6.127 -13.829
   97    HZ   DPN  13           HZ       DPN  13  16.269  -4.820 -15.922
   98    H    TRP  14           H        TRP  14   9.091  -6.943 -14.559
   99    HA   TRP  14           HA       TRP  14   7.775  -7.032 -17.109
  100    HB2  TRP  14           1HB      TRP  14   7.467  -5.523 -14.524
  101    HB3  TRP  14           2HB      TRP  14   6.619  -4.916 -15.936
  102    HD1  TRP  14           HD1      TRP  14   5.325  -7.258 -17.302
  103    HE1  TRP  14           HE1      TRP  14   3.475  -8.614 -16.182
  104    HE3  TRP  14           HE3      TRP  14   6.441  -6.199 -12.443
  105    HZ2  TRP  14           HZ2      TRP  14   2.495  -9.053 -13.465
  106    HZ3  TRP  14           HZ3      TRP  14   5.085  -7.069 -10.628
  107    HH2  TRP  14           HH2      TRP  14   3.048  -8.476 -11.106
  108    H    THR  15           H        THR  15  10.548  -5.182 -16.218
  109    HA   THR  15           HA       THR  15   9.961  -2.766 -17.651
  110    HB   THR  15           HB       THR  15  12.685  -3.973 -17.018
  111    HG1  THR  15           HG1      THR  15  11.663  -3.842 -15.124
  112   HG21  THR  15          3HG2      THR  15  11.794  -1.084 -17.457
  113   HG22  THR  15          1HG2      THR  15  12.813  -2.045 -18.548
  114   HG23  THR  15          2HG2      THR  15  13.418  -1.603 -16.947
  Start of MODEL   19
    1    H1   ASP   1           1H       ASP   1   3.940  -0.909  -0.165
    2    H2   ASP   1           2H       ASP   1   4.932   0.203  -0.846
    3    H3   ASP   1           3H       ASP   1   5.519  -1.262  -0.376
    4    HA   ASP   1           HA       ASP   1   3.574  -0.820  -2.548
    5    HB2  ASP   1           1HB      ASP   1   6.495  -1.645  -2.696
    6    HB3  ASP   1           2HB      ASP   1   5.359  -1.662  -4.053
    7    H    TRP   2           H        TRP   2   2.102  -2.451  -2.408
    8    HA   TRP   2           HA       TRP   2   3.081  -5.179  -1.732
    9    HB2  TRP   2           1HB      TRP   2   1.085  -5.556  -0.465
   10    HB3  TRP   2           2HB      TRP   2   1.824  -4.091   0.138
   11    HD1  TRP   2           HD1      TRP   2   0.570  -1.732  -0.632
   12    HE1  TRP   2           HE1      TRP   2  -1.898  -1.223  -1.021
   13    HE3  TRP   2           HE3      TRP   2  -1.162  -6.527  -1.202
   14    HZ2  TRP   2           HZ2      TRP   2  -4.340  -2.709  -1.537
   15    HZ3  TRP   2           HZ3      TRP   2  -3.562  -6.945  -1.633
   16    HH2  TRP   2           HH2      TRP   2  -5.160  -5.048  -1.808
   17    H    GLU   3           H        GLU   3   2.758  -3.908  -4.338
   18    HA   GLU   3           HA       GLU   3   0.398  -4.886  -5.654
   19    HB2  GLU   3           1HB      GLU   3   3.020  -3.678  -6.467
   20    HB3  GLU   3           2HB      GLU   3   2.230  -4.676  -7.677
   21    HG2  GLU   3           1HG      GLU   3   0.754  -2.438  -6.238
   22    HG3  GLU   3           2HG      GLU   3   1.695  -2.177  -7.704
   23    H    TYR   4           H        TYR   4   0.067  -6.713  -6.851
   24    HA   TYR   4           HA       TYR   4   1.295  -9.128  -6.005
   25    HB2  TYR   4           1HB      TYR   4  -1.017  -8.927  -6.763
   26    HB3  TYR   4           2HB      TYR   4  -0.474  -8.469  -8.375
   27    HD1  TYR   4           HD1      TYR   4  -0.023 -11.275  -5.881
   28    HD2  TYR   4           HD2      TYR   4  -0.479 -10.136 -10.024
   29    HE1  TYR   4           HE1      TYR   4  -0.062 -13.662  -6.533
   30    HE2  TYR   4           HE2      TYR   4  -0.534 -12.525 -10.678
   31    HH   TYR   4           HH       TYR   4  -0.247 -15.192  -8.277
   32    H    HIS   5           H        HIS   5   2.621 -10.546  -7.109
   33    HA   HIS   5           HA       HIS   5   4.290  -9.470  -9.332
   34    HB2  HIS   5           1HB      HIS   5   6.088 -10.893  -8.522
   35    HB3  HIS   5           2HB      HIS   5   5.612  -9.707  -7.294
   36    HD2  HIS   5           HD2      HIS   5   4.328 -10.656  -5.084
   37    HE1  HIS   5           HE1      HIS   5   5.188 -14.770  -5.744
   38    HE2  HIS   5           HE2      HIS   5   4.322 -13.070  -4.056
   39    H    ALA   6           H        ALA   6   4.667 -10.910 -11.063
   40    HA   ALA   6           HA       ALA   6   2.692 -13.027 -11.429
   41    HB1  ALA   6           3HB      ALA   6   5.007 -12.069 -13.176
   42    HB2  ALA   6           1HB      ALA   6   3.799 -13.279 -13.650
   43    HB3  ALA   6           2HB      ALA   6   3.298 -11.611 -13.340
   44    H    HIS   7           H        HIS   7   3.312 -15.204 -11.903
   45    HA   HIS   7           HA       HIS   7   5.397 -16.244 -10.161
   46    HB2  HIS   7           1HB      HIS   7   3.465 -17.540 -10.171
   47    HB3  HIS   7           2HB      HIS   7   3.295 -17.514 -11.915
   48    HD1  HIS   7           HD1      HIS   7   6.132 -18.889  -9.568
   49    HD2  HIS   7           HD2      HIS   7   3.807 -19.797 -12.964
   50    HE1  HIS   7           HE1      HIS   7   6.899 -21.174 -10.374
   51    HA   PRO   8           HA       PRO   8   7.626 -17.677 -14.027
   52    HB2  PRO   8           1HB      PRO   8   6.945 -17.087 -16.589
   53    HB3  PRO   8           2HB      PRO   8   6.158 -18.392 -15.644
   54    HG2  PRO   8           1HG      PRO   8   5.225 -15.537 -16.012
   55    HG3  PRO   8           2HG      PRO   8   4.280 -17.038 -16.295
   56    HD2  PRO   8           1HD      PRO   8   4.084 -15.665 -13.972
   57    HD3  PRO   8           2HD      PRO   8   4.116 -17.459 -13.976
   58    H    LYS   9           H        LYS   9   6.416 -14.315 -14.517
   59    HA   LYS   9           HA       LYS   9   9.100 -13.445 -15.369
   60    HB2  LYS   9           1HB      LYS   9   7.091 -12.800 -16.634
   61    HB3  LYS   9           2HB      LYS   9   6.461 -11.946 -15.224
   62    HG2  LYS   9           1HG      LYS   9   7.379 -10.232 -16.530
   63    HG3  LYS   9           2HG      LYS   9   8.611 -10.520 -15.319
   64    HD2  LYS   9           1HD      LYS   9   9.778 -10.292 -17.362
   65    HD3  LYS   9           2HD      LYS   9   9.781 -12.035 -17.068
   66    HE2  LYS   9           1HE      LYS   9   7.864 -12.307 -18.622
   67    HE3  LYS   9           2HE      LYS   9   7.788 -10.554 -18.848
   68    HZ1  LYS   9           3HZ      LYS   9   8.956 -11.614 -20.652
   69    HZ2  LYS   9           1HZ      LYS   9  10.060 -12.274 -19.644
   70    HZ3  LYS   9           2HZ      LYS   9   9.991 -10.647 -19.841
   71    HA   HYP  10           HA       HYP  10   9.639 -12.100 -11.103
   72    HB2  HYP  10           1HB      HYP  10  12.014 -10.723 -11.355
   73    HB3  HYP  10           2HB      HYP  10  11.884 -12.512 -11.320
   74    HG   HYP  10           HG       HYP  10  12.248 -10.648 -13.633
   75   HD22  HYP  10          1HD       HYP  10  10.698 -11.613 -14.962
   76   HD23  HYP  10          2HD       HYP  10  11.022 -13.267 -14.364
   77    HD1  HYP  10           HOD      HYP  10  13.511 -12.375 -14.362
   78    H    ASN  11           H        ASN  11  10.124  -9.991  -9.962
   79    HA   ASN  11           HA       ASN  11   8.051  -8.213 -10.381
   80    HB2  ASN  11           1HB      ASN  11   9.223  -8.554  -8.241
   81    HB3  ASN  11           2HB      ASN  11  10.676  -7.785  -8.897
   82   HD21  ASN  11          1HD2      ASN  11   7.168  -7.164  -8.177
   83   HD22  ASN  11          2HD2      ASN  11   7.366  -5.450  -7.898
   84    H    SER  12           H        SER  12  11.400  -6.970 -10.477
   85    HA   SER  12           HA       SER  12  10.840  -4.762 -12.075
   86    HB2  SER  12           1HB      SER  12  13.516  -6.193 -11.950
   87    HB3  SER  12           2HB      SER  12  13.220  -4.454 -12.086
   88    HG   SER  12           HG       SER  12  12.432  -4.492  -9.929
   89    H    DPN  13           H        DPN  13  11.313  -8.055 -12.949
   90    HA   DPN  13           HA       DPN  13  10.774  -9.153 -14.779
   91    HB2  DPN  13           1HB      DPN  13  13.041  -9.329 -15.061
   92    HB3  DPN  13           2HB      DPN  13  12.448  -8.888 -16.635
   93    HD1  DPN  13           HD1      DPN  13  13.242  -6.837 -17.706
   94    HD2  DPN  13           HD2      DPN  13  14.196  -7.668 -13.576
   95    HE1  DPN  13           HE1      DPN  13  14.941  -5.030 -17.735
   96    HE2  DPN  13           HE2      DPN  13  15.909  -5.863 -13.619
   97    HZ   DPN  13           HZ       DPN  13  16.281  -4.542 -15.696
   98    H    TRP  14           H        TRP  14   9.066  -6.870 -14.497
   99    HA   TRP  14           HA       TRP  14   7.778  -7.015 -17.032
  100    HB2  TRP  14           1HB      TRP  14   7.390  -5.519 -14.459
  101    HB3  TRP  14           2HB      TRP  14   6.551  -4.902 -15.872
  102    HD1  TRP  14           HD1      TRP  14   5.339  -7.243 -17.310
  103    HE1  TRP  14           HE1      TRP  14   3.530  -8.702 -16.252
  104    HE3  TRP  14           HE3      TRP  14   6.345  -6.263 -12.411
  105    HZ2  TRP  14           HZ2      TRP  14   2.569  -9.298 -13.557
  106    HZ3  TRP  14           HZ3      TRP  14   5.016  -7.253 -10.637
  107    HH2  TRP  14           HH2      TRP  14   3.070  -8.762 -11.177
  108    H    THR  15           H        THR  15  10.453  -4.901 -16.174
  109    HA   THR  15           HA       THR  15   9.469  -2.744 -17.906
  110    HB   THR  15           HB       THR  15  11.623  -1.649 -17.478
  111    HG1  THR  15           HG1      THR  15  13.003  -2.489 -15.926
  112   HG21  THR  15          3HG2      THR  15   9.632  -1.267 -16.052
  113   HG22  THR  15          1HG2      THR  15  11.136  -1.104 -15.138
  114   HG23  THR  15          2HG2      THR  15  10.150  -2.571 -14.967
  Start of MODEL   20
    1    H1   ASP   1           1H       ASP   1   6.297  -3.103  -0.886
    2    H2   ASP   1           2H       ASP   1   6.638  -1.585  -1.416
    3    H3   ASP   1           3H       ASP   1   6.377  -2.808  -2.488
    4    HA   ASP   1           HA       ASP   1   4.371  -1.727  -0.645
    5    HB2  ASP   1           1HB      ASP   1   4.984  -0.182  -2.519
    6    HB3  ASP   1           2HB      ASP   1   4.503  -1.439  -3.670
    7    H    TRP   2           H        TRP   2   2.144  -2.617  -1.107
    8    HA   TRP   2           HA       TRP   2   2.360  -5.470  -1.139
    9    HB2  TRP   2           1HB      TRP   2   0.074  -5.436  -0.385
   10    HB3  TRP   2           2HB      TRP   2   0.939  -4.159   0.438
   11    HD1  TRP   2           HD1      TRP   2   0.408  -1.591  -0.473
   12    HE1  TRP   2           HE1      TRP   2  -1.708  -0.562  -1.438
   13    HE3  TRP   2           HE3      TRP   2  -2.093  -5.899  -1.693
   14    HZ2  TRP   2           HZ2      TRP   2  -4.192  -1.481  -2.627
   15    HZ3  TRP   2           HZ3      TRP   2  -4.334  -5.786  -2.736
   16    HH2  TRP   2           HH2      TRP   2  -5.391  -3.587  -3.216
   17    H    GLU   3           H        GLU   3   2.856  -4.240  -3.740
   18    HA   GLU   3           HA       GLU   3   0.586  -4.789  -5.493
   19    HB2  GLU   3           1HB      GLU   3   2.215  -2.978  -5.941
   20    HB3  GLU   3           2HB      GLU   3   3.502  -4.176  -6.142
   21    HG2  GLU   3           1HG      GLU   3   2.367  -5.114  -8.102
   22    HG3  GLU   3           2HG      GLU   3   0.953  -4.095  -7.818
   23    H    TYR   4           H        TYR   4   0.243  -6.652  -6.657
   24    HA   TYR   4           HA       TYR   4   1.429  -9.093  -5.788
   25    HB2  TYR   4           1HB      TYR   4  -0.879  -8.852  -6.547
   26    HB3  TYR   4           2HB      TYR   4  -0.333  -8.414  -8.160
   27    HD1  TYR   4           HD1      TYR   4   0.132 -11.209  -5.653
   28    HD2  TYR   4           HD2      TYR   4  -0.414 -10.100  -9.788
   29    HE1  TYR   4           HE1      TYR   4   0.057 -13.604  -6.282
   30    HE2  TYR   4           HE2      TYR   4  -0.509 -12.488 -10.425
   31    HH   TYR   4           HH       TYR   4  -0.425 -14.693  -9.681
   32    H    HIS   5           H        HIS   5   2.717 -10.556  -6.928
   33    HA   HIS   5           HA       HIS   5   4.393  -9.482  -9.147
   34    HB2  HIS   5           1HB      HIS   5   6.182 -10.905  -8.364
   35    HB3  HIS   5           2HB      HIS   5   5.704  -9.770  -7.089
   36    HD2  HIS   5           HD2      HIS   5   4.336 -10.836  -4.951
   37    HE1  HIS   5           HE1      HIS   5   5.359 -14.890  -5.738
   38    HE2  HIS   5           HE2      HIS   5   4.378 -13.287  -4.018
   39    H    ALA   6           H        ALA   6   4.740 -10.914 -10.895
   40    HA   ALA   6           HA       ALA   6   2.736 -13.011 -11.249
   41    HB1  ALA   6           3HB      ALA   6   3.270 -11.568 -13.154
   42    HB2  ALA   6           1HB      ALA   6   4.988 -12.011 -13.053
   43    HB3  ALA   6           2HB      ALA   6   3.777 -13.225 -13.508
   44    H    HIS   7           H        HIS   7   3.335 -15.175 -11.803
   45    HA   HIS   7           HA       HIS   7   5.470 -16.265 -10.151
   46    HB2  HIS   7           1HB      HIS   7   3.533 -17.546 -10.105
   47    HB3  HIS   7           2HB      HIS   7   3.282 -17.477 -11.837
   48    HD1  HIS   7           HD1      HIS   7   6.211 -18.941  -9.661
   49    HD2  HIS   7           HD2      HIS   7   3.715 -19.740 -12.961
   50    HE1  HIS   7           HE1      HIS   7   6.908 -21.214 -10.556
   51    HA   PRO   8           HA       PRO   8   7.527 -17.679 -14.112
   52    HB2  PRO   8           1HB      PRO   8   6.760 -17.055 -16.641
   53    HB3  PRO   8           2HB      PRO   8   5.987 -18.355 -15.679
   54    HG2  PRO   8           1HG      PRO   8   5.091 -15.481 -15.985
   55    HG3  PRO   8           2HG      PRO   8   4.110 -16.963 -16.247
   56    HD2  PRO   8           1HD      PRO   8   4.024 -15.610 -13.904
   57    HD3  PRO   8           2HD      PRO   8   4.027 -17.405 -13.927
   58    H    LYS   9           H        LYS   9   6.360 -14.293 -14.503
   59    HA   LYS   9           HA       LYS   9   9.033 -13.460 -15.430
   60    HB2  LYS   9           1HB      LYS   9   7.005 -12.809 -16.660
   61    HB3  LYS   9           2HB      LYS   9   6.411 -11.934 -15.249
   62    HG2  LYS   9           1HG      LYS   9   7.320 -10.256 -16.635
   63    HG3  LYS   9           2HG      LYS   9   8.516 -10.504 -15.384
   64    HD2  LYS   9           1HD      LYS   9   9.895 -10.435 -17.194
   65    HD3  LYS   9           2HD      LYS   9   9.618 -12.165 -17.196
   66    HE2  LYS   9           1HE      LYS   9   8.077 -10.117 -18.871
   67    HE3  LYS   9           2HE      LYS   9   9.486 -11.012 -19.438
   68    HZ1  LYS   9           3HZ      LYS   9   7.489 -12.055 -20.187
   69    HZ2  LYS   9           1HZ      LYS   9   6.900 -12.220 -18.675
   70    HZ3  LYS   9           2HZ      LYS   9   8.232 -13.066 -19.144
   71    HA   HYP  10           HA       HYP  10   9.677 -12.146 -11.183
   72    HB2  HYP  10           1HB      HYP  10  12.059 -10.797 -11.461
   73    HB3  HYP  10           2HB      HYP  10  11.909 -12.585 -11.485
   74    HG   HYP  10           HG       HYP  10  12.193 -10.646 -13.762
   75   HD22  HYP  10          1HD       HYP  10  10.639 -11.633 -15.071
   76   HD23  HYP  10          2HD       HYP  10  10.980 -13.281 -14.475
   77    HD1  HYP  10           HOD      HYP  10  13.934 -11.986 -13.249
   78    H    ASN  11           H        ASN  11  10.225 -10.062 -10.021
   79    HA   ASN  11           HA       ASN  11   8.171  -8.248 -10.297
   80    HB2  ASN  11           1HB      ASN  11   9.447  -8.607  -8.232
   81    HB3  ASN  11           2HB      ASN  11  10.892  -7.917  -8.981
   82   HD21  ASN  11          1HD2      ASN  11  11.229  -5.971  -7.868
   83   HD22  ASN  11          2HD2      ASN  11  10.006  -4.743  -7.648
   84    H    SER  12           H        SER  12  11.509  -7.012 -10.570
   85    HA   SER  12           HA       SER  12  10.856  -4.789 -12.128
   86    HB2  SER  12           1HB      SER  12  13.544  -6.205 -12.046
   87    HB3  SER  12           2HB      SER  12  13.244  -4.471 -12.226
   88    HG   SER  12           HG       SER  12  12.596  -4.385 -10.072
   89    H    DPN  13           H        DPN  13  11.281  -8.078 -13.023
   90    HA   DPN  13           HA       DPN  13  10.726  -9.188 -14.832
   91    HB2  DPN  13           1HB      DPN  13  12.979  -9.299 -15.204
   92    HB3  DPN  13           2HB      DPN  13  12.308  -8.874 -16.754
   93    HD1  DPN  13           HD1      DPN  13  12.979  -6.780 -17.847
   94    HD2  DPN  13           HD2      DPN  13  14.191  -7.635 -13.790
   95    HE1  DPN  13           HE1      DPN  13  14.620  -4.921 -17.944
   96    HE2  DPN  13           HE2      DPN  13  15.841  -5.776 -13.901
   97    HZ   DPN  13           HZ       DPN  13  16.053  -4.415 -15.974
   98    H    TRP  14           H        TRP  14   8.994  -6.899 -14.463
   99    HA   TRP  14           HA       TRP  14   7.629  -6.945 -16.979
  100    HB2  TRP  14           1HB      TRP  14   7.327  -5.539 -14.337
  101    HB3  TRP  14           2HB      TRP  14   6.431  -4.900 -15.705
  102    HD1  TRP  14           HD1      TRP  14   5.183  -7.226 -17.142
  103    HE1  TRP  14           HE1      TRP  14   3.403  -8.689 -16.042
  104    HE3  TRP  14           HE3      TRP  14   6.363  -6.325 -12.265
  105    HZ2  TRP  14           HZ2      TRP  14   2.512  -9.294 -13.326
  106    HZ3  TRP  14           HZ3      TRP  14   5.081  -7.323 -10.462
  107    HH2  TRP  14           HH2      TRP  14   3.095  -8.795 -10.958
  108    H    THR  15           H        THR  15  10.343  -5.001 -16.105
  109    HA   THR  15           HA       THR  15   9.625  -2.575 -17.457
  110    HB   THR  15           HB       THR  15  12.405  -3.699 -16.928
  111    HG1  THR  15           HG1      THR  15  11.435  -3.646 -15.005
  112   HG21  THR  15          3HG2      THR  15  13.056  -1.302 -16.818
  113   HG22  THR  15          1HG2      THR  15  11.402  -0.833 -17.279
  114   HG23  THR  15          2HG2      THR  15  12.430  -1.734 -18.415