*HEADER    TOXIN                                   31-MAY-07   2JQB              
*TITLE     SOLUTION STRUCTURE OF A NOVEL D-AMINO ACID CONTAINING                 
*TITLE    2 CONOPEPTIDE, CONOMARPHIN AT PH 5                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MR12;                                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE IS NATURALLY FOUND IN CONUS               
*SOURCE   4 MARMOREUS.                                                           
*KEYWDS    M CONO-TOXIN, MR12, NMR SOLUTION STRUCTURE                            
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    F.HUANG, W.DU, Y.HAN, C.WANG, C.CHI                                   
*REVDAT   1   03-JUN-08 2JQB    0                                                


  6 ALA  HN      6 ALA  HA      3.21            #peak     2
  5 HIP  HN      5 HIP  HA      3.05            #peak     3
  4 TYR  HA      5 HIP  HN      2.52            #peak     4
  3 GLU  HA      4 TYR  HN      2.46            #peak     8
  6 ALA  HA      7 HIP  HN      2.52            #peak     9
 11 ASN  HA     12 SER  HN      2.77            #peak    10
  7 HIP  HN      7 HIP  HA      2.68            #peak    11
  8 PRO  HA      9 LYS  HN      2.40            #peak    15
  9 LYS  HN      9 LYS  HA      3.24            #peak    16
 11 ASN  HN     11 ASN  HA      2.92            #peak    17
  2 TRP  HA      3 GLU  HN      2.71            #peak    18
 13 PHD  HA     14 TRP  HN      3.23            #peak    19
 13 PHD  HN     13 PHD  HA      3.11            #peak    20
 14 TRP  HN     14 TRP  HA      3.48            #peak    21
 12 SER  HA     13 PHD  HN      3.36            #peak    22
 11 ASN  HN     11 ASN  QB      4.24            #peak    23
 10 PR4  HB3    11 ASN  HN      3.48            #peak    24
  2 TRP  HN      2 TRP  QB      4.68            #peak    26
  2 TRP  HN      2 TRP  HA      3.67            #peak    27
 12 SER  HN     12 SER  HB3     2.62            #peak    28
 12 SER  HN     12 SER  HB2     2.74            #peak    29
 12 SER  HB3    13 PHD  HN      3.83            #peak    30
 12 SER  HB2    13 PHD  HN      4.23            #peak    31
  2 TRP  QB      3 GLU  HN      4.80            #peak    36
 14 TRP  HN     14 TRP  HB2     3.17            #peak    38
 12 SER  HA     14 TRP  HN      3.83            #peak    41
  4 TYR  HB2     5 HIP  HN      3.76            #peak    42
  4 TYR  HB3     5 HIP  HN      2.55            #peak    43
  4 TYR  HN      4 TYR  HB2     2.49            #peak    44
  3 GLU  HN      3 GLU  HB2     2.55            #peak    45
  3 GLU  HA      3 GLU  HB3     2.95            #peak    48
  3 GLU  HA      3 GLU  HB2     2.74            #peak    49
  1 ASP  HA      2 TRP  HN      3.36            #peak    73
 14 TRP  HA     15 THR  HN      3.30            #peak    74
 14 TRP  HB3    15 THR  HN      4.54            #peak    75
 14 TRP  HB2    15 THR  HN      4.14            #peak    76
 11 ASN  QB     12 SER  HN      4.00            #peak    82
  6 ALA  HN      7 HIP  HN      3.42            #peak    86
  5 HIP  HN      6 ALA  HN      4.57            #peak    88
 14 TRP  HN     15 THR  HN      3.64            #peak   127
 10 PR4  HB3    10 PR4  HA      3.61            #peak   152
 12 SER  HA     12 SER  HB2     3.14            #peak   164
 12 SER  HA     12 SER  HB3     3.33            #peak   165
  2 TRP  HA      2 TRP  QB      4.09            #peak   166
  5 HIP  HA      5 HIP  HB2     2.80            #peak   167
  5 HIP  HA      5 HIP  HB3     3.02            #peak   168
  4 TYR  HA      4 TYR  HB3     2.86            #peak   169
  4 TYR  HA      4 TYR  HB2     2.74            #peak   170
  7 HIP  HN      7 HIP  HB2     3.45            #peak   184
  5 HIP  HA      6 ALA  HN      3.61            #peak   190
  1 ASP  HA      1 ASP  HB2     3.76            #peak   193
  1 ASP  HA      1 ASP  HB3     3.61            #peak   194
 12 SER  HN     12 SER  HA      2.80            #peak   200
 15 THR  HN     15 THR  HB      4.20            #peak   201
 14 TRP  HA     14 TRP  HB3     3.05            #peak   208
  7 HIP  HN      7 HIP  HB3     3.08            #peak   211
  4 TYR  HN      4 TYR  HB3     2.99            #peak   214
 13 PHD  HN     13 PHD  HB3     4.00            #peak   215
 13 PHD  HN     13 PHD  HB2     3.45            #peak   216
 13 PHD  HB2    14 TRP  HN      4.00            #peak   217
 13 PHD  HB3    14 TRP  HN      4.10            #peak   218
  5 HIP  HB3     6 ALA  HN      3.67            #peak   219
  5 HIP  HN      5 HIP  HB3     3.14            #peak   220
  5 HIP  HN      5 HIP  HB2     3.33            #peak   223
  5 HIP  HB2     6 ALA  HN      3.00            #peak   224
 14 TRP  HN     14 TRP  HB3     3.50            #peak   226
 11 ASN  HA     11 ASN  QB      3.93            #peak   229
  8 PRO  HA      8 PRO  HB2     3.08            #peak   253
  8 PRO  HA      8 PRO  HB3     2.80            #peak   255
  8 PRO  HA      9 LYS  HB2     4.17            #peak   256
  9 LYS  HA      9 LYS  HB3     3.11            #peak   257
  9 LYS  HA      9 LYS  HB2     3.14            #peak   258
 10 PR4  HB2    11 ASN  HN      3.48            #peak   260
  8 PRO  HB3     9 LYS  HN      3.55            #peak   262
  8 PRO  HB2     9 LYS  HN      3.42            #peak   263
  9 LYS  HN      9 LYS  HB3     3.36            #peak   264
  9 LYS  HN      9 LYS  HB2     3.08            #peak   265
  9 LYS  HB3    11 ASN  HN      5.13            #peak   267
  3 GLU  HN      3 GLU  HB3     3.33            #peak   269
  2 TRP  HN      3 GLU  HN      4.35            #peak   287
 11 ASN  HN     12 SER  HN      3.39            #peak   288
 13 PHD  HN     14 TRP  HN      3.45            #peak   289
 12 SER  HN     13 PHD  HN      3.39            #peak   291
  1 ASP  HB3     2 TRP  HN      4.48            #peak   300
  1 ASP  HB2     2 TRP  HN      4.66            #peak   301
  4 TYR  HA      6 ALA  HN      4.79            #peak   307
  3 GLU  HN      3 GLU  QG      5.79            #peak    46
  8 PRO  HB3     8 PRO  HD2     4.10            #peak    60
 10 PR4  HG     10 PR4  HD3     3.73            #peak    62
  9 LYS  HB3    10 PR4  HD2     3.79            #peak    66
  7 HIP  HN      8 PRO  HD2     5.07            #peak    69
  9 LYS  HN     10 PR4  HD2     5.47            #peak    71
  9 LYS  HN     10 PR4  HD3     5.50            #peak    72
 14 TRP  HA     14 TRP  HE3     3.89            #peak    77
 14 TRP  HB3    14 TRP  HE3     4.45            #peak    78
 14 TRP  HB2    14 TRP  HE3     4.57            #peak    79
  2 TRP  QB      2 TRP  HE3     5.27            #peak    80
  2 TRP  HA      2 TRP  HE3     4.35            #peak    81
  5 HIP  HN      5 HIP  HD2     4.91            #peak    92
 13 PHD  HD     14 TRP  HN      7.63            #peak    94
 11 ASN  HD21   11 ASN  HD22    2.40            #peak    97
 13 PHD  HB3    13 PHD  HD      6.82            #peak   100
 13 PHD  HA     13 PHD  HD      7.13            #peak   101
  4 TYR  HA      4 TYR  HD      6.02            #peak   103
  4 TYR  HD      5 HIP  HA      7.63            #peak   104
  5 HIP  HA      5 HIP  HD2     5.00            #peak   105
  4 TYR  HA      5 HIP  HD2     5.50            #peak   106
  2 TRP  HA      2 TRP  HD1     5.25            #peak   107
 14 TRP  HA     14 TRP  HD1     5.50            #peak   108
  4 TYR  HA      4 TYR  HE      7.63            #peak   109
  3 GLU  HA      4 TYR  HD      7.19            #peak   110
  2 TRP  HE3     3 GLU  HA      4.76            #peak   111
  7 HIP  HB3     7 HIP  HD2     4.51            #peak   112
  5 HIP  HB2     5 HIP  HD2     5.16            #peak   114
 14 TRP  HB2    14 TRP  HD1     4.26            #peak   116
  2 TRP  QB      2 TRP  HD1     5.27            #peak   117
  4 TYR  HB2     4 TYR  HE      7.63            #peak   118
  4 TYR  HB3     4 TYR  HE      7.63            #peak   119
  4 TYR  HB3     4 TYR  HD      4.53            #peak   120
  4 TYR  HB2     4 TYR  HD      5.43            #peak   121
 14 TRP  HB3    14 TRP  HD1     4.91            #peak   123
  7 HIP  HA      7 HIP  HD2     5.50            #peak   124
  7 HIP  HE1     7 HIP  HD2     5.50            #peak   125
  7 HIP  HN      7 HIP  HD2     5.50            #peak   126
 14 TRP  HN     14 TRP  HD1     4.97            #peak   128
 14 TRP  HE3    14 TRP  HZ3     3.33            #peak   129
  2 TRP  HD1     2 TRP  HE1     2.93            #peak   131
  2 TRP  HZ2     2 TRP  HH2     2.43            #peak   133
  2 TRP  HE3     2 TRP  HZ3     3.11            #peak   134
 13 PHD  HE     13 PHD  HD      7.71            #peak   138
 11 ASN  HA     13 PHD  HE      7.04            #peak   139
 12 SER  HA     13 PHD  HE      7.63            #peak   140
 11 ASN  QB     13 PHD  HE      8.51            #peak   141
 13 PHD  HD     14 TRP  HE1     7.63            #peak   144
 13 PHD  HN     13 PHD  HD      7.63            #peak   145
  4 TYR  HD      5 HIP  HN      4.53            #peak   146
  4 TYR  HN      4 TYR  HD      5.74            #peak   147
  2 TRP  HD1     3 GLU  HN      5.50            #peak   148
  4 TYR  HD      4 TYR  HE      7.16            #peak   149
 10 PR4  HD3    10 PR4  HA      5.13            #peak   156
  8 PRO  HD3     8 PRO  HD2     2.40            #peak   162
 10 PR4  HD2    10 PR4  HD3     2.40            #peak   163
 13 PHD  HD     13 PHD  HB2     4.53            #peak   173
  5 HIP  HB3     5 HIP  HD2     4.23            #peak   175
 11 ASN  QB     11 ASN  HD22    6.38            #peak   176
  7 HIP  HN      8 PRO  HD3     5.50            #peak   185
  9 LYS  QD      9 LYS  QE      7.26            #peak   202
  7 HIP  HB3     8 PRO  HD3     4.10            #peak   203
  7 HIP  HB2     8 PRO  HD3     3.39            #peak   204
  7 HIP  HB2     8 PRO  HD2     5.50            #peak   205
  7 HIP  HB3     8 PRO  HD2     2.85            #peak   206
 14 TRP  HB3    14 TRP  HB2     2.40            #peak   207
  7 HIP  HB2     7 HIP  HD2     4.01            #peak   210
 11 ASN  QB     11 ASN  HD21    6.38            #peak   228
  8 PRO  QG      8 PRO  HB3     4.40            #peak   230
  8 PRO  HB2     8 PRO  HB3     2.40            #peak   231
  9 LYS  HB3     9 LYS  QG      4.52            #peak   232
  9 LYS  HB2     9 LYS  QG      3.44            #peak   233
  9 LYS  QG      9 LYS  QD      4.57            #peak   234
  9 LYS  QG     10 PR4  HD2     6.38            #peak   235
  8 PRO  HD3     8 PRO  HB2     3.85            #peak   236
  8 PRO  HD3     8 PRO  QG      4.31            #peak   237
  8 PRO  HD2     8 PRO  HB2     4.00            #peak   238
  8 PRO  HD2     8 PRO  QG      4.19            #peak   239
 10 PR4  HD2    10 PR4  HG      3.45            #peak   240
  8 PRO  HD3     8 PRO  HB3     3.24            #peak   243
 10 PR4  HD2    10 PR4  HB2     4.63            #peak   244
 10 PR4  HD3    10 PR4  HB2     4.48            #peak   245
  9 LYS  HB3    10 PR4  HD3     3.86            #peak   246
  9 LYS  HB2    10 PR4  HD2     4.20            #peak   248
  9 LYS  HB2    10 PR4  HD3     4.54            #peak   249
  3 GLU  HA      3 GLU  QG      6.10            #peak   250
  8 PRO  HA      8 PRO  QG      5.52            #peak   254
  7 HIP  HA      8 PRO  QG      6.39            #peak   259
 10 PR4  HG     11 ASN  HN      4.42            #peak   261
  8 PRO  QG      9 LYS  HN      5.77            #peak   266
  9 LYS  HA      9 LYS  QG      5.45            #peak   271
  9 LYS  HN      9 LYS  QG      5.89            #peak   281
 14 TRP  HN     14 TRP  HE3     5.55            #peak   290
  7 HIP  HA      8 PRO  HD3     3.11            #peak   292
  7 HIP  HA      8 PRO  HD2     3.17            #peak   293
  2 TRP  HE1     2 TRP  HZ2     3.73            #peak   294
 14 TRP  HE1    14 TRP  HD1     2.59            #peak   295
  2 TRP  HZ3     4 TYR  HN      5.50            #peak   297
 10 PR4  HG     10 PR4  HB2     2.40            #peak   298
 13 PHD  HB2    14 TRP  HD1     5.50            #peak   299
  4 TYR  HE      6 ALA  HA      7.54            #peak   302
  6 ALA  HA      7 HIP  HD2     5.50            #peak   303
  5 HIP  HD2     5 HIP  HE1     5.50            #peak   304
  5 HIP  HA      5 HIP  HE1     5.50            #peak   305
  6 ALA  HA      7 HIP  HE1     4.79            #peak   306
  5 HIP  HB3     5 HIP  HE1     5.50            #peak   308
  6 ALA  HN      6 ALA  QB      4.10            #peak     1
  6 ALA  QB      7 HIP  HN      4.94            #peak    14
  6 ALA  QB      7 HIP  HD2     6.52            #peak   122
  4 TYR  HE      6 ALA  QB      8.40            #peak   142
  4 TYR  HD      6 ALA  QB      8.55            #peak   143
 15 THR  HA     15 THR  QG2     6.27            #peak   195
  5 HIP  HA      6 ALA  QB      5.96            #peak   272
  6 ALA  HA      6 ALA  QB      4.01            #peak   273
  6 ALA  QB      8 PRO  HD2     6.52            #peak   274
  6 ALA  QB      8 PRO  HD3     6.52            #peak   275
  6 ALA  QB      7 HIP  HB3     5.75            #peak   276
  6 ALA  QB      7 HIP  HB2     6.52            #peak   277
 11 ASN  HD22   15 THR  QG2     6.49            #peak   279
#hbond upl
  11 ASN  O       14 TRP   HN     2.20
  11 ASN  O       14 TRP   N      3.20
  12 SER  O       15 THR   HN     2.20
  12 SER  O       15 THR   N      3.20
#aco
  2  TRP    PHI     -90    -40
  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      -90   -40
 15  THR    PHI     -165   -75

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   ASP   1           HA       ASP   1  -0.556  -0.647  -1.553
    2    H1   ASP   1           H1       ASP   1  -2.424   0.200  -0.335
    3    H2   ASP   1           H2       ASP   1  -2.827  -1.204  -1.091
    4    H3   ASP   1           H3       ASP   1  -3.347   0.243  -1.680
    5    HB2  ASP   1           HB2      ASP   1  -0.582  -0.916  -3.908
    6    HB3  ASP   1           HB3      ASP   1  -2.027  -1.743  -3.334
    7    H    TRP   2           H        TRP   2   0.679   0.852  -3.311
    8    HA   TRP   2           HA       TRP   2  -0.157   3.659  -3.152
    9    HD1  TRP   2           HD1      TRP   2   2.195   0.834  -0.744
   10    HE1  TRP   2           HE1      TRP   2   4.577  -0.052  -0.992
   11    HE3  TRP   2           HE3      TRP   2   4.133   4.632  -3.525
   12    HZ2  TRP   2           HZ2      TRP   2   7.061   0.797  -2.298
   13    HZ3  TRP   2           HZ3      TRP   2   6.507   4.571  -4.288
   14    HH2  TRP   2           HH2      TRP   2   7.968   2.640  -3.659
   15    HB2  TRP   2           HB2      TRP   2   1.975   4.383  -2.217
   16    HB3  TRP   2           HB3      TRP   2   1.139   3.331  -1.099
   17    H    GLU   3           H        GLU   3  -0.192   1.833  -5.275
   18    HA   GLU   3           HA       GLU   3   2.158   2.257  -6.955
   19    HB2  GLU   3           HB2      GLU   3   0.748   0.212  -7.030
   20    HB3  GLU   3           HB3      GLU   3  -0.556   1.193  -7.709
   21    HG2  GLU   3           HG2      GLU   3   0.869   1.781  -9.647
   22    HG3  GLU   3           HG3      GLU   3   2.205   0.859  -8.954
   23    H    TYR   4           H        TYR   4   2.536   4.097  -8.076
   24    HA   TYR   4           HA       TYR   4   0.282   5.943  -8.705
   25    HD1  TYR   4           HD1      TYR   4   0.054   7.387  -6.739
   26    HD2  TYR   4           HD2      TYR   4   2.797   9.149  -9.560
   27    HE1  TYR   4           HE1      TYR   4  -1.118   9.555  -6.517
   28    HE2  TYR   4           HE2      TYR   4   1.629  11.319  -9.358
   29    HH   TYR   4           HH       TYR   4  -1.215  11.781  -7.198
   30    HB2  TYR   4           HB2      TYR   4   2.614   6.496  -7.359
   31    HB3  TYR   4           HB3      TYR   4   3.016   6.890  -9.035
   32    H    HIS   5           H        HIS   5   1.001   7.342 -10.649
   33    HA   HIS   5           HA       HIS   5   1.528   5.521 -12.960
   34    HD1  HIS   5           HD1      HIS   5   0.351   7.285 -16.143
   35    HD2  HIS   5           HD2      HIS   5  -1.512   4.720 -13.346
   36    HE1  HIS   5           HE1      HIS   5  -0.832   5.458 -17.499
   37    HE2  HIS   5           HE2      HIS   5  -1.966   3.903 -15.796
   38    HB2  HIS   5           HB2      HIS   5  -0.655   7.234 -12.498
   39    HB3  HIS   5           HB3      HIS   5   0.336   8.135 -13.619
   40    H    ALA   6           H        ALA   6   1.790   8.991 -12.095
   41    HA   ALA   6           HA       ALA   6   4.303   9.277 -13.609
   42    HB1  ALA   6           HB3      ALA   6   2.612  11.325 -12.090
   43    HB2  ALA   6           HB1      ALA   6   3.989  11.683 -13.150
   44    HB3  ALA   6           HB2      ALA   6   2.510  10.983 -13.838
   45    H    HIS   7           H        HIS   7   4.917   7.558 -11.848
   46    HA   HIS   7           HA       HIS   7   5.653   8.221  -9.288
   47    HD1  HIS   7           HD1      HIS   7   8.001   7.288 -12.696
   48    HD2  HIS   7           HD2      HIS   7   5.276   4.255 -11.574
   49    HE1  HIS   7           HE1      HIS   7   7.529   5.911 -14.800
   50    HE2  HIS   7           HE2      HIS   7   5.914   4.037 -14.106
   51    HB2  HIS   7           HB2      HIS   7   7.491   6.431  -9.767
   52    HB3  HIS   7           HB3      HIS   7   5.814   5.996  -9.683
   53    HA   PRO   8           HA       PRO   8   9.030  10.992  -9.507
   54    HB2  PRO   8           HB2      PRO   8  10.647  10.179  -7.429
   55    HB3  PRO   8           HB3      PRO   8   9.061  10.983  -7.212
   56    HG2  PRO   8           HG2      PRO   8   9.764   8.034  -7.115
   57    HG3  PRO   8           HG3      PRO   8   8.735   8.966  -5.977
   58    HD2  PRO   8           HD2      PRO   8   7.688   7.460  -7.985
   59    HD3  PRO   8           HD3      PRO   8   6.941   9.002  -7.507
   60    H    LYS   9           H        LYS   9  11.152  11.363 -10.075
   61    HA   LYS   9           HA       LYS   9  12.406   9.291 -11.727
   62    HB2  LYS   9           HB2      LYS   9  12.550  12.309 -11.388
   63    HB3  LYS   9           HB3      LYS   9  13.680  11.443 -12.400
   64    HG2  LYS   9           HG2      LYS   9  11.744  10.542 -13.754
   65    HG3  LYS   9           HG3      LYS   9  10.653  11.505 -12.748
   66    HD2  LYS   9           HD2      LYS   9  10.994  12.780 -14.717
   67    HD3  LYS   9           HD3      LYS   9  11.951  13.571 -13.455
   68    HE2  LYS   9           HE2      LYS   9  13.969  12.245 -14.330
   69    HE3  LYS   9           HE3      LYS   9  12.946  11.717 -15.675
   70    HZ1  LYS   9           HZ3      LYS   9  14.229  13.631 -16.295
   71    HZ2  LYS   9           HZ1      LYS   9  13.706  14.491 -15.005
   72    HZ3  LYS   9           HZ2      LYS   9  12.662  14.098 -16.219
   73    HA   HYP  10           HA       HYP  10  15.920   9.075  -8.934
   74    HG   HYP  10           HG       HYP  10  17.133   9.213 -12.581
   75    HB2  HYP  10           HB2      HYP  10  17.958   8.295 -10.520
   76    HB3  HYP  10           HB3      HYP  10  16.494   7.302 -10.314
   77   HD22  HYP  10          HD3       HYP  10  14.333   8.178 -12.207
   78   HD23  HYP  10          HD2       HYP  10  14.918   9.756 -12.812
   79    HD1  HYP  10           HOD      HYP  10  16.408   7.455 -13.794
   80    H    ASN  11           H        ASN  11  18.423  10.090 -10.959
   81    HA   ASN  11           HA       ASN  11  18.841  12.418  -9.318
   82    HB2  ASN  11           HB2      ASN  11  21.026  12.417 -10.158
   83    HB3  ASN  11           HB3      ASN  11  20.592  10.743  -9.865
   84   HD21  ASN  11          1HD2      ASN  11  22.369  12.524 -11.932
   85   HD22  ASN  11          2HD2      ASN  11  22.133  11.625 -13.427
   86    H    SER  12           H        SER  12  16.629  12.970 -10.778
   87    HA   SER  12           HA       SER  12  17.056  14.233 -13.269
   88    HG   SER  12           HG       SER  12  14.778  16.032 -13.258
   89    HB2  SER  12           HB2      SER  12  14.887  13.364 -12.267
   90    HB3  SER  12           HB3      SER  12  14.829  14.829 -11.282
   91    H    DPN  13           H        DPN  13  17.604  15.354 -10.072
   92    HA   DPN  13           HA       DPN  13  18.542  17.177  -9.151
   93    HD1  DPN  13           HD1      DPN  13  17.238  19.178  -7.552
   94    HD2  DPN  13           HD2      DPN  13  14.723  17.299 -10.511
   95    HE1  DPN  13           HE1      DPN  13  15.470  18.850  -5.843
   96    HE2  DPN  13           HE2      DPN  13  12.958  16.967  -8.798
   97    HZ   DPN  13           HZ       DPN  13  13.328  17.743  -6.462
   98    HB2  DPN  13           HB2      DPN  13  16.748  18.537 -11.179
   99    HB3  DPN  13           HB3      DPN  13  17.717  19.377 -10.004
  100    H    TRP  14           H        TRP  14  19.642  16.080 -11.862
  101    HA   TRP  14           HA       TRP  14  21.921  17.936 -12.030
  102    HD1  TRP  14           HD1      TRP  14  20.801  14.983 -10.033
  103    HE1  TRP  14           HE1      TRP  14  22.370  14.435  -8.098
  104    HE3  TRP  14           HE3      TRP  14  25.221  16.022 -12.324
  105    HZ2  TRP  14           HZ2      TRP  14  25.241  14.435  -7.603
  106    HZ3  TRP  14           HZ3      TRP  14  27.382  15.757 -11.105
  107    HH2  TRP  14           HH2      TRP  14  27.395  14.962  -8.747
  108    HB2  TRP  14           HB2      TRP  14  21.458  15.044 -12.881
  109    HB3  TRP  14           HB3      TRP  14  22.947  15.944 -13.146
  110    H    THR  15           H        THR  15  19.045  17.658 -13.664
  111    HA   THR  15           HA       THR  15  19.937  17.716 -16.406
  112    HB   THR  15           HB       THR  15  17.637  18.733 -16.800
  113    HG1  THR  15           HG1      THR  15  17.127  17.891 -14.133
  114   HG21  THR  15          3HG2      THR  15  16.487  16.571 -16.433
  115   HG22  THR  15          1HG2      THR  15  17.847  16.015 -15.428
  116   HG23  THR  15          2HG2      THR  15  18.091  16.365 -17.150
  Start of MODEL    2
    1    HA   ASP   1           HA       ASP   1   1.646   0.618  -0.213
    2    H1   ASP   1           H1       ASP   1   0.970  -1.624  -0.438
    3    H2   ASP   1           H2       ASP   1   2.530  -1.613   0.103
    4    H3   ASP   1           H3       ASP   1   2.191  -1.973  -1.468
    5    HB2  ASP   1           HB2      ASP   1   3.985  -0.218  -1.971
    6    HB3  ASP   1           HB3      ASP   1   3.528   1.461  -1.658
    7    H    TRP   2           H        TRP   2   0.762   2.187  -1.633
    8    HA   TRP   2           HA       TRP   2  -0.706   1.101  -3.926
    9    HD1  TRP   2           HD1      TRP   2  -3.738   1.845  -3.420
   10    HE1  TRP   2           HE1      TRP   2  -5.160   2.737  -5.340
   11    HE3  TRP   2           HE3      TRP   2  -0.431   5.239  -5.327
   12    HZ2  TRP   2           HZ2      TRP   2  -4.909   4.745  -7.446
   13    HZ3  TRP   2           HZ3      TRP   2  -1.067   6.658  -7.277
   14    HH2  TRP   2           HH2      TRP   2  -3.310   6.398  -8.332
   15    HB2  TRP   2           HB2      TRP   2  -1.610   2.739  -2.184
   16    HB3  TRP   2           HB3      TRP   2  -0.623   3.969  -2.958
   17    H    GLU   3           H        GLU   3   0.366   0.857  -5.779
   18    HA   GLU   3           HA       GLU   3   2.886   2.119  -6.338
   19    HB2  GLU   3           HB2      GLU   3   2.317  -0.168  -7.018
   20    HB3  GLU   3           HB3      GLU   3   1.084   0.476  -8.108
   21    HG2  GLU   3           HG2      GLU   3   2.823   1.636  -9.423
   22    HG3  GLU   3           HG3      GLU   3   4.062   1.105  -8.282
   23    H    TYR   4           H        TYR   4   3.247   4.057  -7.328
   24    HA   TYR   4           HA       TYR   4   0.982   5.692  -8.125
   25    HD1  TYR   4           HD2      TYR   4   1.138   7.107  -5.921
   26    HD2  TYR   4           HD1      TYR   4   3.156   8.914  -9.273
   27    HE1  TYR   4           HE2      TYR   4  -0.063   9.234  -5.493
   28    HE2  TYR   4           HE1      TYR   4   1.963  11.039  -8.864
   29    HH   TYR   4           HH       TYR   4   0.417  12.163  -7.533
   30    HB2  TYR   4           HB2      TYR   4   3.438   6.245  -7.005
   31    HB3  TYR   4           HB3      TYR   4   3.648   6.698  -8.701
   32    H    HIS   5           H        HIS   5   1.450   7.130 -10.080
   33    HA   HIS   5           HA       HIS   5   1.778   5.384 -12.485
   34    HD1  HIS   5           HD1      HIS   5   0.229   7.211 -15.475
   35    HD2  HIS   5           HD2      HIS   5  -1.255   4.491 -12.598
   36    HE1  HIS   5           HE1      HIS   5  -1.026   5.388 -16.770
   37    HE2  HIS   5           HE2      HIS   5  -1.928   3.738 -15.019
   38    HB2  HIS   5           HB2      HIS   5  -0.396   7.004 -11.750
   39    HB3  HIS   5           HB3      HIS   5   0.440   7.978 -12.934
   40    H    ALA   6           H        ALA   6   2.016   8.847 -11.600
   41    HA   ALA   6           HA       ALA   6   4.354   9.215 -13.364
   42    HB1  ALA   6           HB3      ALA   6   2.725  11.220 -11.723
   43    HB2  ALA   6           HB1      ALA   6   3.978  11.615 -12.916
   44    HB3  ALA   6           HB2      ALA   6   2.472  10.839 -13.447
   45    H    HIS   7           H        HIS   7   5.212   7.562 -11.641
   46    HA   HIS   7           HA       HIS   7   6.160   8.347  -9.182
   47    HD1  HIS   7           HD1      HIS   7   8.169   7.270 -12.784
   48    HD2  HIS   7           HD2      HIS   7   5.601   4.308 -11.199
   49    HE1  HIS   7           HE1      HIS   7   7.447   5.797 -14.749
   50    HE2  HIS   7           HE2      HIS   7   5.933   3.963 -13.775
   51    HB2  HIS   7           HB2      HIS   7   8.014   6.596  -9.787
   52    HB3  HIS   7           HB3      HIS   7   6.374   6.123  -9.471
   53    HA   PRO   8           HA       PRO   8   9.344  11.248  -9.843
   54    HB2  PRO   8           HB2      PRO   8  11.139  10.681  -7.840
   55    HB3  PRO   8           HB3      PRO   8   9.505  11.353  -7.543
   56    HG2  PRO   8           HG2      PRO   8  10.464   8.479  -7.389
   57    HG3  PRO   8           HG3      PRO   8   9.460   9.378  -6.202
   58    HD2  PRO   8           HD2      PRO   8   8.374   7.716  -8.061
   59    HD3  PRO   8           HD3      PRO   8   7.550   9.219  -7.577
   60    H    LYS   9           H        LYS   9  11.494  11.699 -10.472
   61    HA   LYS   9           HA       LYS   9  12.790   9.579 -12.051
   62    HB2  LYS   9           HB2      LYS   9  12.682  12.593 -11.994
   63    HB3  LYS   9           HB3      LYS   9  14.126  11.850 -12.627
   64    HG2  LYS   9           HG2      LYS   9  12.623  12.364 -14.441
   65    HG3  LYS   9           HG3      LYS   9  12.829  10.614 -14.310
   66    HD2  LYS   9           HD2      LYS   9  10.608  10.383 -13.280
   67    HD3  LYS   9           HD3      LYS   9  10.454  12.138 -13.153
   68    HE2  LYS   9           HE2      LYS   9   9.117  11.386 -15.008
   69    HE3  LYS   9           HE3      LYS   9  10.470  12.338 -15.623
   70    HZ1  LYS   9           HZ3      LYS   9  10.334   9.378 -15.616
   71    HZ2  LYS   9           HZ1      LYS   9  11.571  10.270 -16.226
   72    HZ3  LYS   9           HZ2      LYS   9  10.095  10.337 -16.916
   73    HA   HYP  10           HA       HYP  10  16.079   9.193  -9.164
   74    HG   HYP  10           HG       HYP  10  17.507   9.286 -12.781
   75    HB2  HYP  10           HB2      HYP  10  18.204   8.402 -10.666
   76    HB3  HYP  10           HB3      HYP  10  16.713   7.445 -10.512
   77   HD22  HYP  10          HD3       HYP  10  14.635   8.490 -12.513
   78   HD23  HYP  10          HD2       HYP  10  15.369  10.022 -13.073
   79    HD1  HYP  10           HOD      HYP  10  17.707   7.072 -13.128
   80    H    ASN  11           H        ASN  11  18.437  10.340 -11.493
   81    HA   ASN  11           HA       ASN  11  19.352  12.368  -9.644
   82    HB2  ASN  11           HB2      ASN  11  21.274  12.502 -10.984
   83    HB3  ASN  11           HB3      ASN  11  20.864  10.802 -10.845
   84   HD21  ASN  11          1HD2      ASN  11  22.297  12.688 -12.967
   85   HD22  ASN  11          2HD2      ASN  11  21.624  12.108 -14.488
   86    H    SER  12           H        SER  12  16.897  13.138 -10.377
   87    HA   SER  12           HA       SER  12  16.625  14.710 -12.695
   88    HG   SER  12           HG       SER  12  14.180  15.298 -12.703
   89    HB2  SER  12           HB2      SER  12  14.821  13.760 -11.157
   90    HB3  SER  12           HB3      SER  12  15.185  15.070 -10.030
   91    H    DPN  13           H        DPN  13  17.967  15.458  -9.613
   92    HA   DPN  13           HA       DPN  13  19.133  17.144  -8.692
   93    HD1  DPN  13           HD1      DPN  13  18.118  18.855  -6.686
   94    HD2  DPN  13           HD2      DPN  13  15.136  17.605  -9.544
   95    HE1  DPN  13           HE1      DPN  13  16.555  18.331  -4.831
   96    HE2  DPN  13           HE2      DPN  13  13.581  17.075  -7.686
   97    HZ   DPN  13           HZ       DPN  13  14.284  17.441  -5.326
   98    HB2  DPN  13           HB2      DPN  13  17.144  18.783 -10.283
   99    HB3  DPN  13           HB3      DPN  13  18.289  19.436  -9.146
  100    H    TRP  14           H        TRP  14  19.687  16.353 -11.709
  101    HA   TRP  14           HA       TRP  14  22.016  18.143 -11.995
  102    HD1  TRP  14           HD1      TRP  14  21.034  14.886 -10.150
  103    HE1  TRP  14           HE1      TRP  14  22.765  14.262  -8.381
  104    HE3  TRP  14           HE3      TRP  14  25.209  16.483 -12.580
  105    HZ2  TRP  14           HZ2      TRP  14  25.657  14.429  -8.064
  106    HZ3  TRP  14           HZ3      TRP  14  27.459  16.257 -11.529
  107    HH2  TRP  14           HH2      TRP  14  27.687  15.228  -9.274
  108    HB2  TRP  14           HB2      TRP  14  21.401  15.311 -12.944
  109    HB3  TRP  14           HB3      TRP  14  22.873  16.203 -13.307
  110    H    THR  15           H        THR  15  18.971  17.852 -13.342
  111    HA   THR  15           HA       THR  15  19.866  19.001 -15.933
  112    HB   THR  15           HB       THR  15  17.862  17.726 -16.937
  113    HG1  THR  15           HG1      THR  15  17.281  15.839 -15.926
  114   HG21  THR  15          3HG2      THR  15  19.243  15.775 -17.449
  115   HG22  THR  15          1HG2      THR  15  20.313  16.124 -16.074
  116   HG23  THR  15          2HG2      THR  15  20.236  17.237 -17.456
  Start of MODEL    3
    1    HA   ASP   1           HA       ASP   1   0.652  -0.530  -0.654
    2    H1   ASP   1           H1       ASP   1   2.335  -2.386  -2.173
    3    H2   ASP   1           H2       ASP   1   0.855  -2.694  -1.551
    4    H3   ASP   1           H3       ASP   1   2.134  -2.440  -0.538
    5    HB2  ASP   1           HB2      ASP   1   3.493  -0.157  -1.680
    6    HB3  ASP   1           HB3      ASP   1   2.435   1.170  -1.186
    7    H    TRP   2           H        TRP   2  -0.058   1.323  -1.947
    8    HA   TRP   2           HA       TRP   2  -0.791   0.591  -4.672
    9    HD1  TRP   2           HD1      TRP   2  -3.892   1.131  -4.967
   10    HE1  TRP   2           HE1      TRP   2  -4.825   2.386  -6.984
   11    HE3  TRP   2           HE3      TRP   2  -0.532   4.960  -5.112
   12    HZ2  TRP   2           HZ2      TRP   2  -4.208   4.833  -8.467
   13    HZ3  TRP   2           HZ3      TRP   2  -0.754   6.778  -6.810
   14    HH2  TRP   2           HH2      TRP   2  -2.595   6.696  -8.491
   15    HB2  TRP   2           HB2      TRP   2  -2.257   1.808  -3.017
   16    HB3  TRP   2           HB3      TRP   2  -1.225   3.215  -3.228
   17    H    GLU   3           H        GLU   3   0.722   0.674  -6.194
   18    HA   GLU   3           HA       GLU   3   3.057   2.385  -6.014
   19    HB2  GLU   3           HB2      GLU   3   2.534  -0.046  -7.193
   20    HB3  GLU   3           HB3      GLU   3   2.497   1.024  -8.591
   21    HG2  GLU   3           HG2      GLU   3   4.761   0.833  -6.546
   22    HG3  GLU   3           HG3      GLU   3   4.724  -0.019  -8.083
   23    H    TYR   4           H        TYR   4   3.557   4.133  -7.458
   24    HA   TYR   4           HA       TYR   4   1.209   5.761  -8.021
   25    HD1  TYR   4           HD2      TYR   4   1.630   7.109  -5.802
   26    HD2  TYR   4           HD1      TYR   4   3.202   9.017  -9.334
   27    HE1  TYR   4           HE2      TYR   4   0.487   9.212  -5.167
   28    HE2  TYR   4           HE1      TYR   4   2.057  11.122  -8.719
   29    HH   TYR   4           HH       TYR   4   0.059  11.429  -5.740
   30    HB2  TYR   4           HB2      TYR   4   3.783   6.302  -7.178
   31    HB3  TYR   4           HB3      TYR   4   3.786   6.784  -8.874
   32    H    HIS   5           H        HIS   5   1.457   7.179 -10.015
   33    HA   HIS   5           HA       HIS   5   1.542   5.431 -12.435
   34    HD1  HIS   5           HD1      HIS   5  -0.038   7.407 -15.312
   35    HD2  HIS   5           HD2      HIS   5  -1.558   4.768 -12.380
   36    HE1  HIS   5           HE1      HIS   5  -1.501   5.702 -16.549
   37    HE2  HIS   5           HE2      HIS   5  -2.425   4.101 -14.764
   38    HB2  HIS   5           HB2      HIS   5  -0.460   7.187 -11.555
   39    HB3  HIS   5           HB3      HIS   5   0.361   8.125 -12.778
   40    H    ALA   6           H        ALA   6   2.072   8.868 -11.592
   41    HA   ALA   6           HA       ALA   6   4.375   9.020 -13.457
   42    HB1  ALA   6           HB3      ALA   6   4.085  11.459 -13.203
   43    HB2  ALA   6           HB1      ALA   6   2.549  10.696 -13.671
   44    HB3  ALA   6           HB2      ALA   6   2.823  11.204 -11.982
   45    H    HIS   7           H        HIS   7   5.220   7.496 -11.614
   46    HA   HIS   7           HA       HIS   7   6.213   8.508  -9.249
   47    HD1  HIS   7           HD1      HIS   7   8.067   6.781 -12.761
   48    HD2  HIS   7           HD2      HIS   7   5.307   4.381 -10.643
   49    HE1  HIS   7           HE1      HIS   7   7.059   5.148 -14.458
   50    HE2  HIS   7           HE2      HIS   7   5.432   3.646 -13.150
   51    HB2  HIS   7           HB2      HIS   7   8.023   6.634  -9.729
   52    HB3  HIS   7           HB3      HIS   7   6.389   6.288  -9.237
   53    HA   PRO   8           HA       PRO   8   9.346  11.311 -10.238
   54    HB2  PRO   8           HB2      PRO   8  11.193  10.979  -8.232
   55    HB3  PRO   8           HB3      PRO   8   9.538  11.614  -7.957
   56    HG2  PRO   8           HG2      PRO   8  10.599   8.796  -7.591
   57    HG3  PRO   8           HG3      PRO   8   9.600   9.763  -6.453
   58    HD2  PRO   8           HD2      PRO   8   8.513   7.928  -8.128
   59    HD3  PRO   8           HD3      PRO   8   7.660   9.449  -7.762
   60    H    LYS   9           H        LYS   9  11.480  11.793 -10.854
   61    HA   LYS   9           HA       LYS   9  12.874   9.717 -12.389
   62    HB2  LYS   9           HB2      LYS   9  12.832  12.720 -12.125
   63    HB3  LYS   9           HB3      LYS   9  14.298  11.988 -12.723
   64    HG2  LYS   9           HG2      LYS   9  12.949  12.728 -14.554
   65    HG3  LYS   9           HG3      LYS   9  13.112  10.981 -14.618
   66    HD2  LYS   9           HD2      LYS   9  10.651  12.227 -13.340
   67    HD3  LYS   9           HD3      LYS   9  10.812  12.181 -15.099
   68    HE2  LYS   9           HE2      LYS   9  11.103   9.747 -15.076
   69    HE3  LYS   9           HE3      LYS   9  10.965   9.714 -13.312
   70    HZ1  LYS   9           HZ3      LYS   9   8.717  10.383 -13.459
   71    HZ2  LYS   9           HZ1      LYS   9   8.901   9.175 -14.534
   72    HZ3  LYS   9           HZ2      LYS   9   8.814  10.715 -15.074
   73    HA   HYP  10           HA       HYP  10  15.989   9.121  -9.324
   74    HG   HYP  10           HG       HYP  10  17.619   9.390 -12.827
   75    HB2  HYP  10           HB2      HYP  10  18.186   8.378 -10.742
   76    HB3  HYP  10           HB3      HYP  10  16.681   7.431 -10.719
   77   HD22  HYP  10          HD3       HYP  10  14.728   8.612 -12.796
   78   HD23  HYP  10          HD2       HYP  10  15.515  10.162 -13.216
   79    HD1  HYP  10           HOD      HYP  10  16.257   6.885 -12.922
   80    H    ASN  11           H        ASN  11  18.515  10.333 -11.421
   81    HA   ASN  11           HA       ASN  11  19.255  12.336  -9.455
   82    HB2  ASN  11           HB2      ASN  11  21.310  12.464 -10.584
   83    HB3  ASN  11           HB3      ASN  11  20.885  10.767 -10.491
   84   HD21  ASN  11          1HD2      ASN  11  22.429  12.803 -12.478
   85   HD22  ASN  11          2HD2      ASN  11  21.968  12.151 -14.048
   86    H    SER  12           H        SER  12  16.920  13.132 -10.319
   87    HA   SER  12           HA       SER  12  16.698  14.599 -12.695
   88    HG   SER  12           HG       SER  12  13.485  15.533 -11.490
   89    HB2  SER  12           HB2      SER  12  14.895  13.761 -11.087
   90    HB3  SER  12           HB3      SER  12  15.258  15.159 -10.071
   91    H    DPN  13           H        DPN  13  17.975  15.526  -9.628
   92    HA   DPN  13           HA       DPN  13  19.115  17.264  -8.764
   93    HD1  DPN  13           HD1      DPN  13  17.995  18.927  -6.898
   94    HD2  DPN  13           HD2      DPN  13  15.125  17.787  -9.912
   95    HE1  DPN  13           HE1      DPN  13  16.314  18.474  -5.130
   96    HE2  DPN  13           HE2      DPN  13  13.450  17.330  -8.140
   97    HZ   DPN  13           HZ       DPN  13  14.038  17.676  -5.746
   98    HB2  DPN  13           HB2      DPN  13  17.223  18.804 -10.559
   99    HB3  DPN  13           HB3      DPN  13  18.288  19.518  -9.381
  100    H    TRP  14           H        TRP  14  19.803  16.293 -11.694
  101    HA   TRP  14           HA       TRP  14  22.142  18.054 -12.033
  102    HD1  TRP  14           HD1      TRP  14  21.168  14.977 -10.149
  103    HE1  TRP  14           HE1      TRP  14  22.973  14.213  -8.515
  104    HE3  TRP  14           HE3      TRP  14  25.253  16.078 -12.967
  105    HZ2  TRP  14           HZ2      TRP  14  25.885  14.087  -8.446
  106    HZ3  TRP  14           HZ3      TRP  14  27.555  15.647 -12.103
  107    HH2  TRP  14           HH2      TRP  14  27.872  14.649  -9.845
  108    HB2  TRP  14           HB2      TRP  14  21.404  15.272 -13.039
  109    HB3  TRP  14           HB3      TRP  14  22.883  16.131 -13.455
  110    H    THR  15           H        THR  15  19.045  18.017 -13.229
  111    HA   THR  15           HA       THR  15  19.764  19.429 -15.663
  112    HB   THR  15           HB       THR  15  19.945  17.066 -16.289
  113    HG1  THR  15           HG1      THR  15  18.838  17.232 -18.161
  114   HG21  THR  15          3HG2      THR  15  16.979  16.774 -15.691
  115   HG22  THR  15          1HG2      THR  15  18.319  15.983 -14.838
  116   HG23  THR  15          2HG2      THR  15  18.009  15.598 -16.532
  Start of MODEL    4
    1    HA   ASP   1           HA       ASP   1   0.287  -1.085  -0.977
    2    H1   ASP   1           H1       ASP   1  -1.032  -2.837  -1.833
    3    H2   ASP   1           H2       ASP   1   0.386  -3.485  -1.291
    4    H3   ASP   1           H3       ASP   1   0.120  -3.287  -2.904
    5    HB2  ASP   1           HB2      ASP   1   2.418  -2.157  -2.868
    6    HB3  ASP   1           HB3      ASP   1   2.480  -0.569  -2.095
    7    H    TRP   2           H        TRP   2  -0.174   0.943  -1.851
    8    HA   TRP   2           HA       TRP   2  -1.459   0.941  -4.491
    9    HD1  TRP   2           HD1      TRP   2  -4.430   1.914  -3.800
   10    HE1  TRP   2           HE1      TRP   2  -5.575   3.456  -5.475
   11    HE3  TRP   2           HE3      TRP   2  -0.570   5.190  -4.644
   12    HZ2  TRP   2           HZ2      TRP   2  -4.902   5.835  -7.013
   13    HZ3  TRP   2           HZ3      TRP   2  -0.870   7.079  -6.222
   14    HH2  TRP   2           HH2      TRP   2  -3.038   7.398  -7.407
   15    HB2  TRP   2           HB2      TRP   2  -2.311   2.086  -2.335
   16    HB3  TRP   2           HB3      TRP   2  -1.123   3.333  -2.659
   17    H    GLU   3           H        GLU   3   0.127   0.740  -6.029
   18    HA   GLU   3           HA       GLU   3   2.660   2.143  -5.877
   19    HB2  GLU   3           HB2      GLU   3   2.348  -0.127  -6.837
   20    HB3  GLU   3           HB3      GLU   3   1.440   0.608  -8.163
   21    HG2  GLU   3           HG2      GLU   3   3.436   1.885  -8.848
   22    HG3  GLU   3           HG3      GLU   3   4.324   1.288  -7.445
   23    H    TYR   4           H        TYR   4   3.277   3.989  -7.035
   24    HA   TYR   4           HA       TYR   4   1.156   5.781  -7.890
   25    HD1  TYR   4           HD2      TYR   4   1.501   7.279  -5.712
   26    HD2  TYR   4           HD1      TYR   4   3.549   8.731  -9.213
   27    HE1  TYR   4           HE2      TYR   4   0.495   9.517  -5.365
   28    HE2  TYR   4           HE1      TYR   4   2.547  10.970  -8.888
   29    HH   TYR   4           HH       TYR   4   0.315  11.701  -6.158
   30    HB2  TYR   4           HB2      TYR   4   3.655   6.157  -6.801
   31    HB3  TYR   4           HB3      TYR   4   3.900   6.523  -8.512
   32    H    HIS   5           H        HIS   5   1.761   7.111  -9.914
   33    HA   HIS   5           HA       HIS   5   1.995   5.254 -12.249
   34    HD1  HIS   5           HD1      HIS   5   0.365   6.993 -15.282
   35    HD2  HIS   5           HD2      HIS   5  -0.991   4.306 -12.312
   36    HE1  HIS   5           HE1      HIS   5  -0.869   5.109 -16.507
   37    HE2  HIS   5           HE2      HIS   5  -1.694   3.479 -14.700
   38    HB2  HIS   5           HB2      HIS   5  -0.187   6.874 -11.548
   39    HB3  HIS   5           HB3      HIS   5   0.624   7.822 -12.765
   40    H    ALA   6           H        ALA   6   2.205   8.754 -11.523
   41    HA   ALA   6           HA       ALA   6   4.499   9.064 -13.357
   42    HB1  ALA   6           HB3      ALA   6   4.088  11.480 -13.032
   43    HB2  ALA   6           HB1      ALA   6   2.587  10.648 -13.487
   44    HB3  ALA   6           HB2      ALA   6   2.868  11.128 -11.792
   45    H    HIS   7           H        HIS   7   5.426   7.523 -11.570
   46    HA   HIS   7           HA       HIS   7   6.332   8.419  -9.145
   47    HD1  HIS   7           HD1      HIS   7   8.419   7.275 -12.672
   48    HD2  HIS   7           HD2      HIS   7   5.922   4.287 -11.025
   49    HE1  HIS   7           HE1      HIS   7   7.748   5.733 -14.603
   50    HE2  HIS   7           HE2      HIS   7   6.286   3.880 -13.587
   51    HB2  HIS   7           HB2      HIS   7   8.233   6.690  -9.653
   52    HB3  HIS   7           HB3      HIS   7   6.598   6.189  -9.355
   53    HA   PRO   8           HA       PRO   8   9.518  11.332  -9.846
   54    HB2  PRO   8           HB2      PRO   8  11.213  10.896  -7.734
   55    HB3  PRO   8           HB3      PRO   8   9.553  11.545  -7.542
   56    HG2  PRO   8           HG2      PRO   8  10.557   8.699  -7.218
   57    HG3  PRO   8           HG3      PRO   8   9.493   9.632  -6.112
   58    HD2  PRO   8           HD2      PRO   8   8.513   7.872  -7.943
   59    HD3  PRO   8           HD3      PRO   8   7.642   9.374  -7.545
   60    H    LYS   9           H        LYS   9  11.761  11.734 -10.324
   61    HA   LYS   9           HA       LYS   9  13.042   9.514 -11.786
   62    HB2  LYS   9           HB2      LYS   9  12.927  12.536 -11.957
   63    HB3  LYS   9           HB3      LYS   9  14.289  11.702 -12.639
   64    HG2  LYS   9           HG2      LYS   9  12.691  12.102 -14.384
   65    HG3  LYS   9           HG3      LYS   9  12.789  10.362 -14.101
   66    HD2  LYS   9           HD2      LYS   9  10.670  10.402 -12.865
   67    HD3  LYS   9           HD3      LYS   9  10.612  12.178 -12.967
   68    HE2  LYS   9           HE2      LYS   9  10.487  11.987 -15.456
   69    HE3  LYS   9           HE3      LYS   9  10.518  10.223 -15.310
   70    HZ1  LYS   9           HZ3      LYS   9   8.270  11.002 -15.533
   71    HZ2  LYS   9           HZ1      LYS   9   8.410  12.012 -14.256
   72    HZ3  LYS   9           HZ2      LYS   9   8.447  10.392 -14.021
   73    HA   HYP  10           HA       HYP  10  16.354   9.462  -8.907
   74    HG   HYP  10           HG       HYP  10  17.779   9.309 -12.505
   75    HB2  HYP  10           HB2      HYP  10  18.491   8.584 -10.337
   76    HB3  HYP  10           HB3      HYP  10  17.014   7.619 -10.112
   77   HD22  HYP  10          HD3       HYP  10  14.928   8.430 -12.159
   78   HD23  HYP  10          HD2       HYP  10  15.602   9.926 -12.871
   79    HD1  HYP  10           HOD      HYP  10  17.026   7.482 -13.584
   80    H    ASN  11           H        ASN  11  18.748  10.437 -11.261
   81    HA   ASN  11           HA       ASN  11  19.547  12.661  -9.592
   82    HB2  ASN  11           HB2      ASN  11  21.524  12.692 -10.856
   83    HB3  ASN  11           HB3      ASN  11  21.130  11.006 -10.574
   84   HD21  ASN  11          1HD2      ASN  11  22.590  12.761 -12.816
   85   HD22  ASN  11          2HD2      ASN  11  22.004  12.007 -14.296
   86    H    SER  12           H        SER  12  17.109  13.290 -10.504
   87    HA   SER  12           HA       SER  12  16.900  14.595 -12.986
   88    HG   SER  12           HG       SER  12  13.607  15.448 -11.963
   89    HB2  SER  12           HB2      SER  12  15.071  13.764 -11.412
   90    HB3  SER  12           HB3      SER  12  15.332  15.225 -10.453
   91    H    DPN  13           H        DPN  13  18.041  15.715  -9.931
   92    HA   DPN  13           HA       DPN  13  19.101  17.528  -9.128
   93    HD1  DPN  13           HD1      DPN  13  15.179  17.700 -10.207
   94    HD2  DPN  13           HD2      DPN  13  17.949  19.473  -7.413
   95    HE1  DPN  13           HE1      DPN  13  13.574  17.300  -8.358
   96    HE2  DPN  13           HE2      DPN  13  16.333  19.085  -5.571
   97    HZ   DPN  13           HZ       DPN  13  14.143  17.998  -6.037
   98    HB2  DPN  13           HB2      DPN  13  17.162  18.903 -11.008
   99    HB3  DPN  13           HB3      DPN  13  18.226  19.730  -9.905
  100    H    TRP  14           H        TRP  14  19.912  16.422 -11.964
  101    HA   TRP  14           HA       TRP  14  22.223  18.222 -12.289
  102    HD1  TRP  14           HD1      TRP  14  21.181  15.208 -10.283
  103    HE1  TRP  14           HE1      TRP  14  22.877  14.601  -8.477
  104    HE3  TRP  14           HE3      TRP  14  25.438  16.305 -12.842
  105    HZ2  TRP  14           HZ2      TRP  14  25.776  14.581  -8.182
  106    HZ3  TRP  14           HZ3      TRP  14  27.676  15.999 -11.783
  107    HH2  TRP  14           HH2      TRP  14  27.848  15.135  -9.456
  108    HB2  TRP  14           HB2      TRP  14  21.622  15.361 -13.154
  109    HB3  TRP  14           HB3      TRP  14  23.105  16.235 -13.514
  110    H    THR  15           H        THR  15  19.204  18.086 -13.642
  111    HA   THR  15           HA       THR  15  20.059  19.297 -16.138
  112    HB   THR  15           HB       THR  15  20.204  16.836 -16.511
  113    HG1  THR  15           HG1      THR  15  19.898  18.048 -18.291
  114   HG21  THR  15          3HG2      THR  15  18.192  15.474 -16.801
  115   HG22  THR  15          1HG2      THR  15  17.190  16.780 -16.135
  116   HG23  THR  15          2HG2      THR  15  18.410  15.981 -15.123
  Start of MODEL    5
    1    HA   ASP   1           HA       ASP   1   0.894  -0.157  -0.380
    2    H1   ASP   1           H1       ASP   1   1.317  -2.721  -1.743
    3    H2   ASP   1           H2       ASP   1  -0.045  -2.264  -0.965
    4    H3   ASP   1           H3       ASP   1   1.337  -2.508  -0.112
    5    HB2  ASP   1           HB2      ASP   1   3.229  -0.846  -0.181
    6    HB3  ASP   1           HB3      ASP   1   3.313  -1.171  -1.919
    7    H    TRP   2           H        TRP   2   0.074   1.476  -1.664
    8    HA   TRP   2           HA       TRP   2  -1.005   0.702  -4.265
    9    HD1  TRP   2           HD1      TRP   2  -4.106   1.348  -4.051
   10    HE1  TRP   2           HE1      TRP   2  -5.298   2.446  -6.021
   11    HE3  TRP   2           HE3      TRP   2  -0.668   4.979  -5.126
   12    HZ2  TRP   2           HZ2      TRP   2  -4.833   4.683  -7.838
   13    HZ3  TRP   2           HZ3      TRP   2  -1.090   6.599  -6.969
   14    HH2  TRP   2           HH2      TRP   2  -3.176   6.440  -8.323
   15    HB2  TRP   2           HB2      TRP   2  -2.169   2.094  -2.469
   16    HB3  TRP   2           HB3      TRP   2  -1.131   3.427  -2.949
   17    H    GLU   3           H        GLU   3   0.396   0.609  -5.918
   18    HA   GLU   3           HA       GLU   3   2.847   2.115  -6.019
   19    HB2  GLU   3           HB2      GLU   3   2.579  -0.185  -6.871
   20    HB3  GLU   3           HB3      GLU   3   1.506   0.435  -8.129
   21    HG2  GLU   3           HG2      GLU   3   3.349   1.784  -9.065
   22    HG3  GLU   3           HG3      GLU   3   4.409   1.281  -7.745
   23    H    TYR   4           H        TYR   4   3.266   4.030  -7.085
   24    HA   TYR   4           HA       TYR   4   1.007   5.628  -7.941
   25    HD1  TYR   4           HD2      TYR   4   1.100   7.080  -5.786
   26    HD2  TYR   4           HD1      TYR   4   3.213   8.854  -9.098
   27    HE1  TYR   4           HE2      TYR   4  -0.108   9.212  -5.411
   28    HE2  TYR   4           HE1      TYR   4   2.012  10.984  -8.742
   29    HH   TYR   4           HH       TYR   4   0.432  12.122  -7.463
   30    HB2  TYR   4           HB2      TYR   4   3.444   6.214  -6.804
   31    HB3  TYR   4           HB3      TYR   4   3.674   6.642  -8.505
   32    H    HIS   5           H        HIS   5   1.484   7.065  -9.904
   33    HA   HIS   5           HA       HIS   5   1.818   5.301 -12.294
   34    HD1  HIS   5           HD1      HIS   5   0.263   7.048 -15.296
   35    HD2  HIS   5           HD2      HIS   5  -1.240   4.402 -12.361
   36    HE1  HIS   5           HE1      HIS   5  -0.998   5.202 -16.551
   37    HE2  HIS   5           HE2      HIS   5  -1.913   3.597 -14.765
   38    HB2  HIS   5           HB2      HIS   5  -0.363   6.915 -11.561
   39    HB3  HIS   5           HB3      HIS   5   0.459   7.876 -12.765
   40    H    ALA   6           H        ALA   6   2.040   8.770 -11.426
   41    HA   ALA   6           HA       ALA   6   4.335   9.156 -13.238
   42    HB1  ALA   6           HB3      ALA   6   2.436  10.760 -13.281
   43    HB2  ALA   6           HB1      ALA   6   2.724  11.147 -11.564
   44    HB3  ALA   6           HB2      ALA   6   3.944  11.554 -12.786
   45    H    HIS   7           H        HIS   7   5.251   7.515 -11.533
   46    HA   HIS   7           HA       HIS   7   6.227   8.304  -9.092
   47    HD1  HIS   7           HD1      HIS   7   8.213   7.263 -12.718
   48    HD2  HIS   7           HD2      HIS   7   5.698   4.263 -11.119
   49    HE1  HIS   7           HE1      HIS   7   7.473   5.800 -14.684
   50    HE2  HIS   7           HE2      HIS   7   5.997   3.940 -13.701
   51    HB2  HIS   7           HB2      HIS   7   8.094   6.576  -9.724
   52    HB3  HIS   7           HB3      HIS   7   6.462   6.083  -9.395
   53    HA   PRO   8           HA       PRO   8   9.401  11.225  -9.770
   54    HB2  PRO   8           HB2      PRO   8  11.181  10.682  -7.751
   55    HB3  PRO   8           HB3      PRO   8   9.535  11.330  -7.462
   56    HG2  PRO   8           HG2      PRO   8  10.528   8.467  -7.313
   57    HG3  PRO   8           HG3      PRO   8   9.517   9.353  -6.123
   58    HD2  PRO   8           HD2      PRO   8   8.448   7.688  -7.988
   59    HD3  PRO   8           HD3      PRO   8   7.608   9.179  -7.495
   60    H    LYS   9           H        LYS   9  11.618  11.656 -10.324
   61    HA   LYS   9           HA       LYS   9  12.836   9.521 -11.953
   62    HB2  LYS   9           HB2      LYS   9  12.729  12.549 -11.938
   63    HB3  LYS   9           HB3      LYS   9  14.073  11.758 -12.705
   64    HG2  LYS   9           HG2      LYS   9  12.430  12.257 -14.380
   65    HG3  LYS   9           HG3      LYS   9  12.541  10.503 -14.202
   66    HD2  LYS   9           HD2      LYS   9  10.453  10.463 -12.910
   67    HD3  LYS   9           HD3      LYS   9  10.384  12.242 -12.917
   68    HE2  LYS   9           HE2      LYS   9  10.208  12.185 -15.409
   69    HE3  LYS   9           HE3      LYS   9  10.254  10.415 -15.361
   70    HZ1  LYS   9           HZ3      LYS   9   8.205  10.490 -14.037
   71    HZ2  LYS   9           HZ1      LYS   9   7.998  11.195 -15.503
   72    HZ3  LYS   9           HZ2      LYS   9   8.153  12.123 -14.166
   73    HA   HYP  10           HA       HYP  10  16.282   9.292  -9.230
   74    HG   HYP  10           HG       HYP  10  17.541   9.375 -12.888
   75    HB2  HYP  10           HB2      HYP  10  18.339   8.487 -10.802
   76    HB3  HYP  10           HB3      HYP  10  16.857   7.522 -10.585
   77   HD22  HYP  10          HD3       HYP  10  14.710   8.468 -12.485
   78   HD23  HYP  10          HD2       HYP  10  15.355  10.011 -13.119
   79    HD1  HYP  10           HOD      HYP  10  17.807   7.168 -13.244
   80    H    ASN  11           H        ASN  11  18.646  10.366 -11.547
   81    HA   ASN  11           HA       ASN  11  19.471  12.470  -9.757
   82    HB2  ASN  11           HB2      ASN  11  21.447  12.548 -11.015
   83    HB3  ASN  11           HB3      ASN  11  21.019  10.856 -10.843
   84   HD21  ASN  11          1HD2      ASN  11  22.516  12.729 -12.970
   85   HD22  ASN  11          2HD2      ASN  11  21.914  12.085 -14.495
   86    H    SER  12           H        SER  12  17.027  13.184 -10.717
   87    HA   SER  12           HA       SER  12  16.985  14.738 -13.069
   88    HG   SER  12           HG       SER  12  14.539  15.229 -13.366
   89    HB2  SER  12           HB2      SER  12  15.045  13.743 -11.732
   90    HB3  SER  12           HB3      SER  12  15.236  15.078 -10.592
   91    H    DPN  13           H        DPN  13  18.026  15.490  -9.880
   92    HA   DPN  13           HA       DPN  13  19.099  17.183  -8.870
   93    HD1  DPN  13           HD1      DPN  13  18.010  19.079  -6.947
   94    HD2  DPN  13           HD2      DPN  13  15.189  17.469  -9.789
   95    HE1  DPN  13           HE1      DPN  13  16.421  18.598  -5.103
   96    HE2  DPN  13           HE2      DPN  13  13.609  16.982  -7.939
   97    HZ   DPN  13           HZ       DPN  13  14.220  17.545  -5.593
   98    HB2  DPN  13           HB2      DPN  13  17.144  18.787 -10.540
   99    HB3  DPN  13           HB3      DPN  13  18.253  19.482  -9.398
  100    H    TRP  14           H        TRP  14  19.887  16.398 -11.813
  101    HA   TRP  14           HA       TRP  14  22.180  18.244 -11.969
  102    HD1  TRP  14           HD1      TRP  14  21.146  15.010 -10.212
  103    HE1  TRP  14           HE1      TRP  14  22.805  14.311  -8.403
  104    HE3  TRP  14           HE3      TRP  14  25.438  16.486 -12.509
  105    HZ2  TRP  14           HZ2      TRP  14  25.692  14.373  -8.005
  106    HZ3  TRP  14           HZ3      TRP  14  27.651  16.169 -11.401
  107    HH2  TRP  14           HH2      TRP  14  27.780  15.111  -9.153
  108    HB2  TRP  14           HB2      TRP  14  21.652  15.430 -13.021
  109    HB3  TRP  14           HB3      TRP  14  23.129  16.349 -13.284
  110    H    THR  15           H        THR  15  19.212  17.862 -13.469
  111    HA   THR  15           HA       THR  15  20.135  19.158 -15.972
  112    HB   THR  15           HB       THR  15  18.353  17.692 -17.143
  113    HG1  THR  15           HG1      THR  15  17.943  15.717 -16.220
  114   HG21  THR  15          3HG2      THR  15  20.914  16.343 -16.183
  115   HG22  THR  15          1HG2      THR  15  20.798  17.508 -17.519
  116   HG23  THR  15          2HG2      THR  15  19.974  15.948 -17.638
  Start of MODEL    6
    1    HA   ASP   1           HA       ASP   1   0.124  -0.613  -0.743
    2    H1   ASP   1           H1       ASP   1   0.746  -3.054  -2.248
    3    H2   ASP   1           H2       ASP   1  -0.716  -2.650  -1.641
    4    H3   ASP   1           H3       ASP   1   0.526  -2.983  -0.619
    5    HB2  ASP   1           HB2      ASP   1   2.404  -1.340  -0.264
    6    HB3  ASP   1           HB3      ASP   1   2.744  -1.520  -1.992
    7    H    TRP   2           H        TRP   2  -0.510   1.129  -1.985
    8    HA   TRP   2           HA       TRP   2  -1.180   0.600  -4.780
    9    HD1  TRP   2           HD1      TRP   2  -4.257   1.257  -5.058
   10    HE1  TRP   2           HE1      TRP   2  -5.103   2.580  -7.068
   11    HE3  TRP   2           HE3      TRP   2  -0.731   4.950  -5.098
   12    HZ2  TRP   2           HZ2      TRP   2  -4.355   5.009  -8.511
   13    HZ3  TRP   2           HZ3      TRP   2  -0.847   6.784  -6.782
   14    HH2  TRP   2           HH2      TRP   2  -2.662   6.799  -8.492
   15    HB2  TRP   2           HB2      TRP   2  -2.628   1.816  -3.083
   16    HB3  TRP   2           HB3      TRP   2  -1.532   3.180  -3.239
   17    H    GLU   3           H        GLU   3   0.451   0.639  -6.201
   18    HA   GLU   3           HA       GLU   3   2.840   2.240  -5.858
   19    HB2  GLU   3           HB2      GLU   3   2.811  -0.035  -6.833
   20    HB3  GLU   3           HB3      GLU   3   1.903   0.603  -8.208
   21    HG2  GLU   3           HG2      GLU   3   3.797   2.068  -8.804
   22    HG3  GLU   3           HG3      GLU   3   4.672   1.554  -7.360
   23    H    TYR   4           H        TYR   4   3.378   4.153  -6.952
   24    HA   TYR   4           HA       TYR   4   1.179   5.776  -7.868
   25    HD1  TYR   4           HD2      TYR   4   1.361   7.251  -5.678
   26    HD2  TYR   4           HD1      TYR   4   3.415   8.924  -9.079
   27    HE1  TYR   4           HE2      TYR   4   0.214   9.413  -5.300
   28    HE2  TYR   4           HE1      TYR   4   2.271  11.088  -8.720
   29    HH   TYR   4           HH       TYR   4  -0.070  11.606  -6.034
   30    HB2  TYR   4           HB2      TYR   4   3.635   6.306  -6.738
   31    HB3  TYR   4           HB3      TYR   4   3.866   6.721  -8.442
   32    H    HIS   5           H        HIS   5   1.665   7.178  -9.829
   33    HA   HIS   5           HA       HIS   5   1.935   5.388 -12.208
   34    HD1  HIS   5           HD1      HIS   5   0.294   7.130 -15.192
   35    HD2  HIS   5           HD2      HIS   5  -1.103   4.499 -12.191
   36    HE1  HIS   5           HE1      HIS   5  -1.004   5.273 -16.393
   37    HE2  HIS   5           HE2      HIS   5  -1.854   3.677 -14.567
   38    HB2  HIS   5           HB2      HIS   5  -0.216   7.031 -11.445
   39    HB3  HIS   5           HB3      HIS   5   0.588   7.970 -12.678
   40    H    ALA   6           H        ALA   6   2.197   8.873 -11.405
   41    HA   ALA   6           HA       ALA   6   4.510   9.174 -13.223
   42    HB1  ALA   6           HB3      ALA   6   4.125  11.592 -12.881
   43    HB2  ALA   6           HB1      ALA   6   2.619  10.785 -13.365
   44    HB3  ALA   6           HB2      ALA   6   2.883  11.244 -11.662
   45    H    HIS   7           H        HIS   7   5.394   7.603 -11.436
   46    HA   HIS   7           HA       HIS   7   6.309   8.512  -9.007
   47    HD1  HIS   7           HD1      HIS   7   8.345   7.190 -12.525
   48    HD2  HIS   7           HD2      HIS   7   5.702   4.390 -10.777
   49    HE1  HIS   7           HE1      HIS   7   7.564   5.642 -14.408
   50    HE2  HIS   7           HE2      HIS   7   6.014   3.899 -13.331
   51    HB2  HIS   7           HB2      HIS   7   8.166   6.720  -9.500
   52    HB3  HIS   7           HB3      HIS   7   6.523   6.277  -9.157
   53    HA   PRO   8           HA       PRO   8   9.543  11.342  -9.795
   54    HB2  PRO   8           HB2      PRO   8  11.261  10.916  -7.698
   55    HB3  PRO   8           HB3      PRO   8   9.614  11.595  -7.496
   56    HG2  PRO   8           HG2      PRO   8  10.577   8.740  -7.135
   57    HG3  PRO   8           HG3      PRO   8   9.542   9.708  -6.033
   58    HD2  PRO   8           HD2      PRO   8   8.512   7.932  -7.818
   59    HD3  PRO   8           HD3      PRO   8   7.669   9.455  -7.437
   60    H    LYS   9           H        LYS   9  11.771  11.710 -10.323
   61    HA   LYS   9           HA       LYS   9  13.016   9.451 -11.753
   62    HB2  LYS   9           HB2      LYS   9  12.951  12.470 -11.954
   63    HB3  LYS   9           HB3      LYS   9  14.319  11.617 -12.606
   64    HG2  LYS   9           HG2      LYS   9  12.749  12.014 -14.379
   65    HG3  LYS   9           HG3      LYS   9  12.831  10.276 -14.077
   66    HD2  LYS   9           HD2      LYS   9  10.692  10.348 -12.868
   67    HD3  LYS   9           HD3      LYS   9  10.649  12.122 -13.001
   68    HE2  LYS   9           HE2      LYS   9  10.570  11.898 -15.486
   69    HE3  LYS   9           HE3      LYS   9  10.588  10.136 -15.318
   70    HZ1  LYS   9           HZ3      LYS   9   8.351  10.935 -15.601
   71    HZ2  LYS   9           HZ1      LYS   9   8.468  11.946 -14.323
   72    HZ3  LYS   9           HZ2      LYS   9   8.489  10.324 -14.087
   73    HA   HYP  10           HA       HYP  10  16.309   9.319  -8.864
   74    HG   HYP  10           HG       HYP  10  17.731   9.101 -12.476
   75    HB2  HYP  10           HB2      HYP  10  18.438   8.407 -10.295
   76    HB3  HYP  10           HB3      HYP  10  16.951   7.464 -10.051
   77   HD22  HYP  10          HD3       HYP  10  14.863   8.318 -12.118
   78   HD23  HYP  10          HD2       HYP  10  15.586   9.790 -12.832
   79    HD1  HYP  10           HOD      HYP  10  17.941   6.865 -12.628
   80    H    ASN  11           H        ASN  11  18.661  10.271 -11.288
   81    HA   ASN  11           HA       ASN  11  19.570  12.463  -9.624
   82    HB2  ASN  11           HB2      ASN  11  21.488  12.487 -10.978
   83    HB3  ASN  11           HB3      ASN  11  21.090  10.803 -10.696
   84   HD21  ASN  11          1HD2      ASN  11  22.469  12.560 -12.984
   85   HD22  ASN  11          2HD2      ASN  11  21.804  11.832 -14.444
   86    H    SER  12           H        SER  12  17.102  13.126 -10.415
   87    HA   SER  12           HA       SER  12  16.777  14.461 -12.867
   88    HG   SER  12           HG       SER  12  13.564  15.358 -11.651
   89    HB2  SER  12           HB2      SER  12  15.027  13.645 -11.192
   90    HB3  SER  12           HB3      SER  12  15.369  15.097 -10.244
   91    H    DPN  13           H        DPN  13  18.076  15.539  -9.860
   92    HA   DPN  13           HA       DPN  13  19.187  17.334  -9.083
   93    HD1  DPN  13           HD1      DPN  13  18.041  19.025  -7.280
   94    HD2  DPN  13           HD2      DPN  13  15.187  17.727 -10.244
   95    HE1  DPN  13           HE1      DPN  13  16.383  18.572  -5.490
   96    HE2  DPN  13           HE2      DPN  13  13.537  17.269  -8.451
   97    HZ   DPN  13           HZ       DPN  13  14.127  17.696  -6.070
   98    HB2  DPN  13           HB2      DPN  13  17.259  18.761 -10.933
   99    HB3  DPN  13           HB3      DPN  13  18.314  19.542  -9.787
  100    H    TRP  14           H        TRP  14  19.854  16.259 -11.997
  101    HA   TRP  14           HA       TRP  14  22.171  18.040 -12.402
  102    HD1  TRP  14           HD1      TRP  14  21.212  14.966 -10.372
  103    HE1  TRP  14           HE1      TRP  14  22.982  14.390  -8.627
  104    HE3  TRP  14           HE3      TRP  14  25.350  16.228 -13.047
  105    HZ2  TRP  14           HZ2      TRP  14  25.889  14.460  -8.421
  106    HZ3  TRP  14           HZ3      TRP  14  27.629  15.982 -12.061
  107    HH2  TRP  14           HH2      TRP  14  27.901  15.096  -9.752
  108    HB2  TRP  14           HB2      TRP  14  21.526  15.178 -13.230
  109    HB3  TRP  14           HB3      TRP  14  22.994  16.047 -13.660
  110    H    THR  15           H        THR  15  19.100  17.847 -13.639
  111    HA   THR  15           HA       THR  15  19.605  17.965 -16.474
  112    HB   THR  15           HB       THR  15  17.297  19.061 -16.494
  113    HG1  THR  15           HG1      THR  15  17.138  18.092 -13.828
  114   HG21  THR  15          3HG2      THR  15  17.633  16.704 -17.010
  115   HG22  THR  15          1HG2      THR  15  16.155  16.907 -16.059
  116   HG23  THR  15          2HG2      THR  15  17.631  16.279 -15.287
  Start of MODEL    7
    1    HA   ASP   1           HA       ASP   1  -0.091  -0.374  -0.347
    2    H1   ASP   1           H1       ASP   1   0.442  -2.535  -1.251
    3    H2   ASP   1           H2       ASP   1   1.326  -2.222   0.101
    4    H3   ASP   1           H3       ASP   1   2.019  -2.116  -1.387
    5    HB2  ASP   1           HB2      ASP   1   1.520   1.408  -0.365
    6    HB3  ASP   1           HB3      ASP   1   2.201   0.075   0.567
    7    H    TRP   2           H        TRP   2  -0.548   1.497  -1.808
    8    HA   TRP   2           HA       TRP   2  -0.951   0.557  -4.548
    9    HD1  TRP   2           HD1      TRP   2  -3.975   0.867  -5.250
   10    HE1  TRP   2           HE1      TRP   2  -4.733   1.940  -7.438
   11    HE3  TRP   2           HE3      TRP   2  -0.886   4.912  -5.225
   12    HZ2  TRP   2           HZ2      TRP   2  -4.105   4.349  -8.981
   13    HZ3  TRP   2           HZ3      TRP   2  -1.027   6.631  -7.037
   14    HH2  TRP   2           HH2      TRP   2  -2.635   6.326  -8.919
   15    HB2  TRP   2           HB2      TRP   2  -2.650   1.790  -3.154
   16    HB3  TRP   2           HB3      TRP   2  -1.668   3.236  -3.347
   17    H    GLU   3           H        GLU   3   0.741   0.594  -5.870
   18    HA   GLU   3           HA       GLU   3   2.982   2.390  -5.618
   19    HB2  GLU   3           HB2      GLU   3   3.147   0.078  -6.458
   20    HB3  GLU   3           HB3      GLU   3   2.188   0.547  -7.866
   21    HG2  GLU   3           HG2      GLU   3   3.952   2.121  -8.572
   22    HG3  GLU   3           HG3      GLU   3   4.873   1.773  -7.106
   23    H    TYR   4           H        TYR   4   3.393   4.286  -6.786
   24    HA   TYR   4           HA       TYR   4   1.083   5.696  -7.732
   25    HD1  TYR   4           HD2      TYR   4   1.094   7.217  -5.650
   26    HD2  TYR   4           HD1      TYR   4   3.131   9.007  -9.003
   27    HE1  TYR   4           HE2      TYR   4  -0.213   9.295  -5.327
   28    HE2  TYR   4           HE1      TYR   4   1.824  11.086  -8.699
   29    HH   TYR   4           HH       TYR   4  -0.627  11.457  -6.089
   30    HB2  TYR   4           HB2      TYR   4   3.497   6.449  -6.646
   31    HB3  TYR   4           HB3      TYR   4   3.682   6.832  -8.364
   32    H    HIS   5           H        HIS   5   1.427   7.103  -9.718
   33    HA   HIS   5           HA       HIS   5   1.700   5.288 -12.070
   34    HD1  HIS   5           HD1      HIS   5  -0.001   6.932 -15.053
   35    HD2  HIS   5           HD2      HIS   5  -1.363   4.442 -11.919
   36    HE1  HIS   5           HE1      HIS   5  -1.363   5.055 -16.148
   37    HE2  HIS   5           HE2      HIS   5  -2.191   3.545 -14.241
   38    HB2  HIS   5           HB2      HIS   5  -0.414   6.977 -11.293
   39    HB3  HIS   5           HB3      HIS   5   0.369   7.863 -12.581
   40    H    ALA   6           H        ALA   6   2.030   8.768 -11.305
   41    HA   ALA   6           HA       ALA   6   4.255   9.101 -13.210
   42    HB1  ALA   6           HB3      ALA   6   2.399  10.742 -13.214
   43    HB2  ALA   6           HB1      ALA   6   2.719  11.125 -11.503
   44    HB3  ALA   6           HB2      ALA   6   3.929  11.507 -12.743
   45    H    HIS   7           H        HIS   7   5.248   7.482 -11.645
   46    HA   HIS   7           HA       HIS   7   6.259   7.996  -9.180
   47    HD1  HIS   7           HD1      HIS   7   5.593   5.183 -12.460
   48    HD2  HIS   7           HD2      HIS   7   9.336   7.149 -12.372
   49    HE1  HIS   7           HE1      HIS   7   6.484   5.161 -14.850
   50    HE2  HIS   7           HE2      HIS   7   8.787   6.304 -14.792
   51    HB2  HIS   7           HB2      HIS   7   8.175   6.486  -9.972
   52    HB3  HIS   7           HB3      HIS   7   6.576   5.843  -9.940
   53    HA   PRO   8           HA       PRO   8   9.435  11.061  -9.441
   54    HB2  PRO   8           HB2      PRO   8  11.271  10.139  -7.609
   55    HB3  PRO   8           HB3      PRO   8   9.679  10.830  -7.161
   56    HG2  PRO   8           HG2      PRO   8  10.516   7.927  -7.445
   57    HG3  PRO   8           HG3      PRO   8   9.580   8.685  -6.113
   58    HD2  PRO   8           HD2      PRO   8   8.378   7.340  -8.149
   59    HD3  PRO   8           HD3      PRO   8   7.632   8.788  -7.437
   60    H    LYS   9           H        LYS   9  11.600  11.505 -10.085
   61    HA   LYS   9           HA       LYS   9  12.785   9.507 -11.919
   62    HB2  LYS   9           HB2      LYS   9  12.638  12.514 -11.707
   63    HB3  LYS   9           HB3      LYS   9  14.072  11.829 -12.413
   64    HG2  LYS   9           HG2      LYS   9  12.533  12.383 -14.165
   65    HG3  LYS   9           HG3      LYS   9  12.735  10.631 -14.110
   66    HD2  LYS   9           HD2      LYS   9  10.571  10.384 -12.955
   67    HD3  LYS   9           HD3      LYS   9  10.359  12.137 -12.905
   68    HE2  LYS   9           HE2      LYS   9  10.594  10.454 -15.447
   69    HE3  LYS   9           HE3      LYS   9   9.066  10.940 -14.707
   70    HZ1  LYS   9           HZ3      LYS   9  11.087  12.801 -15.800
   71    HZ2  LYS   9           HZ1      LYS   9   9.682  13.250 -15.080
   72    HZ3  LYS   9           HZ2      LYS   9   9.656  12.420 -16.486
   73    HA   HYP  10           HA       HYP  10  16.227   9.027  -9.218
   74    HG   HYP  10           HG       HYP  10  17.501   9.417 -12.842
   75    HB2  HYP  10           HB2      HYP  10  18.270   8.318 -10.846
   76    HB3  HYP  10           HB3      HYP  10  16.769   7.366 -10.727
   77   HD22  HYP  10          HD3       HYP  10  14.658   8.505 -12.552
   78   HD23  HYP  10          HD2       HYP  10  15.324  10.095 -13.031
   79    HD1  HYP  10           HOD      HYP  10  17.751   7.253 -13.405
   80    H    ASN  11           H        ASN  11  18.673  10.218 -11.354
   81    HA   ASN  11           HA       ASN  11  19.362  12.316  -9.477
   82    HB2  ASN  11           HB2      ASN  11  21.433  12.404 -10.592
   83    HB3  ASN  11           HB3      ASN  11  21.017  10.713 -10.407
   84   HD21  ASN  11          1HD2      ASN  11  22.550  12.664 -12.499
   85   HD22  ASN  11          2HD2      ASN  11  22.115  11.911 -14.031
   86    H    SER  12           H        SER  12  17.036  13.055 -10.423
   87    HA   SER  12           HA       SER  12  16.851  14.421 -12.861
   88    HG   SER  12           HG       SER  12  13.612  15.382 -11.757
   89    HB2  SER  12           HB2      SER  12  15.024  13.642 -11.248
   90    HB3  SER  12           HB3      SER  12  15.362  15.086 -10.290
   91    H    DPN  13           H        DPN  13  18.068  15.481  -9.813
   92    HA   DPN  13           HA       DPN  13  19.182  17.262  -9.004
   93    HD1  DPN  13           HD1      DPN  13  17.996  18.953  -7.237
   94    HD2  DPN  13           HD2      DPN  13  15.214  17.753 -10.310
   95    HE1  DPN  13           HE1      DPN  13  16.254  18.562  -5.513
   96    HE2  DPN  13           HE2      DPN  13  13.478  17.360  -8.582
   97    HZ   DPN  13           HZ       DPN  13  13.993  17.766  -6.180
   98    HB2  DPN  13           HB2      DPN  13  17.340  18.714 -10.919
   99    HB3  DPN  13           HB3      DPN  13  18.363  19.481  -9.737
  100    H    TRP  14           H        TRP  14  19.908  16.183 -11.916
  101    HA   TRP  14           HA       TRP  14  22.256  17.933 -12.266
  102    HD1  TRP  14           HD1      TRP  14  21.275  14.911 -10.276
  103    HE1  TRP  14           HE1      TRP  14  23.061  14.258  -8.574
  104    HE3  TRP  14           HE3      TRP  14  25.392  16.007 -13.047
  105    HZ2  TRP  14           HZ2      TRP  14  25.973  14.211  -8.437
  106    HZ3  TRP  14           HZ3      TRP  14  27.684  15.671 -12.116
  107    HH2  TRP  14           HH2      TRP  14  27.976  14.772  -9.815
  108    HB2  TRP  14           HB2      TRP  14  21.551  15.106 -13.159
  109    HB3  TRP  14           HB3      TRP  14  23.031  15.953 -13.595
  110    H    THR  15           H        THR  15  19.189  17.824 -13.535
  111    HA   THR  15           HA       THR  15  19.725  18.035 -16.359
  112    HB   THR  15           HB       THR  15  17.433  19.174 -16.359
  113    HG1  THR  15           HG1      THR  15  17.239  18.094 -13.738
  114   HG21  THR  15          3HG2      THR  15  17.715  16.337 -15.272
  115   HG22  THR  15          1HG2      THR  15  17.737  16.836 -16.974
  116   HG23  THR  15          2HG2      THR  15  16.255  17.020 -16.026
  Start of MODEL    8
    1    HA   ASP   1           HA       ASP   1   1.720   0.207  -0.280
    2    H1   ASP   1           H1       ASP   1   2.579  -2.021  -1.977
    3    H2   ASP   1           H2       ASP   1   1.362  -2.036  -0.887
    4    H3   ASP   1           H3       ASP   1   2.925  -1.890  -0.372
    5    HB2  ASP   1           HB2      ASP   1   4.087   0.039  -2.185
    6    HB3  ASP   1           HB3      ASP   1   3.414   1.553  -1.571
    7    H    TRP   2           H        TRP   2   0.849   2.024  -1.536
    8    HA   TRP   2           HA       TRP   2  -0.813   1.154  -3.768
    9    HD1  TRP   2           HD1      TRP   2  -3.756   2.164  -3.018
   10    HE1  TRP   2           HE1      TRP   2  -5.207   3.263  -4.805
   11    HE3  TRP   2           HE3      TRP   2  -0.264   5.303  -5.044
   12    HZ2  TRP   2           HZ2      TRP   2  -4.898   5.310  -6.864
   13    HZ3  TRP   2           HZ3      TRP   2  -0.883   6.833  -6.908
   14    HH2  TRP   2           HH2      TRP   2  -3.206   6.829  -7.812
   15    HB2  TRP   2           HB2      TRP   2  -1.474   2.772  -1.915
   16    HB3  TRP   2           HB3      TRP   2  -0.438   3.963  -2.687
   17    H    GLU   3           H        GLU   3   0.110   0.897  -5.699
   18    HA   GLU   3           HA       GLU   3   2.673   2.004  -6.352
   19    HB2  GLU   3           HB2      GLU   3   1.892  -0.257  -7.013
   20    HB3  GLU   3           HB3      GLU   3   0.722   0.505  -8.088
   21    HG2  GLU   3           HG2      GLU   3   2.640  -0.244  -9.366
   22    HG3  GLU   3           HG3      GLU   3   2.575   1.510  -9.402
   23    H    TYR   4           H        TYR   4   3.182   3.754  -7.596
   24    HA   TYR   4           HA       TYR   4   1.051   5.671  -8.236
   25    HD1  TYR   4           HD1      TYR   4   1.475   7.140  -6.112
   26    HD2  TYR   4           HD2      TYR   4   3.522   8.554  -9.629
   27    HE1  TYR   4           HE1      TYR   4   0.552   9.406  -5.730
   28    HE2  TYR   4           HE2      TYR   4   2.607  10.824  -9.266
   29    HH   TYR   4           HH       TYR   4   0.441  11.604  -6.497
   30    HB2  TYR   4           HB2      TYR   4   3.601   5.967  -7.251
   31    HB3  TYR   4           HB3      TYR   4   3.794   6.325  -8.970
   32    H    HIS   5           H        HIS   5   1.643   6.995 -10.293
   33    HA   HIS   5           HA       HIS   5   1.767   5.139 -12.636
   34    HD1  HIS   5           HD1      HIS   5   0.090   6.981 -15.621
   35    HD2  HIS   5           HD2      HIS   5  -1.204   4.220 -12.692
   36    HE1  HIS   5           HE1      HIS   5  -1.181   5.135 -16.866
   37    HE2  HIS   5           HE2      HIS   5  -1.968   3.459 -15.084
   38    HB2  HIS   5           HB2      HIS   5  -0.382   6.778 -11.886
   39    HB3  HIS   5           HB3      HIS   5   0.420   7.739 -13.097
   40    H    ALA   6           H        ALA   6   2.039   8.626 -11.915
   41    HA   ALA   6           HA       ALA   6   4.268   8.931 -13.831
   42    HB1  ALA   6           HB3      ALA   6   2.351  10.502 -13.932
   43    HB2  ALA   6           HB1      ALA   6   2.656  10.998 -12.247
   44    HB3  ALA   6           HB2      ALA   6   3.851  11.350 -13.511
   45    H    HIS   7           H        HIS   7   5.296   7.442 -12.167
   46    HA   HIS   7           HA       HIS   7   6.162   8.099  -9.692
   47    HD1  HIS   7           HD1      HIS   7   5.721   5.080 -12.821
   48    HD2  HIS   7           HD2      HIS   7   9.378   7.198 -12.700
   49    HE1  HIS   7           HE1      HIS   7   6.692   4.992 -15.179
   50    HE2  HIS   7           HE2      HIS   7   8.950   6.218 -15.096
   51    HB2  HIS   7           HB2      HIS   7   8.145   6.582 -10.297
   52    HB3  HIS   7           HB3      HIS   7   6.552   5.919 -10.318
   53    HA   PRO   8           HA       PRO   8   9.352  11.167  -9.902
   54    HB2  PRO   8           HB2      PRO   8  10.973  10.412  -7.822
   55    HB3  PRO   8           HB3      PRO   8   9.331  11.089  -7.590
   56    HG2  PRO   8           HG2      PRO   8  10.244   8.194  -7.599
   57    HG3  PRO   8           HG3      PRO   8   9.169   9.011  -6.416
   58    HD2  PRO   8           HD2      PRO   8   8.204   7.519  -8.483
   59    HD3  PRO   8           HD3      PRO   8   7.360   8.979  -7.918
   60    H    LYS   9           H        LYS   9  11.660  11.525 -10.257
   61    HA   LYS   9           HA       LYS   9  12.870   9.406 -11.929
   62    HB2  LYS   9           HB2      LYS   9  12.773  12.439 -11.932
   63    HB3  LYS   9           HB3      LYS   9  14.092  11.617 -12.699
   64    HG2  LYS   9           HG2      LYS   9  12.421  12.158 -14.359
   65    HG3  LYS   9           HG3      LYS   9  12.541  10.402 -14.201
   66    HD2  LYS   9           HD2      LYS   9  10.485  10.336 -12.882
   67    HD3  LYS   9           HD3      LYS   9  10.402  12.113 -12.853
   68    HE2  LYS   9           HE2      LYS   9  10.120  12.076 -15.341
   69    HE3  LYS   9           HE3      LYS   9  10.187  10.306 -15.301
   70    HZ1  LYS   9           HZ3      LYS   9   8.124  12.012 -14.048
   71    HZ2  LYS   9           HZ1      LYS   9   8.226  10.400 -13.797
   72    HZ3  LYS   9           HZ2      LYS   9   7.916  10.987 -15.304
   73    HA   HYP  10           HA       HYP  10  16.197   9.178  -9.091
   74    HG   HYP  10           HG       HYP  10  17.577   9.154 -12.700
   75    HB2  HYP  10           HB2      HYP  10  18.303   8.317 -10.581
   76    HB3  HYP  10           HB3      HYP  10  16.809   7.374 -10.372
   77   HD22  HYP  10          HD3       HYP  10  14.713   8.325 -12.377
   78   HD23  HYP  10          HD2       HYP  10  15.423   9.834 -13.023
   79    HD1  HYP  10           HOD      HYP  10  16.272   6.625 -12.492
   80    H    ASN  11           H        ASN  11  18.583  10.201 -11.435
   81    HA   ASN  11           HA       ASN  11  19.504  12.277  -9.655
   82    HB2  ASN  11           HB2      ASN  11  21.433  12.344 -11.000
   83    HB3  ASN  11           HB3      ASN  11  20.991  10.654 -10.808
   84   HD21  ASN  11          1HD2      ASN  11  22.263  12.696 -13.040
   85   HD22  ASN  11          2HD2      ASN  11  21.620  11.995 -14.523
   86    H    SER  12           H        SER  12  17.017  13.020 -10.573
   87    HA   SER  12           HA       SER  12  17.001  14.576 -12.929
   88    HG   SER  12           HG       SER  12  14.753  16.264 -12.377
   89    HB2  SER  12           HB2      SER  12  15.063  13.538 -11.600
   90    HB3  SER  12           HB3      SER  12  15.185  14.920 -10.511
   91    H    DPN  13           H        DPN  13  18.033  15.296  -9.733
   92    HA   DPN  13           HA       DPN  13  19.094  16.984  -8.705
   93    HD1  DPN  13           HD1      DPN  13  15.169  17.288  -9.616
   94    HD2  DPN  13           HD2      DPN  13  18.001  18.802  -6.735
   95    HE1  DPN  13           HE1      DPN  13  13.594  16.744  -7.778
   96    HE2  DPN  13           HE2      DPN  13  16.418  18.267  -4.902
   97    HZ   DPN  13           HZ       DPN  13  14.212  17.236  -5.418
   98    HB2  DPN  13           HB2      DPN  13  17.126  18.605 -10.338
   99    HB3  DPN  13           HB3      DPN  13  18.237  19.278  -9.180
  100    H    TRP  14           H        TRP  14  19.881  16.206 -11.614
  101    HA   TRP  14           HA       TRP  14  22.149  18.080 -11.801
  102    HD1  TRP  14           HD1      TRP  14  21.080  14.777 -10.011
  103    HE1  TRP  14           HE1      TRP  14  22.647  14.177  -8.089
  104    HE3  TRP  14           HE3      TRP  14  25.445  16.460 -12.028
  105    HZ2  TRP  14           HZ2      TRP  14  25.490  14.390  -7.497
  106    HZ3  TRP  14           HZ3      TRP  14  27.585  16.262 -10.768
  107    HH2  TRP  14           HH2      TRP  14  27.613  15.226  -8.506
  108    HB2  TRP  14           HB2      TRP  14  21.710  15.216 -12.754
  109    HB3  TRP  14           HB3      TRP  14  23.182  16.153 -12.974
  110    H    THR  15           H        THR  15  19.233  17.491 -13.358
  111    HA   THR  15           HA       THR  15  20.089  17.825 -16.117
  112    HB   THR  15           HB       THR  15  17.322  18.140 -14.883
  113    HG1  THR  15           HG1      THR  15  17.066  15.968 -15.375
  114   HG21  THR  15          3HG2      THR  15  17.479  19.028 -17.185
  115   HG22  THR  15          1HG2      THR  15  16.531  17.536 -17.160
  116   HG23  THR  15          2HG2      THR  15  18.214  17.509 -17.740
  Start of MODEL    9
    1    HA   ASP   1           HA       ASP   1   0.538   0.697   0.076
    2    H1   ASP   1           H1       ASP   1  -0.809  -1.903  -0.016
    3    H2   ASP   1           H2       ASP   1  -1.363  -0.541   0.696
    4    H3   ASP   1           H3       ASP   1  -0.033  -1.305   1.309
    5    HB2  ASP   1           HB2      ASP   1   1.540  -1.954  -1.032
    6    HB3  ASP   1           HB3      ASP   1   2.245  -0.384  -1.430
    7    H    TRP   2           H        TRP   2   0.837   1.631  -2.099
    8    HA   TRP   2           HA       TRP   2  -0.823   0.613  -4.291
    9    HD1  TRP   2           HD1      TRP   2  -3.909   1.138  -4.836
   10    HE1  TRP   2           HE1      TRP   2  -4.766   2.292  -6.947
   11    HE3  TRP   2           HE3      TRP   2  -0.562   4.959  -5.019
   12    HZ2  TRP   2           HZ2      TRP   2  -4.112   4.693  -8.500
   13    HZ3  TRP   2           HZ3      TRP   2  -0.733   6.723  -6.788
   14    HH2  TRP   2           HH2      TRP   2  -2.512   6.566  -8.531
   15    HB2  TRP   2           HB2      TRP   2  -2.365   1.954  -2.840
   16    HB3  TRP   2           HB3      TRP   2  -1.331   3.351  -3.102
   17    H    GLU   3           H        GLU   3   0.316   0.894  -6.113
   18    HA   GLU   3           HA       GLU   3   2.877   2.290  -5.971
   19    HB2  GLU   3           HB2      GLU   3   2.596  -0.026  -6.835
   20    HB3  GLU   3           HB3      GLU   3   1.667   0.639  -8.181
   21    HG2  GLU   3           HG2      GLU   3   3.631   1.941  -8.922
   22    HG3  GLU   3           HG3      GLU   3   4.546   1.389  -7.518
   23    H    TYR   4           H        TYR   4   3.377   4.173  -7.072
   24    HA   TYR   4           HA       TYR   4   1.206   5.827  -8.006
   25    HD1  TYR   4           HD1      TYR   4   1.455   7.357  -5.861
   26    HD2  TYR   4           HD2      TYR   4   3.510   8.875  -9.332
   27    HE1  TYR   4           HE1      TYR   4   0.369   9.559  -5.533
   28    HE2  TYR   4           HE2      TYR   4   2.428  11.079  -9.023
   29    HH   TYR   4           HH       TYR   4   0.135  11.736  -6.326
   30    HB2  TYR   4           HB2      TYR   4   3.688   6.322  -6.918
   31    HB3  TYR   4           HB3      TYR   4   3.913   6.681  -8.635
   32    H    HIS   5           H        HIS   5   1.724   7.163 -10.018
   33    HA   HIS   5           HA       HIS   5   1.961   5.305 -12.349
   34    HD1  HIS   5           HD1      HIS   5   0.290   7.020 -15.370
   35    HD2  HIS   5           HD2      HIS   5  -1.041   4.397 -12.333
   36    HE1  HIS   5           HE1      HIS   5  -0.999   5.138 -16.541
   37    HE2  HIS   5           HE2      HIS   5  -1.809   3.547 -14.692
   38    HB2  HIS   5           HB2      HIS   5  -0.189   6.963 -11.628
   39    HB3  HIS   5           HB3      HIS   5   0.615   7.881 -12.875
   40    H    ALA   6           H        ALA   6   2.227   8.802 -11.650
   41    HA   ALA   6           HA       ALA   6   4.492   9.099 -13.521
   42    HB1  ALA   6           HB3      ALA   6   2.596  10.692 -13.640
   43    HB2  ALA   6           HB1      ALA   6   2.874  11.167 -11.945
   44    HB3  ALA   6           HB2      ALA   6   4.097  11.519 -13.181
   45    H    HIS   7           H        HIS   7   5.474   7.579 -11.850
   46    HA   HIS   7           HA       HIS   7   6.350   8.213  -9.369
   47    HD1  HIS   7           HD1      HIS   7   5.895   5.238 -12.549
   48    HD2  HIS   7           HD2      HIS   7   9.576   7.309 -12.372
   49    HE1  HIS   7           HE1      HIS   7   6.890   5.156 -14.897
   50    HE2  HIS   7           HE2      HIS   7   9.162   6.356 -14.779
   51    HB2  HIS   7           HB2      HIS   7   8.319   6.687  -9.992
   52    HB3  HIS   7           HB3      HIS   7   6.723   6.034 -10.025
   53    HA   PRO   8           HA       PRO   8   9.567  11.260  -9.581
   54    HB2  PRO   8           HB2      PRO   8  11.237  10.441  -7.558
   55    HB3  PRO   8           HB3      PRO   8   9.617  11.151  -7.276
   56    HG2  PRO   8           HG2      PRO   8  10.467   8.238  -7.343
   57    HG3  PRO   8           HG3      PRO   8   9.434   9.061  -6.127
   58    HD2  PRO   8           HD2      PRO   8   8.395   7.612  -8.184
   59    HD3  PRO   8           HD3      PRO   8   7.593   9.085  -7.591
   60    H    LYS   9           H        LYS   9  11.859  11.611 -10.014
   61    HA   LYS   9           HA       LYS   9  12.991   9.505 -11.755
   62    HB2  LYS   9           HB2      LYS   9  12.914  12.536 -11.722
   63    HB3  LYS   9           HB3      LYS   9  14.202  11.720 -12.543
   64    HG2  LYS   9           HG2      LYS   9  12.478  12.285 -14.139
   65    HG3  LYS   9           HG3      LYS   9  12.591  10.527 -14.003
   66    HD2  LYS   9           HD2      LYS   9  10.586  10.460 -12.612
   67    HD3  LYS   9           HD3      LYS   9  10.516  12.237 -12.559
   68    HE2  LYS   9           HE2      LYS   9  10.144  12.232 -15.036
   69    HE3  LYS   9           HE3      LYS   9  10.196  10.461 -15.018
   70    HZ1  LYS   9           HZ3      LYS   9   8.296  10.558 -13.437
   71    HZ2  LYS   9           HZ1      LYS   9   7.933  11.159 -14.928
   72    HZ3  LYS   9           HZ2      LYS   9   8.198  12.173 -13.672
   73    HA   HYP  10           HA       HYP  10  16.450   9.257  -9.061
   74    HG   HYP  10           HG       HYP  10  17.632   9.153 -12.769
   75    HB2  HYP  10           HB2      HYP  10  18.470   8.385 -10.662
   76    HB3  HYP  10           HB3      HYP  10  16.995   7.442 -10.355
   77   HD22  HYP  10          HD3       HYP  10  14.783   8.396 -12.265
   78   HD23  HYP  10          HD2       HYP  10  15.482   9.893 -12.950
   79    HD1  HYP  10           HOD      HYP  10  17.799   6.922 -13.007
   80    H    ASN  11           H        ASN  11  18.618  10.287 -11.622
   81    HA   ASN  11           HA       ASN  11  19.692  12.395  -9.955
   82    HB2  ASN  11           HB2      ASN  11  21.476  12.470 -11.490
   83    HB3  ASN  11           HB3      ASN  11  21.085  10.774 -11.249
   84   HD21  ASN  11          1HD2      ASN  11  22.230  12.658 -13.588
   85   HD22  ASN  11          2HD2      ASN  11  21.396  12.023 -15.004
   86    H    SER  12           H        SER  12  17.141  13.090 -10.557
   87    HA   SER  12           HA       SER  12  16.695  14.609 -12.881
   88    HG   SER  12           HG       SER  12  13.576  15.462 -11.417
   89    HB2  SER  12           HB2      SER  12  15.025  13.701 -11.177
   90    HB3  SER  12           HB3      SER  12  15.455  15.064 -10.137
   91    H    DPN  13           H        DPN  13  18.123  15.443  -9.852
   92    HA   DPN  13           HA       DPN  13  19.288  17.153  -8.975
   93    HD1  DPN  13           HD1      DPN  13  18.191  18.593  -7.029
   94    HD2  DPN  13           HD2      DPN  13  15.260  17.789 -10.093
   95    HE1  DPN  13           HE1      DPN  13  16.533  17.981  -5.288
   96    HE2  DPN  13           HE2      DPN  13  13.608  17.176  -8.349
   97    HZ   DPN  13           HZ       DPN  13  14.236  17.277  -5.942
   98    HB2  DPN  13           HB2      DPN  13  17.377  18.753 -10.692
   99    HB3  DPN  13           HB3      DPN  13  18.447  19.418  -9.485
  100    H    TRP  14           H        TRP  14  19.885  16.265 -11.947
  101    HA   TRP  14           HA       TRP  14  22.220  18.048 -12.295
  102    HD1  TRP  14           HD1      TRP  14  21.165  14.766 -10.356
  103    HE1  TRP  14           HE1      TRP  14  22.801  14.265  -8.461
  104    HE3  TRP  14           HE3      TRP  14  25.429  16.500 -12.546
  105    HZ2  TRP  14           HZ2      TRP  14  25.650  14.578  -7.955
  106    HZ3  TRP  14           HZ3      TRP  14  27.603  16.403 -11.337
  107    HH2  TRP  14           HH2      TRP  14  27.720  15.442  -9.046
  108    HB2  TRP  14           HB2      TRP  14  21.653  15.160 -13.097
  109    HB3  TRP  14           HB3      TRP  14  23.133  16.047 -13.434
  110    H    THR  15           H        THR  15  19.186  17.682 -13.605
  111    HA   THR  15           HA       THR  15  19.765  17.671 -16.433
  112    HB   THR  15           HB       THR  15  17.277  18.762 -15.058
  113    HG1  THR  15           HG1      THR  15  17.407  16.775 -14.263
  114   HG21  THR  15          3HG2      THR  15  16.154  17.987 -17.129
  115   HG22  THR  15          1HG2      THR  15  17.720  17.463 -17.790
  116   HG23  THR  15          2HG2      THR  15  17.403  19.186 -17.491
  Start of MODEL   10
    1    HA   ASP   1           HA       ASP   1  -0.082  -1.201  -0.565
    2    H1   ASP   1           H1       ASP   1  -1.402  -3.606  -1.592
    3    H2   ASP   1           H2       ASP   1  -2.072  -2.533  -0.555
    4    H3   ASP   1           H3       ASP   1  -0.773  -3.425  -0.082
    5    HB2  ASP   1           HB2      ASP   1   1.724  -1.656  -2.069
    6    HB3  ASP   1           HB3      ASP   1   1.455  -3.123  -1.131
    7    H    TRP   2           H        TRP   2   0.384   0.383  -2.364
    8    HA   TRP   2           HA       TRP   2  -1.312   0.311  -4.733
    9    HD1  TRP   2           HD1      TRP   2  -4.442   1.087  -4.896
   10    HE1  TRP   2           HE1      TRP   2  -5.273   2.824  -6.571
   11    HE3  TRP   2           HE3      TRP   2  -0.845   4.638  -4.182
   12    HZ2  TRP   2           HZ2      TRP   2  -4.489   5.497  -7.463
   13    HZ3  TRP   2           HZ3      TRP   2  -0.933   6.792  -5.428
   14    HH2  TRP   2           HH2      TRP   2  -2.760   7.210  -7.075
   15    HB2  TRP   2           HB2      TRP   2  -2.796   1.182  -2.868
   16    HB3  TRP   2           HB3      TRP   2  -1.705   2.548  -2.718
   17    H    GLU   3           H        GLU   3   0.196   0.806  -6.220
   18    HA   GLU   3           HA       GLU   3   2.539   2.410  -5.519
   19    HB2  GLU   3           HB2      GLU   3   2.667   0.204  -6.661
   20    HB3  GLU   3           HB3      GLU   3   1.827   0.910  -8.033
   21    HG2  GLU   3           HG2      GLU   3   4.268   0.758  -8.395
   22    HG3  GLU   3           HG3      GLU   3   3.680   2.406  -8.505
   23    H    TYR   4           H        TYR   4   3.198   4.238  -6.802
   24    HA   TYR   4           HA       TYR   4   1.005   5.985  -7.617
   25    HD1  TYR   4           HD1      TYR   4   1.274   7.522  -5.535
   26    HD2  TYR   4           HD2      TYR   4   3.387   8.987  -8.992
   27    HE1  TYR   4           HE1      TYR   4   0.211   9.740  -5.235
   28    HE2  TYR   4           HE2      TYR   4   2.332  11.207  -8.711
   29    HH   TYR   4           HH       TYR   4   0.014  11.914  -6.048
   30    HB2  TYR   4           HB2      TYR   4   3.509   6.445  -6.575
   31    HB3  TYR   4           HB3      TYR   4   3.720   6.780  -8.299
   32    H    HIS   5           H        HIS   5   1.531   7.301  -9.659
   33    HA   HIS   5           HA       HIS   5   1.700   5.415 -11.973
   34    HD1  HIS   5           HD1      HIS   5   0.194   7.175 -15.030
   35    HD2  HIS   5           HD2      HIS   5  -1.369   4.696 -11.983
   36    HE1  HIS   5           HE1      HIS   5  -1.189   5.361 -16.200
   37    HE2  HIS   5           HE2      HIS   5  -2.140   3.857 -14.346
   38    HB2  HIS   5           HB2      HIS   5  -0.357   7.203 -11.290
   39    HB3  HIS   5           HB3      HIS   5   0.513   8.058 -12.538
   40    H    ALA   6           H        ALA   6   2.169   8.890 -11.277
   41    HA   ALA   6           HA       ALA   6   4.439   9.037 -13.164
   42    HB1  ALA   6           HB3      ALA   6   2.903  11.219 -11.665
   43    HB2  ALA   6           HB1      ALA   6   4.146  11.478 -12.905
   44    HB3  ALA   6           HB2      ALA   6   2.613  10.700 -13.346
   45    H    HIS   7           H        HIS   7   5.365   7.531 -11.426
   46    HA   HIS   7           HA       HIS   7   6.338   8.288  -9.000
   47    HD1  HIS   7           HD1      HIS   7   5.622   5.127 -11.922
   48    HD2  HIS   7           HD2      HIS   7   9.419   6.986 -12.032
   49    HE1  HIS   7           HE1      HIS   7   6.508   4.835 -14.295
   50    HE2  HIS   7           HE2      HIS   7   8.848   5.901 -14.349
   51    HB2  HIS   7           HB2      HIS   7   8.224   6.643  -9.581
   52    HB3  HIS   7           HB3      HIS   7   6.606   6.057  -9.489
   53    HA   PRO   8           HA       PRO   8   9.601  11.218  -9.570
   54    HB2  PRO   8           HB2      PRO   8  11.362  10.507  -7.581
   55    HB3  PRO   8           HB3      PRO   8   9.770  11.267  -7.270
   56    HG2  PRO   8           HG2      PRO   8  10.567   8.340  -7.169
   57    HG3  PRO   8           HG3      PRO   8   9.609   9.269  -5.968
   58    HD2  PRO   8           HD2      PRO   8   8.439   7.699  -7.859
   59    HD3  PRO   8           HD3      PRO   8   7.699   9.234  -7.345
   60    H    LYS   9           H        LYS   9  11.788  11.548 -10.196
   61    HA   LYS   9           HA       LYS   9  13.065   9.305 -11.635
   62    HB2  LYS   9           HB2      LYS   9  12.907  12.323 -11.894
   63    HB3  LYS   9           HB3      LYS   9  14.244  11.456 -12.611
   64    HG2  LYS   9           HG2      LYS   9  12.670  10.045 -13.914
   65    HG3  LYS   9           HG3      LYS   9  11.301  10.920 -13.200
   66    HD2  LYS   9           HD2      LYS   9  12.146  13.040 -14.174
   67    HD3  LYS   9           HD3      LYS   9  13.493  12.178 -14.925
   68    HE2  LYS   9           HE2      LYS   9  10.535  11.626 -15.469
   69    HE3  LYS   9           HE3      LYS   9  11.553  12.677 -16.458
   70    HZ1  LYS   9           HZ3      LYS   9  11.989   9.778 -16.066
   71    HZ2  LYS   9           HZ1      LYS   9  12.951  10.767 -16.956
   72    HZ3  LYS   9           HZ2      LYS   9  11.408  10.493 -17.412
   73    HA   HYP  10           HA       HYP  10  16.423   9.534  -8.777
   74    HG   HYP  10           HG       HYP  10  17.781   9.133 -12.378
   75    HB2  HYP  10           HB2      HYP  10  18.557   8.606 -10.182
   76    HB3  HYP  10           HB3      HYP  10  17.117   7.621  -9.841
   77   HD22  HYP  10          HD3       HYP  10  14.957   8.237 -11.942
   78   HD23  HYP  10          HD2       HYP  10  15.606   9.695 -12.748
   79    HD1  HYP  10           HOD      HYP  10  16.584   6.599 -11.842
   80    H    ASN  11           H        ASN  11  18.728  10.385 -11.265
   81    HA   ASN  11           HA       ASN  11  19.592  12.662  -9.733
   82    HB2  ASN  11           HB2      ASN  11  21.500  12.647 -11.135
   83    HB3  ASN  11           HB3      ASN  11  21.110  10.978 -10.751
   84   HD21  ASN  11          1HD2      ASN  11  22.040  13.009 -13.272
   85   HD22  ASN  11          2HD2      ASN  11  21.470  12.046 -14.632
   86    H    SER  12           H        SER  12  17.061  13.196 -10.738
   87    HA   SER  12           HA       SER  12  16.997  14.568 -13.202
   88    HG   SER  12           HG       SER  12  14.568  14.986 -13.591
   89    HB2  SER  12           HB2      SER  12  15.066  13.598 -11.853
   90    HB3  SER  12           HB3      SER  12  15.181  15.003 -10.791
   91    H    DPN  13           H        DPN  13  17.941  15.604 -10.057
   92    HA   DPN  13           HA       DPN  13  18.903  17.425  -9.163
   93    HD1  DPN  13           HD1      DPN  13  15.176  17.190  -9.794
   94    HD2  DPN  13           HD2      DPN  13  17.754  19.851  -7.582
   95    HE1  DPN  13           HE1      DPN  13  13.771  16.878  -7.773
   96    HE2  DPN  13           HE2      DPN  13  16.333  19.553  -5.572
   97    HZ   DPN  13           HZ       DPN  13  14.341  18.064  -5.660
   98    HB2  DPN  13           HB2      DPN  13  16.839  18.742 -10.949
   99    HB3  DPN  13           HB3      DPN  13  17.967  19.647  -9.992
  100    H    TRP  14           H        TRP  14  19.833  16.427 -11.998
  101    HA   TRP  14           HA       TRP  14  22.070  18.324 -12.173
  102    HD1  TRP  14           HD1      TRP  14  21.054  15.246 -10.306
  103    HE1  TRP  14           HE1      TRP  14  22.697  14.549  -8.484
  104    HE3  TRP  14           HE3      TRP  14  25.385  16.388 -12.715
  105    HZ2  TRP  14           HZ2      TRP  14  25.588  14.478  -8.120
  106    HZ3  TRP  14           HZ3      TRP  14  27.593  16.008 -11.617
  107    HH2  TRP  14           HH2      TRP  14  27.697  15.051  -9.322
  108    HB2  TRP  14           HB2      TRP  14  21.613  15.482 -13.179
  109    HB3  TRP  14           HB3      TRP  14  23.081  16.418 -13.432
  110    H    THR  15           H        THR  15  19.188  17.694 -13.799
  111    HA   THR  15           HA       THR  15  20.159  18.277 -16.509
  112    HB   THR  15           HB       THR  15  17.305  17.972 -15.492
  113    HG1  THR  15           HG1      THR  15  17.516  15.823 -16.106
  114   HG21  THR  15          3HG2      THR  15  17.469  19.017 -17.729
  115   HG22  THR  15          1HG2      THR  15  16.830  17.373 -17.860
  116   HG23  THR  15          2HG2      THR  15  18.526  17.702 -18.284
  Start of MODEL   11
    1    HA   ASP   1           HA       ASP   1  -2.093   1.805   0.010
    2    H1   ASP   1           H1       ASP   1  -0.579   3.553  -0.538
    3    H2   ASP   1           H2       ASP   1  -2.096   4.163  -0.401
    4    H3   ASP   1           H3       ASP   1  -1.421   3.940  -1.884
    5    HB2  ASP   1           HB2      ASP   1  -4.114   2.778  -0.920
    6    HB3  ASP   1           HB3      ASP   1  -3.503   2.541  -2.561
    7    H    TRP   2           H        TRP   2  -2.097   1.482  -3.434
    8    HA   TRP   2           HA       TRP   2   0.217  -0.345  -3.414
    9    HD1  TRP   2           HD1      TRP   2  -3.597   1.191  -5.061
   10    HE1  TRP   2           HE1      TRP   2  -4.111   2.518  -7.178
   11    HE3  TRP   2           HE3      TRP   2   0.544  -0.045  -7.779
   12    HZ2  TRP   2           HZ2      TRP   2  -2.832   3.025  -9.763
   13    HZ3  TRP   2           HZ3      TRP   2   0.917   0.932 -10.032
   14    HH2  TRP   2           HH2      TRP   2  -0.799   2.449 -11.034
   15    HB2  TRP   2           HB2      TRP   2  -0.402  -0.903  -5.614
   16    HB3  TRP   2           HB3      TRP   2  -1.845  -0.913  -4.640
   17    H    GLU   3           H        GLU   3   1.362   0.227  -5.810
   18    HA   GLU   3           HA       GLU   3   3.253   2.246  -5.172
   19    HB2  GLU   3           HB2      GLU   3   3.576   0.152  -6.532
   20    HB3  GLU   3           HB3      GLU   3   2.769   0.983  -7.862
   21    HG2  GLU   3           HG2      GLU   3   4.554   2.652  -7.960
   22    HG3  GLU   3           HG3      GLU   3   5.281   2.010  -6.482
   23    H    TYR   4           H        TYR   4   3.782   4.157  -6.579
   24    HA   TYR   4           HA       TYR   4   1.377   5.764  -7.068
   25    HD1  TYR   4           HD1      TYR   4   1.279   7.253  -5.206
   26    HD2  TYR   4           HD2      TYR   4   3.720   9.088  -8.252
   27    HE1  TYR   4           HE1      TYR   4   0.084   9.397  -4.870
   28    HE2  TYR   4           HE2      TYR   4   2.531  11.229  -7.933
   29    HH   TYR   4           HH       TYR   4   0.867  12.361  -6.760
   30    HB2  TYR   4           HB2      TYR   4   3.831   6.445  -6.081
   31    HB3  TYR   4           HB3      TYR   4   3.992   6.830  -7.804
   32    H    HIS   5           H        HIS   5   1.699   7.275  -9.029
   33    HA   HIS   5           HA       HIS   5   1.773   5.556 -11.470
   34    HD1  HIS   5           HD1      HIS   5   0.226   7.165 -14.309
   35    HD2  HIS   5           HD2      HIS   5  -1.583   5.002 -11.161
   36    HE1  HIS   5           HE1      HIS   5  -1.343   5.457 -15.403
   37    HE2  HIS   5           HE2      HIS   5  -2.445   4.146 -13.489
   38    HB2  HIS   5           HB2      HIS   5  -0.255   7.255 -10.501
   39    HB3  HIS   5           HB3      HIS   5   0.481   8.180 -11.788
   40    H    ALA   6           H        ALA   6   2.229   8.990 -10.527
   41    HA   ALA   6           HA       ALA   6   4.344   9.341 -12.557
   42    HB1  ALA   6           HB3      ALA   6   2.510  11.010 -12.384
   43    HB2  ALA   6           HB1      ALA   6   2.972  11.344 -10.694
   44    HB3  ALA   6           HB2      ALA   6   4.086  11.738 -12.018
   45    H    HIS   7           H        HIS   7   5.359   7.626 -10.986
   46    HA   HIS   7           HA       HIS   7   6.598   8.324  -8.635
   47    HD1  HIS   7           HD1      HIS   7   8.164   7.324 -12.466
   48    HD2  HIS   7           HD2      HIS   7   5.737   4.352 -10.688
   49    HE1  HIS   7           HE1      HIS   7   7.200   5.922 -14.379
   50    HE2  HIS   7           HE2      HIS   7   5.771   4.082 -13.294
   51    HB2  HIS   7           HB2      HIS   7   8.334   6.559  -9.490
   52    HB3  HIS   7           HB3      HIS   7   6.731   6.107  -9.005
   53    HA   PRO   8           HA       PRO   8   9.773  11.165  -9.609
   54    HB2  PRO   8           HB2      PRO   8  11.722  10.552  -7.779
   55    HB3  PRO   8           HB3      PRO   8  10.133  11.246  -7.329
   56    HG2  PRO   8           HG2      PRO   8  11.058   8.355  -7.285
   57    HG3  PRO   8           HG3      PRO   8  10.184   9.258  -6.002
   58    HD2  PRO   8           HD2      PRO   8   8.904   7.629  -7.773
   59    HD3  PRO   8           HD3      PRO   8   8.153   9.133  -7.184
   60    H    LYS   9           H        LYS   9  11.819  11.571 -10.452
   61    HA   LYS   9           HA       LYS   9  13.039   9.453 -12.078
   62    HB2  LYS   9           HB2      LYS   9  13.052  12.473 -11.891
   63    HB3  LYS   9           HB3      LYS   9  14.350  11.664 -12.748
   64    HG2  LYS   9           HG2      LYS   9  12.698  10.550 -14.234
   65    HG3  LYS   9           HG3      LYS   9  11.381  11.366 -13.367
   66    HD2  LYS   9           HD2      LYS   9  12.299  13.579 -14.056
   67    HD3  LYS   9           HD3      LYS   9  13.644  12.767 -14.861
   68    HE2  LYS   9           HE2      LYS   9  12.067  13.377 -16.554
   69    HE3  LYS   9           HE3      LYS   9  12.038  11.619 -16.391
   70    HZ1  LYS   9           HZ3      LYS   9   9.998  11.845 -15.101
   71    HZ2  LYS   9           HZ1      LYS   9   9.823  12.560 -16.557
   72    HZ3  LYS   9           HZ2      LYS   9  10.046  13.480 -15.227
   73    HA   HYP  10           HA       HYP  10  16.415   8.988  -9.288
   74    HG   HYP  10           HG       HYP  10  17.735   9.153 -12.931
   75    HB2  HYP  10           HB2      HYP  10  18.510   8.247 -10.869
   76    HB3  HYP  10           HB3      HYP  10  17.040   7.270 -10.670
   77   HD22  HYP  10          HD3       HYP  10  14.872   8.336 -12.594
   78   HD23  HYP  10          HD2       HYP  10  15.589   9.872 -13.163
   79    HD1  HYP  10           HOD      HYP  10  16.413   6.628 -12.800
   80    H    ASN  11           H        ASN  11  18.684  10.208 -11.677
   81    HA   ASN  11           HA       ASN  11  19.639  12.223  -9.825
   82    HB2  ASN  11           HB2      ASN  11  21.504  12.419 -11.225
   83    HB3  ASN  11           HB3      ASN  11  21.135  10.709 -11.110
   84   HD21  ASN  11          1HD2      ASN  11  22.292  12.876 -13.254
   85   HD22  ASN  11          2HD2      ASN  11  21.646  12.221 -14.756
   86    H    SER  12           H        SER  12  17.145  12.957 -10.411
   87    HA   SER  12           HA       SER  12  16.717  14.434 -12.764
   88    HG   SER  12           HG       SER  12  14.533  16.085 -11.916
   89    HB2  SER  12           HB2      SER  12  15.071  13.419 -11.062
   90    HB3  SER  12           HB3      SER  12  15.332  14.863 -10.091
   91    H    DPN  13           H        DPN  13  18.179  15.328  -9.779
   92    HA   DPN  13           HA       DPN  13  19.323  17.097  -8.984
   93    HD1  DPN  13           HD1      DPN  13  18.447  18.751  -6.929
   94    HD2  DPN  13           HD2      DPN  13  15.219  17.347  -9.425
   95    HE1  DPN  13           HE1      DPN  13  17.124  18.187  -4.907
   96    HE2  DPN  13           HE2      DPN  13  13.904  16.779  -7.400
   97    HZ   DPN  13           HZ       DPN  13  14.851  17.199  -5.137
   98    HB2  DPN  13           HB2      DPN  13  17.087  18.571 -10.403
   99    HB3  DPN  13           HB3      DPN  13  18.292  19.328  -9.402
  100    H    TRP  14           H        TRP  14  19.676  16.277 -12.011
  101    HA   TRP  14           HA       TRP  14  21.899  18.125 -12.497
  102    HD1  TRP  14           HD1      TRP  14  21.288  15.018 -10.708
  103    HE1  TRP  14           HE1      TRP  14  23.325  14.174  -9.428
  104    HE3  TRP  14           HE3      TRP  14  24.865  16.199 -14.120
  105    HZ2  TRP  14           HZ2      TRP  14  26.205  14.019  -9.847
  106    HZ3  TRP  14           HZ3      TRP  14  27.272  15.714 -13.666
  107    HH2  TRP  14           HH2      TRP  14  27.943  14.623 -11.532
  108    HB2  TRP  14           HB2      TRP  14  21.080  15.421 -13.632
  109    HB3  TRP  14           HB3      TRP  14  22.470  16.349 -14.186
  110    H    THR  15           H        THR  15  18.685  18.249 -13.348
  111    HA   THR  15           HA       THR  15  19.366  19.871 -15.703
  112    HB   THR  15           HB       THR  15  18.834  17.571 -16.491
  113    HG1  THR  15           HG1      THR  15  17.651  18.291 -18.186
  114   HG21  THR  15          3HG2      THR  15  16.505  16.800 -16.601
  115   HG22  THR  15          1HG2      THR  15  15.991  18.145 -15.559
  116   HG23  THR  15          2HG2      THR  15  17.077  16.885 -14.933
  Start of MODEL   12
    1    HA   ASP   1           HA       ASP   1   0.420  -0.680  -0.595
    2    H1   ASP   1           H1       ASP   1   1.962  -2.550  -2.241
    3    H2   ASP   1           H2       ASP   1   0.496  -2.818  -1.570
    4    H3   ASP   1           H3       ASP   1   1.823  -2.651  -0.602
    5    HB2  ASP   1           HB2      ASP   1   3.231  -0.388  -1.722
    6    HB3  ASP   1           HB3      ASP   1   2.251   0.963  -1.143
    7    H    TRP   2           H        TRP   2  -0.254   1.250  -1.799
    8    HA   TRP   2           HA       TRP   2  -1.135   0.636  -4.510
    9    HD1  TRP   2           HD1      TRP   2  -4.227   1.348  -4.644
   10    HE1  TRP   2           HE1      TRP   2  -5.173   2.704  -6.588
   11    HE3  TRP   2           HE3      TRP   2  -0.664   4.991  -4.853
   12    HZ2  TRP   2           HZ2      TRP   2  -4.481   5.145  -8.045
   13    HZ3  TRP   2           HZ3      TRP   2  -0.851   6.851  -6.505
   14    HH2  TRP   2           HH2      TRP   2  -2.765   6.912  -8.104
   15    HB2  TRP   2           HB2      TRP   2  -2.471   1.870  -2.761
   16    HB3  TRP   2           HB3      TRP   2  -1.380   3.233  -2.972
   17    H    GLU   3           H        GLU   3   0.327   0.691  -6.091
   18    HA   GLU   3           HA       GLU   3   2.742   2.272  -5.960
   19    HB2  GLU   3           HB2      GLU   3   2.648  -0.002  -6.912
   20    HB3  GLU   3           HB3      GLU   3   1.593   0.601  -8.188
   21    HG2  GLU   3           HG2      GLU   3   3.906   0.351  -8.972
   22    HG3  GLU   3           HG3      GLU   3   3.383   2.022  -9.069
   23    H    TYR   4           H        TYR   4   3.300   4.032  -7.307
   24    HA   TYR   4           HA       TYR   4   1.068   5.809  -7.914
   25    HD1  TYR   4           HD1      TYR   4   1.513   7.200  -5.734
   26    HD2  TYR   4           HD2      TYR   4   3.324   8.886  -9.263
   27    HE1  TYR   4           HE1      TYR   4   0.501   9.400  -5.198
   28    HE2  TYR   4           HE2      TYR   4   2.318  11.083  -8.748
   29    HH   TYR   4           HH       TYR   4   0.983  12.301  -7.278
   30    HB2  TYR   4           HB2      TYR   4   3.646   6.202  -7.020
   31    HB3  TYR   4           HB3      TYR   4   3.732   6.641  -8.728
   32    H    HIS   5           H        HIS   5   1.469   7.203  -9.926
   33    HA   HIS   5           HA       HIS   5   1.528   5.426 -12.331
   34    HD1  HIS   5           HD1      HIS   5  -0.164   7.325 -15.212
   35    HD2  HIS   5           HD2      HIS   5  -1.527   4.646 -12.239
   36    HE1  HIS   5           HE1      HIS   5  -1.575   5.553 -16.415
   37    HE2  HIS   5           HE2      HIS   5  -2.403   3.927 -14.605
   38    HB2  HIS   5           HB2      HIS   5  -0.526   7.128 -11.455
   39    HB3  HIS   5           HB3      HIS   5   0.260   8.073 -12.694
   40    H    ALA   6           H        ALA   6   1.958   8.877 -11.514
   41    HA   ALA   6           HA       ALA   6   4.141   9.182 -13.475
   42    HB1  ALA   6           HB3      ALA   6   2.307  10.850 -13.415
   43    HB2  ALA   6           HB1      ALA   6   2.689  11.223 -11.714
   44    HB3  ALA   6           HB2      ALA   6   3.863  11.593 -12.993
   45    H    HIS   7           H        HIS   7   5.144   7.546 -11.941
   46    HA   HIS   7           HA       HIS   7   6.160   7.992  -9.478
   47    HD1  HIS   7           HD1      HIS   7   5.466   5.248 -12.813
   48    HD2  HIS   7           HD2      HIS   7   9.219   7.192 -12.687
   49    HE1  HIS   7           HE1      HIS   7   6.354   5.274 -15.206
   50    HE2  HIS   7           HE2      HIS   7   8.664   6.401 -15.125
   51    HB2  HIS   7           HB2      HIS   7   8.053   6.459 -10.293
   52    HB3  HIS   7           HB3      HIS   7   6.438   5.854 -10.289
   53    HA   PRO   8           HA       PRO   8   9.394  10.991  -9.591
   54    HB2  PRO   8           HB2      PRO   8  11.153   9.999  -7.723
   55    HB3  PRO   8           HB3      PRO   8   9.554  10.695  -7.311
   56    HG2  PRO   8           HG2      PRO   8  10.366   7.790  -7.652
   57    HG3  PRO   8           HG3      PRO   8   9.400   8.523  -6.327
   58    HD2  PRO   8           HD2      PRO   8   8.242   7.258  -8.435
   59    HD3  PRO   8           HD3      PRO   8   7.495   8.696  -7.703
   60    H    LYS   9           H        LYS   9  11.658  11.389 -10.100
   61    HA   LYS   9           HA       LYS   9  12.705   9.466 -12.088
   62    HB2  LYS   9           HB2      LYS   9  12.652  12.480 -11.725
   63    HB3  LYS   9           HB3      LYS   9  13.901  11.758 -12.680
   64    HG2  LYS   9           HG2      LYS   9  12.105  12.487 -14.129
   65    HG3  LYS   9           HG3      LYS   9  12.246  10.727 -14.198
   66    HD2  LYS   9           HD2      LYS   9  10.301  10.471 -12.739
   67    HD3  LYS   9           HD3      LYS   9  10.203  12.231 -12.500
   68    HE2  LYS   9           HE2      LYS   9   9.733  12.471 -14.949
   69    HE3  LYS   9           HE3      LYS   9   9.824  10.709 -15.116
   70    HZ1  LYS   9           HZ3      LYS   9   7.841  12.220 -13.530
   71    HZ2  LYS   9           HZ1      LYS   9   7.984  10.593 -13.470
   72    HZ3  LYS   9           HZ2      LYS   9   7.552  11.336 -14.875
   73    HA   HYP  10           HA       HYP  10  16.308   8.904  -9.647
   74    HG   HYP  10           HG       HYP  10  17.348   9.460 -13.300
   75    HB2  HYP  10           HB2      HYP  10  18.258   8.276 -11.421
   76    HB3  HYP  10           HB3      HYP  10  16.775   7.309 -11.238
   77   HD22  HYP  10          HD3       HYP  10  14.539   8.482 -12.869
   78   HD23  HYP  10          HD2       HYP  10  15.151  10.090 -13.358
   79    HD1  HYP  10           HOD      HYP  10  16.120   6.887 -13.421
   80    H    ASN  11           H        ASN  11  18.639  10.195 -11.858
   81    HA   ASN  11           HA       ASN  11  19.505  12.026  -9.813
   82    HB2  ASN  11           HB2      ASN  11  20.962  10.457 -11.162
   83    HB3  ASN  11           HB3      ASN  11  20.715  11.514 -12.555
   84   HD21  ASN  11          1HD2      ASN  11  22.697  12.574 -12.813
   85   HD22  ASN  11          2HD2      ASN  11  23.538  13.417 -11.515
   86    H    SER  12           H        SER  12  17.092  12.973 -10.676
   87    HA   SER  12           HA       SER  12  17.081  14.577 -12.977
   88    HG   SER  12           HG       SER  12  14.654  14.981 -13.318
   89    HB2  SER  12           HB2      SER  12  15.155  13.511 -11.650
   90    HB3  SER  12           HB3      SER  12  15.290  14.866 -10.526
   91    H    DPN  13           H        DPN  13  18.242  15.281  -9.837
   92    HA   DPN  13           HA       DPN  13  19.352  16.994  -8.881
   93    HD1  DPN  13           HD1      DPN  13  18.272  18.399  -6.704
   94    HD2  DPN  13           HD2      DPN  13  15.253  17.277  -9.577
   95    HE1  DPN  13           HE1      DPN  13  16.786  17.657  -4.859
   96    HE2  DPN  13           HE2      DPN  13  13.774  16.534  -7.729
   97    HZ   DPN  13           HZ       DPN  13  14.536  16.722  -5.367
   98    HB2  DPN  13           HB2      DPN  13  17.184  18.581 -10.272
   99    HB3  DPN  13           HB3      DPN  13  18.324  19.217  -9.115
  100    H    TRP  14           H        TRP  14  19.946  16.276 -11.766
  101    HA   TRP  14           HA       TRP  14  21.910  18.420 -12.322
  102    HD1  TRP  14           HD1      TRP  14  21.625  15.322 -10.005
  103    HE1  TRP  14           HE1      TRP  14  23.454  15.358  -8.226
  104    HE3  TRP  14           HE3      TRP  14  25.324  17.451 -12.770
  105    HZ2  TRP  14           HZ2      TRP  14  26.235  16.224  -8.028
  106    HZ3  TRP  14           HZ3      TRP  14  27.571  17.888 -11.775
  107    HH2  TRP  14           HH2      TRP  14  28.029  17.272  -9.408
  108    HB2  TRP  14           HB2      TRP  14  21.852  15.411 -12.808
  109    HB3  TRP  14           HB3      TRP  14  23.119  16.492 -13.382
  110    H    THR  15           H        THR  15  18.966  17.427 -13.517
  111    HA   THR  15           HA       THR  15  19.628  18.302 -16.277
  112    HB   THR  15           HB       THR  15  17.874  16.566 -17.024
  113    HG1  THR  15           HG1      THR  15  17.648  14.773 -15.737
  114   HG21  THR  15          3HG2      THR  15  19.568  14.835 -17.297
  115   HG22  THR  15          1HG2      THR  15  20.569  15.553 -16.017
  116   HG23  THR  15          2HG2      THR  15  20.293  16.429 -17.538
  Start of MODEL   13
    1    HA   ASP   1           HA       ASP   1  -2.469   1.787  -0.396
    2    H1   ASP   1           H1       ASP   1  -4.088   0.097  -0.166
    3    H2   ASP   1           H2       ASP   1  -3.293   0.242   1.275
    4    H3   ASP   1           H3       ASP   1  -2.977  -1.021   0.265
    5    HB2  ASP   1           HB2      ASP   1  -0.534  -0.335   0.613
    6    HB3  ASP   1           HB3      ASP   1  -0.038   1.174  -0.162
    7    H    TRP   2           H        TRP   2  -1.118   2.029  -2.338
    8    HA   TRP   2           HA       TRP   2  -0.642  -0.230  -4.063
    9    HD1  TRP   2           HD1      TRP   2  -2.853  -1.998  -5.110
   10    HE1  TRP   2           HE1      TRP   2  -2.504  -3.065  -7.404
   11    HE3  TRP   2           HE3      TRP   2  -1.403   2.147  -7.672
   12    HZ2  TRP   2           HZ2      TRP   2  -1.578  -2.209 -10.054
   13    HZ3  TRP   2           HZ3      TRP   2  -0.688   2.004 -10.046
   14    HH2  TRP   2           HH2      TRP   2  -0.802  -0.195 -11.244
   15    HB2  TRP   2           HB2      TRP   2  -3.174   0.565  -4.347
   16    HB3  TRP   2           HB3      TRP   2  -2.435   1.819  -5.327
   17    H    GLU   3           H        GLU   3   0.271   0.661  -6.215
   18    HA   GLU   3           HA       GLU   3   2.532   2.264  -5.510
   19    HB2  GLU   3           HB2      GLU   3   2.522   0.289  -7.011
   20    HB3  GLU   3           HB3      GLU   3   1.619   1.231  -8.188
   21    HG2  GLU   3           HG2      GLU   3   4.028   1.020  -8.721
   22    HG3  GLU   3           HG3      GLU   3   3.515   2.688  -8.580
   23    H    TYR   4           H        TYR   4   3.261   4.163  -6.845
   24    HA   TYR   4           HA       TYR   4   1.113   6.170  -7.175
   25    HD1  TYR   4           HD1      TYR   4   1.255   7.680  -5.342
   26    HD2  TYR   4           HD2      TYR   4   3.981   9.042  -8.390
   27    HE1  TYR   4           HE1      TYR   4   0.441   9.999  -5.031
   28    HE2  TYR   4           HE2      TYR   4   3.174  11.360  -8.097
   29    HH   TYR   4           HH       TYR   4   1.720  12.769  -6.943
   30    HB2  TYR   4           HB2      TYR   4   3.620   6.437  -6.197
   31    HB3  TYR   4           HB3      TYR   4   3.877   6.774  -7.917
   32    H    HIS   5           H        HIS   5   1.729   7.659  -9.134
   33    HA   HIS   5           HA       HIS   5   1.573   5.990 -11.613
   34    HD1  HIS   5           HD1      HIS   5  -0.141   8.086 -14.340
   35    HD2  HIS   5           HD2      HIS   5  -1.501   5.314 -11.454
   36    HE1  HIS   5           HE1      HIS   5  -1.650   6.423 -15.577
   37    HE2  HIS   5           HE2      HIS   5  -2.478   4.741 -13.820
   38    HB2  HIS   5           HB2      HIS   5  -0.386   7.720 -10.585
   39    HB3  HIS   5           HB3      HIS   5   0.394   8.695 -11.799
   40    H    ALA   6           H        ALA   6   2.171   9.371 -10.621
   41    HA   ALA   6           HA       ALA   6   4.245   9.688 -12.705
   42    HB1  ALA   6           HB3      ALA   6   4.036  12.093 -12.167
   43    HB2  ALA   6           HB1      ALA   6   2.449  11.385 -12.524
   44    HB3  ALA   6           HB2      ALA   6   2.920  11.721 -10.839
   45    H    HIS   7           H        HIS   7   5.300   7.995 -11.244
   46    HA   HIS   7           HA       HIS   7   6.478   8.440  -8.840
   47    HD1  HIS   7           HD1      HIS   7   5.475   5.660 -12.059
   48    HD2  HIS   7           HD2      HIS   7   9.277   7.501 -12.240
   49    HE1  HIS   7           HE1      HIS   7   6.170   5.658 -14.513
   50    HE2  HIS   7           HE2      HIS   7   8.512   6.714 -14.619
   51    HB2  HIS   7           HB2      HIS   7   8.271   6.847  -9.756
   52    HB3  HIS   7           HB3      HIS   7   6.650   6.279  -9.617
   53    HA   PRO   8           HA       PRO   8   9.796  11.338  -9.308
   54    HB2  PRO   8           HB2      PRO   8  11.658  10.346  -7.546
   55    HB3  PRO   8           HB3      PRO   8  10.124  11.117  -7.035
   56    HG2  PRO   8           HG2      PRO   8  10.812   8.174  -7.320
   57    HG3  PRO   8           HG3      PRO   8   9.972   8.987  -5.957
   58    HD2  PRO   8           HD2      PRO   8   8.624   7.678  -7.932
   59    HD3  PRO   8           HD3      PRO   8   7.973   9.156  -7.187
   60    H    LYS   9           H        LYS   9  11.938  11.658 -10.063
   61    HA   LYS   9           HA       LYS   9  12.982   9.557 -11.854
   62    HB2  LYS   9           HB2      LYS   9  12.991  12.585 -11.718
   63    HB3  LYS   9           HB3      LYS   9  14.200  11.746 -12.663
   64    HG2  LYS   9           HG2      LYS   9  12.415  10.608 -13.974
   65    HG3  LYS   9           HG3      LYS   9  11.183  11.456 -13.019
   66    HD2  LYS   9           HD2      LYS   9  12.058  13.637 -13.827
   67    HD3  LYS   9           HD3      LYS   9  13.284  12.783 -14.794
   68    HE2  LYS   9           HE2      LYS   9  11.477  11.617 -16.046
   69    HE3  LYS   9           HE3      LYS   9  10.258  12.465 -15.084
   70    HZ1  LYS   9           HZ3      LYS   9  12.195  13.761 -16.906
   71    HZ2  LYS   9           HZ1      LYS   9  11.068  14.548 -16.013
   72    HZ3  LYS   9           HZ2      LYS   9  10.606  13.534 -17.207
   73    HA   HYP  10           HA       HYP  10  16.520   9.221  -9.245
   74    HG   HYP  10           HG       HYP  10  17.597   9.162 -12.976
   75    HB2  HYP  10           HB2      HYP  10  18.494   8.369 -10.919
   76    HB3  HYP  10           HB3      HYP  10  17.032   7.420 -10.571
   77   HD22  HYP  10          HD3       HYP  10  14.751   8.422 -12.423
   78   HD23  HYP  10          HD2       HYP  10  15.456   9.921 -13.096
   79    HD1  HYP  10           HOD      HYP  10  16.251   6.673 -12.609
   80    H    ASN  11           H        ASN  11  18.601  10.283 -11.867
   81    HA   ASN  11           HA       ASN  11  19.760  12.338 -10.195
   82    HB2  ASN  11           HB2      ASN  11  21.493  12.418 -11.774
   83    HB3  ASN  11           HB3      ASN  11  21.076  10.725 -11.575
   84   HD21  ASN  11          1HD2      ASN  11  22.277  12.536 -13.873
   85   HD22  ASN  11          2HD2      ASN  11  21.386  11.989 -15.290
   86    H    SER  12           H        SER  12  17.198  13.082 -10.691
   87    HA   SER  12           HA       SER  12  16.710  14.658 -12.972
   88    HG   SER  12           HG       SER  12  13.618  15.468 -11.422
   89    HB2  SER  12           HB2      SER  12  15.082  13.691 -11.251
   90    HB3  SER  12           HB3      SER  12  15.514  15.043 -10.201
   91    H    DPN  13           H        DPN  13  18.255  15.393  -9.977
   92    HA   DPN  13           HA       DPN  13  19.470  17.073  -9.109
   93    HD1  DPN  13           HD1      DPN  13  15.437  17.533  -9.761
   94    HD2  DPN  13           HD2      DPN  13  18.576  18.730  -7.054
   95    HE1  DPN  13           HE1      DPN  13  14.006  16.925  -7.829
   96    HE2  DPN  13           HE2      DPN  13  17.136  18.133  -5.124
   97    HZ   DPN  13           HZ       DPN  13  14.847  17.231  -5.505
   98    HB2  DPN  13           HB2      DPN  13  17.402  18.713 -10.597
   99    HB3  DPN  13           HB3      DPN  13  18.600  19.366  -9.513
  100    H    TRP  14           H        TRP  14  19.914  16.273 -12.116
  101    HA   TRP  14           HA       TRP  14  22.243  18.039 -12.513
  102    HD1  TRP  14           HD1      TRP  14  21.284  14.810 -10.733
  103    HE1  TRP  14           HE1      TRP  14  23.115  13.990  -9.158
  104    HE3  TRP  14           HE3      TRP  14  25.331  16.162 -13.506
  105    HZ2  TRP  14           HZ2      TRP  14  26.027  13.915  -9.116
  106    HZ3  TRP  14           HZ3      TRP  14  27.642  15.719 -12.683
  107    HH2  TRP  14           HH2      TRP  14  27.994  14.594 -10.492
  108    HB2  TRP  14           HB2      TRP  14  21.467  15.288 -13.578
  109    HB3  TRP  14           HB3      TRP  14  22.938  16.160 -13.989
  110    H    THR  15           H        THR  15  19.096  18.093 -13.538
  111    HA   THR  15           HA       THR  15  19.712  19.492 -16.007
  112    HB   THR  15           HB       THR  15  19.748  17.076 -16.597
  113    HG1  THR  15           HG1      THR  15  19.265  18.435 -18.224
  114   HG21  THR  15          3HG2      THR  15  17.686  15.767 -16.759
  115   HG22  THR  15          1HG2      THR  15  16.798  17.025 -15.874
  116   HG23  THR  15          2HG2      THR  15  18.110  16.127 -15.083
  Start of MODEL   14
    1    HA   ASP   1           HA       ASP   1  -1.285   0.027  -1.765
    2    H1   ASP   1           H1       ASP   1  -3.536   0.490  -3.583
    3    H2   ASP   1           H2       ASP   1  -3.467   0.872  -1.995
    4    H3   ASP   1           H3       ASP   1  -3.484  -0.713  -2.458
    5    HB2  ASP   1           HB2      ASP   1  -1.619  -0.822  -4.668
    6    HB3  ASP   1           HB3      ASP   1  -0.068  -0.763  -3.824
    7    H    TRP   2           H        TRP   2   0.625   1.296  -2.339
    8    HA   TRP   2           HA       TRP   2  -0.134   3.992  -3.129
    9    HD1  TRP   2           HD1      TRP   2   1.953   1.170  -0.457
   10    HE1  TRP   2           HE1      TRP   2   4.217   0.013  -0.664
   11    HE3  TRP   2           HE3      TRP   2   4.229   4.486  -3.587
   12    HZ2  TRP   2           HZ2      TRP   2   6.738   0.457  -2.091
   13    HZ3  TRP   2           HZ3      TRP   2   6.553   4.091  -4.388
   14    HH2  TRP   2           HH2      TRP   2   7.806   2.065  -3.623
   15    HB2  TRP   2           HB2      TRP   2   2.057   4.585  -2.181
   16    HB3  TRP   2           HB3      TRP   2   1.091   3.644  -1.067
   17    H    GLU   3           H        GLU   3  -0.129   2.111  -5.220
   18    HA   GLU   3           HA       GLU   3   2.249   2.474  -6.870
   19    HB2  GLU   3           HB2      GLU   3   0.831   0.407  -6.884
   20    HB3  GLU   3           HB3      GLU   3  -0.451   1.365  -7.616
   21    HG2  GLU   3           HG2      GLU   3   0.667   0.163  -9.370
   22    HG3  GLU   3           HG3      GLU   3   1.059   1.866  -9.559
   23    H    TYR   4           H        TYR   4   2.594   4.174  -8.221
   24    HA   TYR   4           HA       TYR   4   0.368   6.087  -8.756
   25    HD1  TYR   4           HD1      TYR   4   0.262   7.526  -6.775
   26    HD2  TYR   4           HD2      TYR   4   2.921   9.224  -9.712
   27    HE1  TYR   4           HE1      TYR   4  -0.845   9.727  -6.501
   28    HE2  TYR   4           HE2      TYR   4   1.822  11.422  -9.458
   29    HH   TYR   4           HH       TYR   4   0.159  12.637  -8.369
   30    HB2  TYR   4           HB2      TYR   4   2.766   6.573  -7.504
   31    HB3  TYR   4           HB3      TYR   4   3.115   6.958  -9.191
   32    H    HIS   5           H        HIS   5   1.076   7.469 -10.740
   33    HA   HIS   5           HA       HIS   5   1.515   5.626 -13.055
   34    HD1  HIS   5           HD1      HIS   5   0.226   7.393 -16.212
   35    HD2  HIS   5           HD2      HIS   5  -1.506   4.779 -13.376
   36    HE1  HIS   5           HE1      HIS   5  -0.961   5.550 -17.543
   37    HE2  HIS   5           HE2      HIS   5  -2.014   3.965 -15.816
   38    HB2  HIS   5           HB2      HIS   5  -0.674   7.314 -12.543
   39    HB3  HIS   5           HB3      HIS   5   0.275   8.229 -13.686
   40    H    ALA   6           H        ALA   6   1.763   9.103 -12.225
   41    HA   ALA   6           HA       ALA   6   4.217   9.407 -13.831
   42    HB1  ALA   6           HB3      ALA   6   2.542  11.451 -12.290
   43    HB2  ALA   6           HB1      ALA   6   3.876  11.815 -13.401
   44    HB3  ALA   6           HB2      ALA   6   2.388  11.077 -14.027
   45    H    HIS   7           H        HIS   7   4.925   7.731 -12.066
   46    HA   HIS   7           HA       HIS   7   5.700   8.433  -9.534
   47    HD1  HIS   7           HD1      HIS   7   7.995   7.538 -12.985
   48    HD2  HIS   7           HD2      HIS   7   5.389   4.436 -11.775
   49    HE1  HIS   7           HE1      HIS   7   7.515   6.129 -15.067
   50    HE2  HIS   7           HE2      HIS   7   5.972   4.215 -14.320
   51    HB2  HIS   7           HB2      HIS   7   7.577   6.687 -10.037
   52    HB3  HIS   7           HB3      HIS   7   5.913   6.211  -9.915
   53    HA   PRO   8           HA       PRO   8   8.980  11.298  -9.813
   54    HB2  PRO   8           HB2      PRO   8  10.626  10.574  -7.728
   55    HB3  PRO   8           HB3      PRO   8   9.004  11.306  -7.513
   56    HG2  PRO   8           HG2      PRO   8   9.834   8.390  -7.406
   57    HG3  PRO   8           HG3      PRO   8   8.778   9.286  -6.263
   58    HD2  PRO   8           HD2      PRO   8   7.775   7.734  -8.257
   59    HD3  PRO   8           HD3      PRO   8   6.972   9.248  -7.780
   60    H    LYS   9           H        LYS   9  11.157  11.713 -10.321
   61    HA   LYS   9           HA       LYS   9  12.457   9.633 -11.947
   62    HB2  LYS   9           HB2      LYS   9  12.450  12.652 -11.731
   63    HB3  LYS   9           HB3      LYS   9  13.837  11.868 -12.429
   64    HG2  LYS   9           HG2      LYS   9  12.384  12.546 -14.193
   65    HG3  LYS   9           HG3      LYS   9  12.435  10.784 -14.149
   66    HD2  LYS   9           HD2      LYS   9  10.235  10.699 -13.069
   67    HD3  LYS   9           HD3      LYS   9  10.176  12.462 -12.945
   68    HE2  LYS   9           HE2      LYS   9  10.316  10.886 -15.561
   69    HE3  LYS   9           HE3      LYS   9   8.818  11.455 -14.818
   70    HZ1  LYS   9           HZ3      LYS   9   9.620  13.724 -15.056
   71    HZ2  LYS   9           HZ1      LYS   9   9.560  12.976 -16.506
   72    HZ3  LYS   9           HZ2      LYS   9  11.001  13.206 -15.774
   73    HA   HYP  10           HA       HYP  10  15.705   9.128  -8.996
   74    HG   HYP  10           HG       HYP  10  17.231   9.408 -12.523
   75    HB2  HYP  10           HB2      HYP  10  17.835   8.334 -10.463
   76    HB3  HYP  10           HB3      HYP  10  16.307   7.419 -10.429
   77   HD22  HYP  10          HD3       HYP  10  14.351   8.552 -12.413
   78   HD23  HYP  10          HD2       HYP  10  15.078  10.117 -12.885
   79    HD1  HYP  10           HOD      HYP  10  16.490   7.776 -13.889
   80    H    ASN  11           H        ASN  11  18.332  10.202 -10.964
   81    HA   ASN  11           HA       ASN  11  18.913  12.347  -9.105
   82    HB2  ASN  11           HB2      ASN  11  21.065  12.376 -10.052
   83    HB3  ASN  11           HB3      ASN  11  20.611  10.696  -9.835
   84   HD21  ASN  11          1HD2      ASN  11  22.355  12.523 -11.862
   85   HD22  ASN  11          2HD2      ASN  11  22.027  11.723 -13.397
   86    H    SER  12           H        SER  12  16.683  13.105 -10.270
   87    HA   SER  12           HA       SER  12  16.805  14.400 -12.762
   88    HG   SER  12           HG       SER  12  14.620  16.189 -12.502
   89    HB2  SER  12           HB2      SER  12  14.813  13.604 -11.317
   90    HB3  SER  12           HB3      SER  12  14.973  15.119 -10.439
   91    H    DPN  13           H        DPN  13  17.851  15.453  -9.668
   92    HA   DPN  13           HA       DPN  13  18.964  17.214  -8.837
   93    HD1  DPN  13           HD1      DPN  13  17.855  18.971  -7.007
   94    HD2  DPN  13           HD2      DPN  13  14.972  17.729  -9.971
   95    HE1  DPN  13           HE1      DPN  13  16.163  18.628  -5.225
   96    HE2  DPN  13           HE2      DPN  13  13.287  17.386  -8.184
   97    HZ   DPN  13           HZ       DPN  13  13.877  17.834  -5.808
   98    HB2  DPN  13           HB2      DPN  13  17.073  18.719 -10.656
   99    HB3  DPN  13           HB3      DPN  13  18.155  19.452  -9.507
  100    H    TRP  14           H        TRP  14  19.699  16.109 -11.649
  101    HA   TRP  14           HA       TRP  14  22.023  17.876 -12.053
  102    HD1  TRP  14           HD1      TRP  14  20.964  14.890  -9.905
  103    HE1  TRP  14           HE1      TRP  14  22.638  14.410  -8.041
  104    HE3  TRP  14           HE3      TRP  14  25.239  16.048 -12.410
  105    HZ2  TRP  14           HZ2      TRP  14  25.528  14.507  -7.682
  106    HZ3  TRP  14           HZ3      TRP  14  27.460  15.864 -11.291
  107    HH2  TRP  14           HH2      TRP  14  27.608  15.092  -8.930
  108    HB2  TRP  14           HB2      TRP  14  21.426  14.965 -12.741
  109    HB3  TRP  14           HB3      TRP  14  22.916  15.810 -13.142
  110    H    THR  15           H        THR  15  19.037  17.438 -13.489
  111    HA   THR  15           HA       THR  15  20.017  18.296 -16.158
  112    HB   THR  15           HB       THR  15  18.087  16.835 -17.076
  113    HG1  THR  15           HG1      THR  15  17.533  15.065 -15.865
  114   HG21  THR  15          3HG2      THR  15  20.557  15.441 -15.949
  115   HG22  THR  15          1HG2      THR  15  20.496  16.384 -17.453
  116   HG23  THR  15          2HG2      THR  15  19.552  14.896 -17.308
  Start of MODEL   15
    1    HA   ASP   1           HA       ASP   1  -1.204   0.083  -1.652
    2    H1   ASP   1           H1       ASP   1  -3.475   0.543  -3.445
    3    H2   ASP   1           H2       ASP   1  -3.381   0.945  -1.864
    4    H3   ASP   1           H3       ASP   1  -3.418  -0.645  -2.306
    5    HB2  ASP   1           HB2      ASP   1  -1.581  -0.800  -4.539
    6    HB3  ASP   1           HB3      ASP   1  -0.020  -0.742  -3.715
    7    H    TRP   2           H        TRP   2   0.713   1.321  -2.277
    8    HA   TRP   2           HA       TRP   2  -0.030   4.022  -3.066
    9    HD1  TRP   2           HD1      TRP   2   2.103   1.170  -0.463
   10    HE1  TRP   2           HE1      TRP   2   4.363   0.016  -0.720
   11    HE3  TRP   2           HE3      TRP   2   4.324   4.517  -3.599
   12    HZ2  TRP   2           HZ2      TRP   2   6.861   0.477  -2.180
   13    HZ3  TRP   2           HZ3      TRP   2   6.637   4.132  -4.438
   14    HH2  TRP   2           HH2      TRP   2   7.904   2.100  -3.713
   15    HB2  TRP   2           HB2      TRP   2   2.178   4.599  -2.170
   16    HB3  TRP   2           HB3      TRP   2   1.239   3.661  -1.032
   17    H    GLU   3           H        GLU   3  -0.115   2.152  -5.157
   18    HA   GLU   3           HA       GLU   3   2.234   2.461  -6.861
   19    HB2  GLU   3           HB2      GLU   3   0.766   0.428  -6.843
   20    HB3  GLU   3           HB3      GLU   3  -0.509   1.417  -7.545
   21    HG2  GLU   3           HG2      GLU   3   0.536   0.195  -9.327
   22    HG3  GLU   3           HG3      GLU   3   0.973   1.887  -9.520
   23    H    TYR   4           H        TYR   4   2.592   4.180  -8.180
   24    HA   TYR   4           HA       TYR   4   0.386   6.118  -8.702
   25    HD1  TYR   4           HD2      TYR   4   0.315   7.561  -6.715
   26    HD2  TYR   4           HD1      TYR   4   2.964   9.223  -9.682
   27    HE1  TYR   4           HE2      TYR   4  -0.770   9.769  -6.439
   28    HE2  TYR   4           HE1      TYR   4   1.884  11.433  -9.425
   29    HH   TYR   4           HH       TYR   4  -0.826  11.995  -7.121
   30    HB2  TYR   4           HB2      TYR   4   2.797   6.576  -7.464
   31    HB3  TYR   4           HB3      TYR   4   3.139   6.957  -9.155
   32    H    HIS   5           H        HIS   5   1.087   7.489 -10.685
   33    HA   HIS   5           HA       HIS   5   1.487   5.646 -13.006
   34    HD1  HIS   5           HD1      HIS   5   0.211   7.449 -16.151
   35    HD2  HIS   5           HD2      HIS   5  -1.545   4.847 -13.319
   36    HE1  HIS   5           HE1      HIS   5  -1.010   5.632 -17.486
   37    HE2  HIS   5           HE2      HIS   5  -2.078   4.053 -15.762
   38    HB2  HIS   5           HB2      HIS   5  -0.673   7.364 -12.478
   39    HB3  HIS   5           HB3      HIS   5   0.284   8.271 -13.622
   40    H    ALA   6           H        ALA   6   1.790   9.121 -12.184
   41    HA   ALA   6           HA       ALA   6   4.246   9.358 -13.805
   42    HB1  ALA   6           HB3      ALA   6   2.578  11.467 -12.344
   43    HB2  ALA   6           HB1      ALA   6   3.917  11.783 -13.465
   44    HB3  ALA   6           HB2      ALA   6   2.426  11.032 -14.067
   45    H    HIS   7           H        HIS   7   4.938   7.741 -11.975
   46    HA   HIS   7           HA       HIS   7   5.735   8.577  -9.481
   47    HD1  HIS   7           HD1      HIS   7   7.968   7.359 -12.890
   48    HD2  HIS   7           HD2      HIS   7   5.229   4.485 -11.434
   49    HE1  HIS   7           HE1      HIS   7   7.366   5.850 -14.868
   50    HE2  HIS   7           HE2      HIS   7   5.746   4.070 -13.968
   51    HB2  HIS   7           HB2      HIS   7   7.569   6.757  -9.893
   52    HB3  HIS   7           HB3      HIS   7   5.897   6.336  -9.698
   53    HA   PRO   8           HA       PRO   8   9.095  11.327 -10.016
   54    HB2  PRO   8           HB2      PRO   8  10.712  10.754  -7.868
   55    HB3  PRO   8           HB3      PRO   8   9.102  11.526  -7.721
   56    HG2  PRO   8           HG2      PRO   8   9.889   8.616  -7.370
   57    HG3  PRO   8           HG3      PRO   8   8.845   9.617  -6.306
   58    HD2  PRO   8           HD2      PRO   8   7.825   7.919  -8.176
   59    HD3  PRO   8           HD3      PRO   8   7.039   9.475  -7.810
   60    H    LYS   9           H        LYS   9  11.269  11.647 -10.552
   61    HA   LYS   9           HA       LYS   9  12.594   9.394 -11.896
   62    HB2  LYS   9           HB2      LYS   9  12.630  12.425 -11.998
   63    HB3  LYS   9           HB3      LYS   9  13.926  11.499 -12.727
   64    HG2  LYS   9           HG2      LYS   9  12.289  10.284 -14.151
   65    HG3  LYS   9           HG3      LYS   9  10.971  11.223 -13.421
   66    HD2  LYS   9           HD2      LYS   9  11.986  13.325 -14.300
   67    HD3  LYS   9           HD3      LYS   9  13.322  12.389 -14.979
   68    HE2  LYS   9           HE2      LYS   9  11.813  12.868 -16.771
   69    HE3  LYS   9           HE3      LYS   9  11.709  11.140 -16.422
   70    HZ1  LYS   9           HZ3      LYS   9   9.648  11.580 -15.221
   71    HZ2  LYS   9           HZ1      LYS   9   9.539  12.140 -16.751
   72    HZ3  LYS   9           HZ2      LYS   9   9.767  13.189 -15.521
   73    HA   HYP  10           HA       HYP  10  15.765   9.317  -8.824
   74    HG   HYP  10           HG       HYP  10  17.332   8.965 -12.354
   75    HB2  HYP  10           HB2      HYP  10  17.920   8.309 -10.131
   76    HB3  HYP  10           HB3      HYP  10  16.402   7.405  -9.933
   77   HD22  HYP  10          HD3       HYP  10  14.434   8.225 -12.119
   78   HD23  HYP  10          HD2       HYP  10  15.206   9.675 -12.828
   79    HD1  HYP  10           HOD      HYP  10  16.542   7.129 -13.393
   80    H    ASN  11           H        ASN  11  18.258  10.118 -11.143
   81    HA   ASN  11           HA       ASN  11  19.135  12.318  -9.502
   82    HB2  ASN  11           HB2      ASN  11  21.120  12.251 -10.743
   83    HB3  ASN  11           HB3      ASN  11  20.641  10.584 -10.463
   84   HD21  ASN  11          1HD2      ASN  11  22.309  12.091 -12.652
   85   HD22  ASN  11          2HD2      ASN  11  21.659  11.443 -14.156
   86    H    SER  12           H        SER  12  16.703  13.008 -10.601
   87    HA   SER  12           HA       SER  12  16.811  14.491 -13.006
   88    HG   SER  12           HG       SER  12  14.446  15.119 -13.436
   89    HB2  SER  12           HB2      SER  12  14.774  13.592 -11.761
   90    HB3  SER  12           HB3      SER  12  14.958  14.930 -10.622
   91    H    DPN  13           H        DPN  13  17.701  15.290  -9.780
   92    HA   DPN  13           HA       DPN  13  18.792  16.969  -8.755
   93    HD1  DPN  13           HD1      DPN  13  14.945  17.525 -10.143
   94    HD2  DPN  13           HD2      DPN  13  17.543  18.741  -6.920
   95    HE1  DPN  13           HE1      DPN  13  13.124  17.099  -8.512
   96    HE2  DPN  13           HE2      DPN  13  15.716  18.318  -5.293
   97    HZ   DPN  13           HZ       DPN  13  13.505  17.496  -6.084
   98    HB2  DPN  13           HB2      DPN  13  17.071  18.625 -10.614
   99    HB3  DPN  13           HB3      DPN  13  18.072  19.265  -9.342
  100    H    TRP  14           H        TRP  14  19.688  16.063 -11.623
  101    HA   TRP  14           HA       TRP  14  22.011  17.877 -11.829
  102    HD1  TRP  14           HD1      TRP  14  20.802  14.642  -9.831
  103    HE1  TRP  14           HE1      TRP  14  22.209  14.260  -7.735
  104    HE3  TRP  14           HE3      TRP  14  25.261  16.388 -11.575
  105    HZ2  TRP  14           HZ2      TRP  14  24.974  14.656  -6.913
  106    HZ3  TRP  14           HZ3      TRP  14  27.281  16.386 -10.118
  107    HH2  TRP  14           HH2      TRP  14  27.144  15.519  -7.790
  108    HB2  TRP  14           HB2      TRP  14  21.611  14.925 -12.504
  109    HB3  TRP  14           HB3      TRP  14  23.098  15.838 -12.709
  110    H    THR  15           H        THR  15  19.165  17.126 -13.441
  111    HA   THR  15           HA       THR  15  20.147  17.126 -16.184
  112    HB   THR  15           HB       THR  15  17.336  17.570 -15.102
  113    HG1  THR  15           HG1      THR  15  18.646  15.153 -15.874
  114   HG21  THR  15          3HG2      THR  15  17.526  18.190 -17.464
  115   HG22  THR  15          1HG2      THR  15  16.609  16.687 -17.304
  116   HG23  THR  15          2HG2      THR  15  18.305  16.640 -17.843
  Start of MODEL   16
    1    HA   ASP   1           HA       ASP   1  -0.835  -0.494  -1.974
    2    H1   ASP   1           H1       ASP   1  -2.686   0.319  -0.774
    3    H2   ASP   1           H2       ASP   1  -3.174  -1.009  -1.626
    4    H3   ASP   1           H3       ASP   1  -3.584   0.506  -2.127
    5    HB2  ASP   1           HB2      ASP   1  -2.675  -0.297  -4.389
    6    HB3  ASP   1           HB3      ASP   1  -0.921  -0.494  -4.488
    7    H    TRP   2           H        TRP   2   0.731   0.937  -2.958
    8    HA   TRP   2           HA       TRP   2  -0.124   3.782  -3.067
    9    HD1  TRP   2           HD1      TRP   2   1.971   0.747  -0.652
   10    HE1  TRP   2           HE1      TRP   2   4.287  -0.299  -0.888
   11    HE3  TRP   2           HE3      TRP   2   4.223   4.464  -3.313
   12    HZ2  TRP   2           HZ2      TRP   2   6.843   0.398  -2.139
   13    HZ3  TRP   2           HZ3      TRP   2   6.596   4.249  -4.041
   14    HH2  TRP   2           HH2      TRP   2   7.902   2.202  -3.440
   15    HB2  TRP   2           HB2      TRP   2   2.012   4.335  -2.005
   16    HB3  TRP   2           HB3      TRP   2   1.063   3.274  -0.988
   17    H    GLU   3           H        GLU   3   0.005   1.932  -5.201
   18    HA   GLU   3           HA       GLU   3   2.356   2.461  -6.827
   19    HB2  GLU   3           HB2      GLU   3   1.034   0.381  -6.971
   20    HB3  GLU   3           HB3      GLU   3  -0.319   1.316  -7.612
   21    HG2  GLU   3           HG2      GLU   3   1.044   1.991  -9.565
   22    HG3  GLU   3           HG3      GLU   3   2.438   1.133  -8.903
   23    H    TYR   4           H        TYR   4   2.711   4.306  -7.945
   24    HA   TYR   4           HA       TYR   4   0.445   6.142  -8.560
   25    HD1  TYR   4           HD2      TYR   4   0.252   7.680  -6.696
   26    HD2  TYR   4           HD1      TYR   4   3.034   9.279  -9.575
   27    HE1  TYR   4           HE2      TYR   4  -0.870   9.884  -6.553
   28    HE2  TYR   4           HE1      TYR   4   1.921  11.481  -9.450
   29    HH   TYR   4           HH       TYR   4   0.210  12.729  -8.479
   30    HB2  TYR   4           HB2      TYR   4   2.806   6.717  -7.291
   31    HB3  TYR   4           HB3      TYR   4   3.189   7.036  -8.989
   32    H    HIS   5           H        HIS   5   1.131   7.511 -10.546
   33    HA   HIS   5           HA       HIS   5   1.535   5.642 -12.846
   34    HD1  HIS   5           HD1      HIS   5   0.195   7.381 -15.999
   35    HD2  HIS   5           HD2      HIS   5  -1.498   4.806 -13.104
   36    HE1  HIS   5           HE1      HIS   5  -1.028   5.533 -17.289
   37    HE2  HIS   5           HE2      HIS   5  -2.059   3.972 -15.527
   38    HB2  HIS   5           HB2      HIS   5  -0.638   7.342 -12.313
   39    HB3  HIS   5           HB3      HIS   5   0.290   8.243 -13.485
   40    H    ALA   6           H        ALA   6   1.808   9.132 -12.073
   41    HA   ALA   6           HA       ALA   6   4.226   9.374 -13.751
   42    HB1  ALA   6           HB3      ALA   6   2.555  11.489 -12.300
   43    HB2  ALA   6           HB1      ALA   6   3.866  11.801 -13.455
   44    HB3  ALA   6           HB2      ALA   6   2.375  11.015 -14.010
   45    H    HIS   7           H        HIS   7   4.977   7.803 -11.902
   46    HA   HIS   7           HA       HIS   7   5.817   8.719  -9.447
   47    HD1  HIS   7           HD1      HIS   7   7.980   7.397 -12.861
   48    HD2  HIS   7           HD2      HIS   7   5.269   4.575 -11.260
   49    HE1  HIS   7           HE1      HIS   7   7.326   5.837 -14.780
   50    HE2  HIS   7           HE2      HIS   7   5.725   4.086 -13.793
   51    HB2  HIS   7           HB2      HIS   7   7.650   6.894  -9.841
   52    HB3  HIS   7           HB3      HIS   7   5.986   6.472  -9.590
   53    HA   PRO   8           HA       PRO   8   9.206  11.420 -10.194
   54    HB2  PRO   8           HB2      PRO   8  10.808  10.980  -8.014
   55    HB3  PRO   8           HB3      PRO   8   9.194  11.751  -7.906
   56    HG2  PRO   8           HG2      PRO   8   9.998   8.867  -7.397
   57    HG3  PRO   8           HG3      PRO   8   8.959   9.922  -6.381
   58    HD2  PRO   8           HD2      PRO   8   7.935   8.120  -8.160
   59    HD3  PRO   8           HD3      PRO   8   7.141   9.685  -7.852
   60    H    LYS   9           H        LYS   9  11.396  11.662 -10.714
   61    HA   LYS   9           HA       LYS   9  12.759   9.296 -11.818
   62    HB2  LYS   9           HB2      LYS   9  12.807  12.301 -12.168
   63    HB3  LYS   9           HB3      LYS   9  14.189  11.354 -12.679
   64    HG2  LYS   9           HG2      LYS   9  12.727   9.988 -14.158
   65    HG3  LYS   9           HG3      LYS   9  11.324  10.947 -13.645
   66    HD2  LYS   9           HD2      LYS   9  12.389  12.996 -14.560
   67    HD3  LYS   9           HD3      LYS   9  13.791  12.033 -15.081
   68    HE2  LYS   9           HE2      LYS   9  12.301  10.653 -16.520
   69    HE3  LYS   9           HE3      LYS   9  10.908  11.613 -16.002
   70    HZ1  LYS   9           HZ3      LYS   9  13.232  12.657 -17.507
   71    HZ2  LYS   9           HZ1      LYS   9  11.941  13.547 -17.026
   72    HZ3  LYS   9           HZ2      LYS   9  11.752  12.355 -18.126
   73    HA   HYP  10           HA       HYP  10  15.644   9.312  -8.515
   74    HG   HYP  10           HG       HYP  10  17.516   8.812 -11.894
   75    HB2  HYP  10           HB2      HYP  10  17.936   8.306  -9.605
   76    HB3  HYP  10           HB3      HYP  10  16.426   7.382  -9.469
   77   HD22  HYP  10          HD3       HYP  10  14.602   8.104 -11.842
   78   HD23  HYP  10          HD2       HYP  10  15.443   9.506 -12.566
   79    HD1  HYP  10           HOD      HYP  10  16.788   6.925 -12.885
   80    H    ASN  11           H        ASN  11  18.219  10.118 -10.778
   81    HA   ASN  11           HA       ASN  11  19.063  12.357  -9.146
   82    HB2  ASN  11           HB2      ASN  11  21.039  12.336 -10.399
   83    HB3  ASN  11           HB3      ASN  11  20.615  10.659 -10.100
   84   HD21  ASN  11          1HD2      ASN  11  22.106  12.377 -12.361
   85   HD22  ASN  11          2HD2      ASN  11  21.514  11.613 -13.834
   86    H    SER  12           H        SER  12  16.613  12.990 -10.142
   87    HA   SER  12           HA       SER  12  16.554  14.231 -12.672
   88    HG   SER  12           HG       SER  12  14.278  15.912 -12.344
   89    HB2  SER  12           HB2      SER  12  14.662  13.350 -11.154
   90    HB3  SER  12           HB3      SER  12  14.770  14.885 -10.297
   91    H    DPN  13           H        DPN  13  17.589  15.382  -9.606
   92    HA   DPN  13           HA       DPN  13  18.599  17.213  -8.795
   93    HD1  DPN  13           HD1      DPN  13  17.411  18.969  -7.018
   94    HD2  DPN  13           HD2      DPN  13  14.605  17.468  -9.933
   95    HE1  DPN  13           HE1      DPN  13  15.754  18.557  -5.217
   96    HE2  DPN  13           HE2      DPN  13  12.955  17.054  -8.128
   97    HZ   DPN  13           HZ       DPN  13  13.524  17.598  -5.767
   98    HB2  DPN  13           HB2      DPN  13  16.640  18.577 -10.656
   99    HB3  DPN  13           HB3      DPN  13  17.679  19.397  -9.524
  100    H    TRP  14           H        TRP  14  19.414  16.112 -11.603
  101    HA   TRP  14           HA       TRP  14  21.685  17.948 -11.962
  102    HD1  TRP  14           HD1      TRP  14  20.722  14.945  -9.936
  103    HE1  TRP  14           HE1      TRP  14  22.456  14.341  -8.167
  104    HE3  TRP  14           HE3      TRP  14  24.923  16.029 -12.592
  105    HZ2  TRP  14           HZ2      TRP  14  25.360  14.319  -7.934
  106    HZ3  TRP  14           HZ3      TRP  14  27.183  15.724 -11.581
  107    HH2  TRP  14           HH2      TRP  14  27.404  14.868  -9.255
  108    HB2  TRP  14           HB2      TRP  14  21.113  15.080 -12.826
  109    HB3  TRP  14           HB3      TRP  14  22.580  15.973 -13.208
  110    H    THR  15           H        THR  15  18.671  17.651 -13.337
  111    HA   THR  15           HA       THR  15  19.614  18.576 -16.007
  112    HB   THR  15           HB       THR  15  17.200  17.568 -16.631
  113    HG1  THR  15           HG1      THR  15  17.004  16.636 -14.443
  114   HG21  THR  15          3HG2      THR  15  18.389  15.583 -17.509
  115   HG22  THR  15          1HG2      THR  15  19.789  15.960 -16.476
  116   HG23  THR  15          2HG2      THR  15  19.311  17.068 -17.780
  Start of MODEL   17
    1    HA   ASP   1           HA       ASP   1  -0.641  -0.564  -2.777
    2    H1   ASP   1           H1       ASP   1  -0.801  -0.363  -0.407
    3    H2   ASP   1           H2       ASP   1  -2.035  -1.297  -0.955
    4    H3   ASP   1           H3       ASP   1  -2.308   0.261  -0.505
    5    HB2  ASP   1           HB2      ASP   1  -2.929  -0.990  -3.360
    6    HB3  ASP   1           HB3      ASP   1  -3.459   0.557  -2.683
    7    H    TRP   2           H        TRP   2   0.719   0.963  -3.527
    8    HA   TRP   2           HA       TRP   2   0.107   3.779  -3.209
    9    HD1  TRP   2           HD1      TRP   2   2.332   0.787  -0.857
   10    HE1  TRP   2           HE1      TRP   2   4.653  -0.228  -1.169
   11    HE3  TRP   2           HE3      TRP   2   4.434   4.522  -3.611
   12    HZ2  TRP   2           HZ2      TRP   2   7.152   0.498  -2.515
   13    HZ3  TRP   2           HZ3      TRP   2   6.782   4.334  -4.426
   14    HH2  TRP   2           HH2      TRP   2   8.138   2.310  -3.863
   15    HB2  TRP   2           HB2      TRP   2   2.279   4.369  -2.243
   16    HB3  TRP   2           HB3      TRP   2   1.395   3.325  -1.155
   17    H    GLU   3           H        GLU   3   0.106   1.882  -5.318
   18    HA   GLU   3           HA       GLU   3   2.410   2.385  -7.029
   19    HB2  GLU   3           HB2      GLU   3   1.051   0.315  -7.119
   20    HB3  GLU   3           HB3      GLU   3  -0.296   1.272  -7.748
   21    HG2  GLU   3           HG2      GLU   3   1.059   1.919  -9.716
   22    HG3  GLU   3           HG3      GLU   3   2.440   1.030  -9.070
   23    H    TYR   4           H        TYR   4   2.740   4.226  -8.167
   24    HA   TYR   4           HA       TYR   4   0.452   6.051  -8.733
   25    HD1  TYR   4           HD2      TYR   4   0.268   7.496  -6.763
   26    HD2  TYR   4           HD1      TYR   4   2.913   9.277  -9.667
   27    HE1  TYR   4           HE2      TYR   4  -0.919   9.654  -6.514
   28    HE2  TYR   4           HE1      TYR   4   1.729  11.436  -9.437
   29    HH   TYR   4           HH       TYR   4  -1.058  11.876  -7.198
   30    HB2  TYR   4           HB2      TYR   4   2.817   6.626  -7.455
   31    HB3  TYR   4           HB3      TYR   4   3.166   7.023  -9.144
   32    H    HIS   5           H        HIS   5   1.090   7.453 -10.691
   33    HA   HIS   5           HA       HIS   5   1.553   5.639 -13.020
   34    HD1  HIS   5           HD1      HIS   5   0.280   7.406 -16.160
   35    HD2  HIS   5           HD2      HIS   5  -1.509   4.842 -13.314
   36    HE1  HIS   5           HE1      HIS   5  -0.949   5.587 -17.484
   37    HE2  HIS   5           HE2      HIS   5  -2.037   4.031 -15.752
   38    HB2  HIS   5           HB2      HIS   5  -0.617   7.346 -12.484
   39    HB3  HIS   5           HB3      HIS   5   0.334   8.254 -13.635
   40    H    ALA   6           H        ALA   6   1.834   9.112 -12.168
   41    HA   ALA   6           HA       ALA   6   4.295   9.378 -13.775
   42    HB1  ALA   6           HB3      ALA   6   3.963  11.796 -13.393
   43    HB2  ALA   6           HB1      ALA   6   2.474  11.056 -14.014
   44    HB3  ALA   6           HB2      ALA   6   2.620  11.459 -12.282
   45    H    HIS   7           H        HIS   7   4.982   7.731 -11.969
   46    HA   HIS   7           HA       HIS   7   5.793   8.545  -9.468
   47    HD1  HIS   7           HD1      HIS   7   7.987   7.300 -12.909
   48    HD2  HIS   7           HD2      HIS   7   5.207   4.485 -11.419
   49    HE1  HIS   7           HE1      HIS   7   7.327   5.806 -14.880
   50    HE2  HIS   7           HE2      HIS   7   5.683   4.060 -13.959
   51    HB2  HIS   7           HB2      HIS   7   7.622   6.719  -9.916
   52    HB3  HIS   7           HB3      HIS   7   5.951   6.309  -9.687
   53    HA   PRO   8           HA       PRO   8   9.087  11.334  -9.988
   54    HB2  PRO   8           HB2      PRO   8  10.761  10.751  -7.881
   55    HB3  PRO   8           HB3      PRO   8   9.136  11.483  -7.689
   56    HG2  PRO   8           HG2      PRO   8   9.988   8.584  -7.422
   57    HG3  PRO   8           HG3      PRO   8   8.947   9.540  -6.315
   58    HD2  PRO   8           HD2      PRO   8   7.917   7.870  -8.197
   59    HD3  PRO   8           HD3      PRO   8   7.116   9.409  -7.797
   60    H    LYS   9           H        LYS   9  11.267  11.725 -10.529
   61    HA   LYS   9           HA       LYS   9  12.599   9.537 -11.984
   62    HB2  LYS   9           HB2      LYS   9  12.535  12.555 -12.030
   63    HB3  LYS   9           HB3      LYS   9  13.986  11.767 -12.583
   64    HG2  LYS   9           HG2      LYS   9  12.564  12.247 -14.468
   65    HG3  LYS   9           HG3      LYS   9  12.735  10.499 -14.275
   66    HD2  LYS   9           HD2      LYS   9  10.472  10.334 -13.329
   67    HD3  LYS   9           HD3      LYS   9  10.343  12.095 -13.259
   68    HE2  LYS   9           HE2      LYS   9   9.066  11.309 -15.142
   69    HE3  LYS   9           HE3      LYS   9  10.457  12.224 -15.730
   70    HZ1  LYS   9           HZ3      LYS   9  10.276   9.267 -15.647
   71    HZ2  LYS   9           HZ1      LYS   9  11.549  10.124 -16.231
   72    HZ3  LYS   9           HZ2      LYS   9  10.102  10.192 -16.981
   73    HA   HYP  10           HA       HYP  10  15.761   9.232  -8.942
   74    HG   HYP  10           HG       HYP  10  17.354   9.195 -12.477
   75    HB2  HYP  10           HB2      HYP  10  17.934   8.355 -10.315
   76    HB3  HYP  10           HB3      HYP  10  16.421   7.427 -10.206
   77   HD22  HYP  10          HD3       HYP  10  14.461   8.417 -12.324
   78   HD23  HYP  10          HD2       HYP  10  15.227   9.925 -12.906
   79    HD1  HYP  10           HOD      HYP  10  16.589   7.451 -13.676
   80    H    ASN  11           H        ASN  11  18.274  10.244 -11.156
   81    HA   ASN  11           HA       ASN  11  19.080  12.353  -9.349
   82    HB2  ASN  11           HB2      ASN  11  21.098  12.390 -10.544
   83    HB3  ASN  11           HB3      ASN  11  20.647  10.705 -10.359
   84   HD21  ASN  11          1HD2      ASN  11  22.235  12.520 -12.461
   85   HD22  ASN  11          2HD2      ASN  11  21.680  11.857 -13.996
   86    H    SER  12           H        SER  12  16.697  13.113 -10.308
   87    HA   SER  12           HA       SER  12  16.622  14.562 -12.718
   88    HG   SER  12           HG       SER  12  14.188  15.161 -12.939
   89    HB2  SER  12           HB2      SER  12  14.696  13.720 -11.260
   90    HB3  SER  12           HB3      SER  12  14.995  15.094 -10.192
   91    H    DPN  13           H        DPN  13  17.734  15.465  -9.586
   92    HA   DPN  13           HA       DPN  13  18.849  17.191  -8.669
   93    HD1  DPN  13           HD1      DPN  13  14.919  17.676  -9.902
   94    HD2  DPN  13           HD2      DPN  13  17.676  18.936  -6.831
   95    HE1  DPN  13           HE1      DPN  13  13.196  17.238  -8.173
   96    HE2  DPN  13           HE2      DPN  13  15.946  18.503  -5.106
   97    HZ   DPN  13           HZ       DPN  13  13.703  17.653  -5.771
   98    HB2  DPN  13           HB2      DPN  13  17.014  18.756 -10.502
   99    HB3  DPN  13           HB3      DPN  13  18.058  19.455  -9.297
  100    H    TRP  14           H        TRP  14  19.636  16.221 -11.562
  101    HA   TRP  14           HA       TRP  14  21.982  17.987 -11.809
  102    HD1  TRP  14           HD1      TRP  14  20.876  14.868  -9.917
  103    HE1  TRP  14           HE1      TRP  14  22.536  14.207  -8.095
  104    HE3  TRP  14           HE3      TRP  14  25.179  16.128 -12.320
  105    HZ2  TRP  14           HZ2      TRP  14  25.427  14.216  -7.728
  106    HZ3  TRP  14           HZ3      TRP  14  27.394  15.810 -11.218
  107    HH2  TRP  14           HH2      TRP  14  27.521  14.852  -8.926
  108    HB2  TRP  14           HB2      TRP  14  21.356  15.153 -12.746
  109    HB3  TRP  14           HB3      TRP  14  22.856  16.015 -13.066
  110    H    THR  15           H        THR  15  18.989  17.669 -13.267
  111    HA   THR  15           HA       THR  15  19.970  18.837 -15.825
  112    HB   THR  15           HB       THR  15  17.964  17.590 -16.876
  113    HG1  THR  15           HG1      THR  15  17.152  16.723 -14.896
  114   HG21  THR  15          3HG2      THR  15  20.327  17.126 -17.414
  115   HG22  THR  15          1HG2      THR  15  19.359  15.646 -17.404
  116   HG23  THR  15          2HG2      THR  15  20.435  16.009 -16.037
  Start of MODEL   18
    1    HA   ASP   1           HA       ASP   1  -1.078   0.198  -1.831
    2    H1   ASP   1           H1       ASP   1  -3.468   1.110  -3.261
    3    H2   ASP   1           H2       ASP   1  -3.141   1.316  -1.672
    4    H3   ASP   1           H3       ASP   1  -3.428  -0.200  -2.262
    5    HB2  ASP   1           HB2      ASP   1  -1.898  -0.304  -4.718
    6    HB3  ASP   1           HB3      ASP   1  -0.256  -0.513  -4.101
    7    H    TRP   2           H        TRP   2   0.876   1.313  -2.492
    8    HA   TRP   2           HA       TRP   2   0.348   4.128  -3.069
    9    HD1  TRP   2           HD1      TRP   2   2.291   0.960  -0.693
   10    HE1  TRP   2           HE1      TRP   2   4.428  -0.376  -1.089
   11    HE3  TRP   2           HE3      TRP   2   4.706   4.258  -3.737
   12    HZ2  TRP   2           HZ2      TRP   2   6.913  -0.058  -2.607
   13    HZ3  TRP   2           HZ3      TRP   2   6.954   3.719  -4.666
   14    HH2  TRP   2           HH2      TRP   2   8.053   1.548  -4.088
   15    HB2  TRP   2           HB2      TRP   2   2.627   4.457  -2.220
   16    HB3  TRP   2           HB3      TRP   2   1.643   3.545  -1.097
   17    H    GLU   3           H        GLU   3   0.075   2.313  -5.212
   18    HA   GLU   3           HA       GLU   3   2.363   2.571  -7.008
   19    HB2  GLU   3           HB2      GLU   3   0.863   0.597  -6.965
   20    HB3  GLU   3           HB3      GLU   3  -0.441   1.619  -7.570
   21    HG2  GLU   3           HG2      GLU   3   0.868   2.109  -9.620
   22    HG3  GLU   3           HG3      GLU   3   2.209   1.142  -9.001
   23    H    TYR   4           H        TYR   4   2.764   4.380  -8.178
   24    HA   TYR   4           HA       TYR   4   0.550   6.282  -8.789
   25    HD1  TYR   4           HD1      TYR   4   0.457   7.789  -6.837
   26    HD2  TYR   4           HD2      TYR   4   3.101   9.373  -9.853
   27    HE1  TYR   4           HE1      TYR   4  -0.649   9.995  -6.641
   28    HE2  TYR   4           HE2      TYR   4   1.998  11.580  -9.675
   29    HH   TYR   4           HH       TYR   4  -0.724  12.196  -7.400
   30    HB2  TYR   4           HB2      TYR   4   2.947   6.800  -7.540
   31    HB3  TYR   4           HB3      TYR   4   3.297   7.131  -9.241
   32    H    HIS   5           H        HIS   5   1.238   7.578 -10.802
   33    HA   HIS   5           HA       HIS   5   1.640   5.656 -13.055
   34    HD1  HIS   5           HD1      HIS   5   0.366   7.358 -16.263
   35    HD2  HIS   5           HD2      HIS   5  -1.405   4.892 -13.321
   36    HE1  HIS   5           HE1      HIS   5  -0.895   5.511 -17.518
   37    HE2  HIS   5           HE2      HIS   5  -1.972   4.015 -15.727
   38    HB2  HIS   5           HB2      HIS   5  -0.491   7.428 -12.587
   39    HB3  HIS   5           HB3      HIS   5   0.476   8.272 -13.770
   40    H    ALA   6           H        ALA   6   1.997   9.155 -12.362
   41    HA   ALA   6           HA       ALA   6   4.467   9.285 -13.981
   42    HB1  ALA   6           HB3      ALA   6   4.163  11.729 -13.760
   43    HB2  ALA   6           HB1      ALA   6   2.670  10.966 -14.344
   44    HB3  ALA   6           HB2      ALA   6   2.808  11.481 -12.641
   45    H    HIS   7           H        HIS   7   5.126   7.752 -12.068
   46    HA   HIS   7           HA       HIS   7   5.864   8.712  -9.603
   47    HD1  HIS   7           HD1      HIS   7   8.151   7.190 -12.880
   48    HD2  HIS   7           HD2      HIS   7   5.255   4.555 -11.282
   49    HE1  HIS   7           HE1      HIS   7   7.474   5.605 -14.773
   50    HE2  HIS   7           HE2      HIS   7   5.767   3.962 -13.781
   51    HB2  HIS   7           HB2      HIS   7   7.688   6.840  -9.871
   52    HB3  HIS   7           HB3      HIS   7   6.005   6.469  -9.659
   53    HA   PRO   8           HA       PRO   8   9.234  11.415 -10.167
   54    HB2  PRO   8           HB2      PRO   8  10.741  11.009  -7.910
   55    HB3  PRO   8           HB3      PRO   8   9.104  11.738  -7.882
   56    HG2  PRO   8           HG2      PRO   8   9.946   8.871  -7.350
   57    HG3  PRO   8           HG3      PRO   8   8.841   9.900  -6.377
   58    HD2  PRO   8           HD2      PRO   8   7.929   8.097  -8.199
   59    HD3  PRO   8           HD3      PRO   8   7.100   9.653  -7.944
   60    H    LYS   9           H        LYS   9  11.517  11.716 -10.497
   61    HA   LYS   9           HA       LYS   9  12.826   9.372 -11.724
   62    HB2  LYS   9           HB2      LYS   9  12.816  12.377 -12.108
   63    HB3  LYS   9           HB3      LYS   9  14.195  11.460 -12.629
   64    HG2  LYS   9           HG2      LYS   9  12.734  11.784 -14.510
   65    HG3  LYS   9           HG3      LYS   9  12.760  10.065 -14.105
   66    HD2  LYS   9           HD2      LYS   9  10.564  10.243 -13.028
   67    HD3  LYS   9           HD3      LYS   9  10.567  12.009 -13.249
   68    HE2  LYS   9           HE2      LYS   9  10.600  11.654 -15.723
   69    HE3  LYS   9           HE3      LYS   9  10.569   9.903 -15.459
   70    HZ1  LYS   9           HZ3      LYS   9   8.426  10.217 -14.318
   71    HZ2  LYS   9           HZ1      LYS   9   8.364  10.716 -15.880
   72    HZ3  LYS   9           HZ2      LYS   9   8.451  11.815 -14.674
   73    HA   HYP  10           HA       HYP  10  15.876   9.393  -8.587
   74    HG   HYP  10           HG       HYP  10  17.565   8.933 -12.058
   75    HB2  HYP  10           HB2      HYP  10  18.122   8.420  -9.805
   76    HB3  HYP  10           HB3      HYP  10  16.634   7.477  -9.582
   77   HD22  HYP  10          HD3       HYP  10  14.668   8.199 -11.868
   78   HD23  HYP  10          HD2       HYP  10  15.467   9.610 -12.620
   79    HD1  HYP  10           HOD      HYP  10  16.185   6.476 -11.615
   80    H    ASN  11           H        ASN  11  18.300  10.244 -10.997
   81    HA   ASN  11           HA       ASN  11  19.245  12.447  -9.370
   82    HB2  ASN  11           HB2      ASN  11  21.156  12.427 -10.729
   83    HB3  ASN  11           HB3      ASN  11  20.731  10.749 -10.444
   84   HD21  ASN  11          1HD2      ASN  11  22.176  12.413 -12.723
   85   HD22  ASN  11          2HD2      ASN  11  21.475  11.729 -14.187
   86    H    SER  12           H        SER  12  16.761  13.102 -10.207
   87    HA   SER  12           HA       SER  12  16.510  14.453 -12.662
   88    HG   SER  12           HG       SER  12  13.259  15.344 -11.545
   89    HB2  SER  12           HB2      SER  12  14.704  13.625 -11.061
   90    HB3  SER  12           HB3      SER  12  15.015  15.062 -10.080
   91    H    DPN  13           H        DPN  13  17.714  15.505  -9.605
   92    HA   DPN  13           HA       DPN  13  18.814  17.287  -8.786
   93    HD1  DPN  13           HD1      DPN  13  17.692  19.160  -7.019
   94    HD2  DPN  13           HD2      DPN  13  14.880  17.561  -9.874
   95    HE1  DPN  13           HE1      DPN  13  16.074  18.729  -5.190
   96    HE2  DPN  13           HE2      DPN  13  13.275  17.117  -8.039
   97    HZ   DPN  13           HZ       DPN  13  13.861  17.709  -5.693
   98    HB2  DPN  13           HB2      DPN  13  16.892  18.727 -10.635
   99    HB3  DPN  13           HB3      DPN  13  17.965  19.512  -9.512
  100    H    TRP  14           H        TRP  14  19.579  16.217 -11.652
  101    HA   TRP  14           HA       TRP  14  21.924  17.976 -11.954
  102    HD1  TRP  14           HD1      TRP  14  20.825  14.925  -9.996
  103    HE1  TRP  14           HE1      TRP  14  22.504  14.268  -8.194
  104    HE3  TRP  14           HE3      TRP  14  25.105  16.040 -12.508
  105    HZ2  TRP  14           HZ2      TRP  14  25.401  14.216  -7.883
  106    HZ3  TRP  14           HZ3      TRP  14  27.334  15.691 -11.444
  107    HH2  TRP  14           HH2      TRP  14  27.484  14.777  -9.135
  108    HB2  TRP  14           HB2      TRP  14  21.274  15.136 -12.855
  109    HB3  TRP  14           HB3      TRP  14  22.773  15.990 -13.198
  110    H    THR  15           H        THR  15  18.900  17.932 -13.307
  111    HA   THR  15           HA       THR  15  19.810  19.130 -15.795
  112    HB   THR  15           HB       THR  15  19.813  16.641 -16.149
  113    HG1  THR  15           HG1      THR  15  19.649  17.877 -17.934
  114   HG21  THR  15          3HG2      THR  15  17.916  15.929 -14.817
  115   HG22  THR  15          1HG2      THR  15  17.703  15.444 -16.502
  116   HG23  THR  15          2HG2      THR  15  16.794  16.829 -15.860
  Start of MODEL   19
    1    HA   ASP   1           HA       ASP   1  -1.071  -0.191  -2.040
    2    H1   ASP   1           H1       ASP   1  -3.242   0.096  -3.988
    3    H2   ASP   1           H2       ASP   1  -3.304   0.455  -2.395
    4    H3   ASP   1           H3       ASP   1  -3.145  -1.116  -2.877
    5    HB2  ASP   1           HB2      ASP   1  -1.148  -1.015  -4.969
    6    HB3  ASP   1           HB3      ASP   1   0.338  -0.822  -4.031
    7    H    TRP   2           H        TRP   2   0.753   1.244  -2.493
    8    HA   TRP   2           HA       TRP   2  -0.199   3.888  -3.246
    9    HD1  TRP   2           HD1      TRP   2   1.945   1.189  -0.505
   10    HE1  TRP   2           HE1      TRP   2   4.286   0.183  -0.619
   11    HE3  TRP   2           HE3      TRP   2   4.140   4.687  -3.488
   12    HZ2  TRP   2           HZ2      TRP   2   6.835   0.807  -1.924
   13    HZ3  TRP   2           HZ3      TRP   2   6.519   4.454  -4.187
   14    HH2  TRP   2           HH2      TRP   2   7.865   2.500  -3.389
   15    HB2  TRP   2           HB2      TRP   2   1.899   4.627  -2.176
   16    HB3  TRP   2           HB3      TRP   2   0.942   3.594  -1.138
   17    H    GLU   3           H        GLU   3   0.069   2.093  -5.391
   18    HA   GLU   3           HA       GLU   3   2.487   2.688  -6.901
   19    HB2  GLU   3           HB2      GLU   3   1.226   0.541  -7.078
   20    HB3  GLU   3           HB3      GLU   3  -0.098   1.437  -7.813
   21    HG2  GLU   3           HG2      GLU   3   1.181   0.379  -9.563
   22    HG3  GLU   3           HG3      GLU   3   1.404   2.116  -9.689
   23    H    TYR   4           H        TYR   4   2.785   4.414  -8.239
   24    HA   TYR   4           HA       TYR   4   0.505   6.273  -8.727
   25    HD1  TYR   4           HD2      TYR   4   0.456   7.735  -6.762
   26    HD2  TYR   4           HD1      TYR   4   2.965   9.442  -9.826
   27    HE1  TYR   4           HE2      TYR   4  -0.677   9.916  -6.468
   28    HE2  TYR   4           HE1      TYR   4   1.835  11.625  -9.550
   29    HH   TYR   4           HH       TYR   4  -0.813  12.135  -7.163
   30    HB2  TYR   4           HB2      TYR   4   2.944   6.818  -7.582
   31    HB3  TYR   4           HB3      TYR   4   3.210   7.186  -9.292
   32    H    HIS   5           H        HIS   5   1.066   7.642 -10.733
   33    HA   HIS   5           HA       HIS   5   1.369   5.793 -13.061
   34    HD1  HIS   5           HD1      HIS   5   0.083   7.615 -16.167
   35    HD2  HIS   5           HD2      HIS   5  -1.727   5.128 -13.267
   36    HE1  HIS   5           HE1      HIS   5  -1.257   5.847 -17.453
   37    HE2  HIS   5           HE2      HIS   5  -2.357   4.338 -15.688
   38    HB2  HIS   5           HB2      HIS   5  -0.706   7.592 -12.465
   39    HB3  HIS   5           HB3      HIS   5   0.243   8.461 -13.647
   40    H    ALA   6           H        ALA   6   1.829   9.255 -12.262
   41    HA   ALA   6           HA       ALA   6   4.262   9.368 -13.946
   42    HB1  ALA   6           HB3      ALA   6   4.002  11.812 -13.699
   43    HB2  ALA   6           HB1      ALA   6   2.484  11.081 -14.260
   44    HB3  ALA   6           HB2      ALA   6   2.666  11.577 -12.555
   45    H    HIS   7           H        HIS   7   4.939   7.810 -12.059
   46    HA   HIS   7           HA       HIS   7   5.782   8.771  -9.619
   47    HD1  HIS   7           HD1      HIS   7   7.856   7.117 -12.991
   48    HD2  HIS   7           HD2      HIS   7   4.939   4.646 -11.186
   49    HE1  HIS   7           HE1      HIS   7   7.021   5.517 -14.808
   50    HE2  HIS   7           HE2      HIS   7   5.294   3.977 -13.692
   51    HB2  HIS   7           HB2      HIS   7   7.560   6.853  -9.963
   52    HB3  HIS   7           HB3      HIS   7   5.882   6.535  -9.637
   53    HA   PRO   8           HA       PRO   8   9.072  11.481 -10.340
   54    HB2  PRO   8           HB2      PRO   8  10.742  11.064  -8.197
   55    HB3  PRO   8           HB3      PRO   8   9.102  11.773  -8.049
   56    HG2  PRO   8           HG2      PRO   8  10.008   8.911  -7.609
   57    HG3  PRO   8           HG3      PRO   8   8.957   9.918  -6.555
   58    HD2  PRO   8           HD2      PRO   8   7.941   8.126  -8.323
   59    HD3  PRO   8           HD3      PRO   8   7.121   9.678  -8.019
   60    H    LYS   9           H        LYS   9  11.221  11.876 -10.898
   61    HA   LYS   9           HA       LYS   9  12.614   9.690 -12.268
   62    HB2  LYS   9           HB2      LYS   9  12.661  12.705 -12.164
   63    HB3  LYS   9           HB3      LYS   9  14.107  11.884 -12.691
   64    HG2  LYS   9           HG2      LYS   9  12.866  12.558 -14.600
   65    HG3  LYS   9           HG3      LYS   9  12.890  10.806 -14.544
   66    HD2  LYS   9           HD2      LYS   9  10.530  12.366 -13.427
   67    HD3  LYS   9           HD3      LYS   9  10.687  12.154 -15.160
   68    HE2  LYS   9           HE2      LYS   9  10.608   9.826 -13.192
   69    HE3  LYS   9           HE3      LYS   9   9.193  10.483 -14.009
   70    HZ1  LYS   9           HZ3      LYS   9  10.202   9.916 -16.126
   71    HZ2  LYS   9           HZ1      LYS   9  10.068   8.587 -15.189
   72    HZ3  LYS   9           HZ2      LYS   9  11.526   9.294 -15.390
   73    HA   HYP  10           HA       HYP  10  15.560   9.191  -9.026
   74    HG   HYP  10           HG       HYP  10  17.325   9.036 -12.507
   75    HB2  HYP  10           HB2      HYP  10  17.766   8.233 -10.301
   76    HB3  HYP  10           HB3      HYP  10  16.218   7.361 -10.245
   77   HD22  HYP  10          HD3       HYP  10  14.393   8.481 -12.503
   78   HD23  HYP  10          HD2       HYP  10  15.297   9.942 -13.000
   79    HD1  HYP  10           HOD      HYP  10  17.374   6.798 -12.736
   80    H    ASN  11           H        ASN  11  18.134  10.141 -11.222
   81    HA   ASN  11           HA       ASN  11  19.039  12.202  -9.395
   82    HB2  ASN  11           HB2      ASN  11  21.031  12.216 -10.651
   83    HB3  ASN  11           HB3      ASN  11  20.558  10.538 -10.446
   84   HD21  ASN  11          1HD2      ASN  11  22.168  12.231 -12.588
   85   HD22  ASN  11          2HD2      ASN  11  21.525  11.622 -14.111
   86    H    SER  12           H        SER  12  16.668  13.046 -10.256
   87    HA   SER  12           HA       SER  12  16.524  14.508 -12.653
   88    HG   SER  12           HG       SER  12  13.327  15.555 -11.503
   89    HB2  SER  12           HB2      SER  12  14.664  13.733 -11.071
   90    HB3  SER  12           HB3      SER  12  15.062  15.121 -10.053
   91    H    DPN  13           H        DPN  13  17.778  15.355  -9.557
   92    HA   DPN  13           HA       DPN  13  18.982  17.023  -8.653
   93    HD1  DPN  13           HD1      DPN  13  17.836  18.562  -6.794
   94    HD2  DPN  13           HD2      DPN  13  15.056  17.904 -10.029
   95    HE1  DPN  13           HE1      DPN  13  16.019  18.152  -5.155
   96    HE2  DPN  13           HE2      DPN  13  13.245  17.496  -8.386
   97    HZ   DPN  13           HZ       DPN  13  13.719  17.622  -5.946
   98    HB2  DPN  13           HB2      DPN  13  17.270  18.691 -10.504
   99    HB3  DPN  13           HB3      DPN  13  18.303  19.315  -9.247
  100    H    TRP  14           H        TRP  14  19.665  16.036 -11.585
  101    HA   TRP  14           HA       TRP  14  22.071  17.725 -11.898
  102    HD1  TRP  14           HD1      TRP  14  20.846  14.558  -9.797
  103    HE1  TRP  14           HE1      TRP  14  22.351  14.200  -7.765
  104    HE3  TRP  14           HE3      TRP  14  25.238  16.196 -11.798
  105    HZ2  TRP  14           HZ2      TRP  14  25.156  14.581  -7.086
  106    HZ3  TRP  14           HZ3      TRP  14  27.324  16.208 -10.440
  107    HH2  TRP  14           HH2      TRP  14  27.290  15.399  -8.087
  108    HB2  TRP  14           HB2      TRP  14  21.490  14.790 -12.500
  109    HB3  TRP  14           HB3      TRP  14  23.006  15.620 -12.820
  110    H    THR  15           H        THR  15  19.127  17.127 -13.389
  111    HA   THR  15           HA       THR  15  19.989  17.100 -16.168
  112    HB   THR  15           HB       THR  15  17.265  17.744 -14.964
  113    HG1  THR  15           HG1      THR  15  16.842  15.563 -15.255
  114   HG21  THR  15          3HG2      THR  15  18.073  16.799 -17.759
  115   HG22  THR  15          1HG2      THR  15  17.454  18.410 -17.337
  116   HG23  THR  15          2HG2      THR  15  16.404  16.998 -17.175
  Start of MODEL   20
    1    HA   ASP   1           HA       ASP   1  -1.025   0.152  -1.753
    2    H1   ASP   1           H1       ASP   1  -3.426   1.052  -3.173
    3    H2   ASP   1           H2       ASP   1  -3.092   1.261  -1.586
    4    H3   ASP   1           H3       ASP   1  -3.374  -0.256  -2.174
    5    HB2  ASP   1           HB2      ASP   1  -1.856  -0.356  -4.636
    6    HB3  ASP   1           HB3      ASP   1  -0.210  -0.558  -4.028
    7    H    TRP   2           H        TRP   2   0.926   1.264  -2.449
    8    HA   TRP   2           HA       TRP   2   0.393   4.082  -2.986
    9    HD1  TRP   2           HD1      TRP   2   2.386   0.886  -0.692
   10    HE1  TRP   2           HE1      TRP   2   4.499  -0.462  -1.164
   11    HE3  TRP   2           HE3      TRP   2   4.732   4.190  -3.784
   12    HZ2  TRP   2           HZ2      TRP   2   6.938  -0.152  -2.755
   13    HZ3  TRP   2           HZ3      TRP   2   6.947   3.640  -4.787
   14    HH2  TRP   2           HH2      TRP   2   8.044   1.456  -4.259
   15    HB2  TRP   2           HB2      TRP   2   2.700   4.392  -2.201
   16    HB3  TRP   2           HB3      TRP   2   1.741   3.475  -1.061
   17    H    GLU   3           H        GLU   3   0.051   2.303  -5.148
   18    HA   GLU   3           HA       GLU   3   2.289   2.585  -7.006
   19    HB2  GLU   3           HB2      GLU   3   0.786   0.611  -6.947
   20    HB3  GLU   3           HB3      GLU   3  -0.532   1.644  -7.499
   21    HG2  GLU   3           HG2      GLU   3   0.723   2.164  -9.576
   22    HG3  GLU   3           HG3      GLU   3   2.076   1.181  -9.012
   23    H    TYR   4           H        TYR   4   2.655   4.420  -8.149
   24    HA   TYR   4           HA       TYR   4   0.414   6.311  -8.689
   25    HD1  TYR   4           HD2      TYR   4   0.303   7.760  -6.705
   26    HD2  TYR   4           HD1      TYR   4   2.932   9.469  -9.666
   27    HE1  TYR   4           HE2      TYR   4  -0.826   9.950  -6.441
   28    HE2  TYR   4           HE1      TYR   4   1.810  11.655  -9.420
   29    HH   TYR   4           HH       TYR   4   0.139  12.860  -8.332
   30    HB2  TYR   4           HB2      TYR   4   2.814   6.826  -7.442
   31    HB3  TYR   4           HB3      TYR   4   3.148   7.208  -9.135
   32    H    HIS   5           H        HIS   5   1.078   7.665 -10.675
   33    HA   HIS   5           HA       HIS   5   1.499   5.805 -12.977
   34    HD1  HIS   5           HD1      HIS   5   0.302   7.564 -16.145
   35    HD2  HIS   5           HD2      HIS   5  -1.583   5.091 -13.283
   36    HE1  HIS   5           HE1      HIS   5  -0.967   5.764 -17.458
   37    HE2  HIS   5           HE2      HIS   5  -2.114   4.262 -15.714
   38    HB2  HIS   5           HB2      HIS   5  -0.626   7.577 -12.476
   39    HB3  HIS   5           HB3      HIS   5   0.355   8.445 -13.631
   40    H    ALA   6           H        ALA   6   1.871   9.280 -12.173
   41    HA   ALA   6           HA       ALA   6   4.349   9.455 -13.770
   42    HB1  ALA   6           HB3      ALA   6   2.573  11.172 -14.056
   43    HB2  ALA   6           HB1      ALA   6   2.715  11.605 -12.330
   44    HB3  ALA   6           HB2      ALA   6   4.074  11.887 -13.436
   45    H    HIS   7           H        HIS   7   4.983   7.827 -11.928
   46    HA   HIS   7           HA       HIS   7   5.795   8.669  -9.437
   47    HD1  HIS   7           HD1      HIS   7   7.982   7.304 -12.838
   48    HD2  HIS   7           HD2      HIS   7   5.124   4.589 -11.310
   49    HE1  HIS   7           HE1      HIS   7   7.297   5.787 -14.783
   50    HE2  HIS   7           HE2      HIS   7   5.604   4.102 -13.838
   51    HB2  HIS   7           HB2      HIS   7   7.585   6.793  -9.837
   52    HB3  HIS   7           HB3      HIS   7   5.903   6.427  -9.610
   53    HA   PRO   8           HA       PRO   8   9.139  11.381  -9.981
   54    HB2  PRO   8           HB2      PRO   8  10.786  10.810  -7.849
   55    HB3  PRO   8           HB3      PRO   8   9.172  11.574  -7.687
   56    HG2  PRO   8           HG2      PRO   8   9.973   8.667  -7.356
   57    HG3  PRO   8           HG3      PRO   8   8.937   9.662  -6.278
   58    HD2  PRO   8           HD2      PRO   8   7.898   7.973  -8.137
   59    HD3  PRO   8           HD3      PRO   8   7.119   9.533  -7.774
   60    H    LYS   9           H        LYS   9  11.333  11.729 -10.512
   61    HA   LYS   9           HA       LYS   9  12.668   9.474 -11.866
   62    HB2  LYS   9           HB2      LYS   9  12.591  12.483 -12.080
   63    HB3  LYS   9           HB3      LYS   9  14.055  11.676 -12.567
   64    HG2  LYS   9           HG2      LYS   9  12.652  12.043 -14.495
   65    HG3  LYS   9           HG3      LYS   9  12.839  10.311 -14.206
   66    HD2  LYS   9           HD2      LYS   9  10.568  10.168 -13.284
   67    HD3  LYS   9           HD3      LYS   9  10.415  11.928 -13.306
   68    HE2  LYS   9           HE2      LYS   9   9.173  11.025 -15.161
   69    HE3  LYS   9           HE3      LYS   9  10.556  11.934 -15.776
   70    HZ1  LYS   9           HZ3      LYS   9  10.250   9.837 -16.930
   71    HZ2  LYS   9           HZ1      LYS   9  10.425   8.983 -15.550
   72    HZ3  LYS   9           HZ2      LYS   9  11.689   9.833 -16.162
   73    HA   HYP  10           HA       HYP  10  15.791   9.343  -8.776
   74    HG   HYP  10           HG       HYP  10  17.423   9.097 -12.293
   75    HB2  HYP  10           HB2      HYP  10  17.989   8.410 -10.078
   76    HB3  HYP  10           HB3      HYP  10  16.485   7.475  -9.920
   77   HD22  HYP  10          HD3       HYP  10  14.527   8.338 -12.118
   78   HD23  HYP  10          HD2       HYP  10  15.302   9.809 -12.777
   79    HD1  HYP  10           HOD      HYP  10  16.659   7.280 -13.379
   80    H    ASN  11           H        ASN  11  18.271  10.265 -11.078
   81    HA   ASN  11           HA       ASN  11  19.124  12.437  -9.371
   82    HB2  ASN  11           HB2      ASN  11  21.107  12.430 -10.624
   83    HB3  ASN  11           HB3      ASN  11  20.659  10.751 -10.387
   84   HD21  ASN  11          1HD2      ASN  11  22.203  12.487 -12.570
   85   HD22  ASN  11          2HD2      ASN  11  21.592  11.806 -14.075
   86    H    SER  12           H        SER  12  16.699  13.132 -10.324
   87    HA   SER  12           HA       SER  12  16.578  14.537 -12.758
   88    HG   SER  12           HG       SER  12  14.132  15.132 -12.949
   89    HB2  SER  12           HB2      SER  12  14.675  13.721 -11.266
   90    HB3  SER  12           HB3      SER  12  14.990  15.106 -10.217
   91    H    DPN  13           H        DPN  13  17.668  15.513  -9.636
   92    HA   DPN  13           HA       DPN  13  18.753  17.266  -8.734
   93    HD1  DPN  13           HD1      DPN  13  14.856  17.685 -10.078
   94    HD2  DPN  13           HD2      DPN  13  17.536  19.020  -6.968
   95    HE1  DPN  13           HE1      DPN  13  13.113  17.228  -8.376
   96    HE2  DPN  13           HE2      DPN  13  15.783  18.571  -5.270
   97    HZ   DPN  13           HZ       DPN  13  13.568  17.674  -5.968
   98    HB2  DPN  13           HB2      DPN  13  16.954  18.771 -10.651
   99    HB3  DPN  13           HB3      DPN  13  17.961  19.509  -9.435
  100    H    TRP  14           H        TRP  14  19.622  16.240 -11.585
  101    HA   TRP  14           HA       TRP  14  21.979  17.995 -11.808
  102    HD1  TRP  14           HD1      TRP  14  20.831  14.924  -9.931
  103    HE1  TRP  14           HE1      TRP  14  22.473  14.215  -8.113
  104    HE3  TRP  14           HE3      TRP  14  25.163  16.039 -12.352
  105    HZ2  TRP  14           HZ2      TRP  14  25.369  14.129  -7.755
  106    HZ3  TRP  14           HZ3      TRP  14  27.370  15.650 -11.259
  107    HH2  TRP  14           HH2      TRP  14  27.476  14.694  -8.964
  108    HB2  TRP  14           HB2      TRP  14  21.335  15.176 -12.777
  109    HB3  TRP  14           HB3      TRP  14  22.843  16.030 -13.078
  110    H    THR  15           H        THR  15  18.981  17.900 -13.226
  111    HA   THR  15           HA       THR  15  19.870  19.207 -15.661
  112    HB   THR  15           HB       THR  15  20.121  16.836 -16.183
  113    HG1  THR  15           HG1      THR  15  19.131  16.906 -18.129
  114   HG21  THR  15          3HG2      THR  15  18.426  15.780 -14.791
  115   HG22  THR  15          1HG2      THR  15  18.242  15.312 -16.482
  116   HG23  THR  15          2HG2      THR  15  17.130  16.497 -15.768