*HEADER    SIGNALING PROTEIN                       29-NOV-11   2LMB              
*TITLE     SOLUTION STRUCTURE OF C-TERMINAL RAGE (CTRAGE)                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RECEPTOR FOR ADVANCED GLYCOSYLATION END PRODUCTS;          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 363-376;                                      
*COMPND   5 SYNONYM: ADVANCED GLYCOSYLATION END PRODUCT-SPECIFIC RECEPTOR;       
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: AGER, RAGE;                                                    
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PTM                                        
*KEYWDS    SIGNAL TRANSDUCTION RECEPTOR, CYTOSOLIC TAIL, SIGNALING PROTEIN       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    V.RAI, A.Y.MALDONADO, D.S.BURZ, S.REVERDATTO, A.SCHMIDT, A.SHEKHTMAN  
*REVDAT   1   21-DEC-11 2LMB    0                                                


  7 ARG  HA     11 GLU  H       7.50            #peak     1
 20 GLU  HA     21 GLU  HA      5.50            #peak     6
 23 GLU  QB     24 ARG  H       4.48            #peak   117
 14 ALA  H      14 ALA  QB      3.50            #peak    13
  6 GLN  HA      7 ARG  HB3     6.50            #peak    33
 13 LYS  HA     13 LYS  QD      5.50            #peak    54
 12 ARG  HA     13 LYS  HA      5.50            #peak    57
  4 ARG  HA      5 ARG  HA      5.50            #peak    70
 21 GLU  HA     22 GLU  QG      5.50            #peak    74
 22 GLU  H      22 GLU  HA      2.94            #peak    79
  4 ARG  H       4 ARG  HB2     3.89            #peak   108
  4 ARG  HA      4 ARG  QD      5.50            #peak   115
  3 GLN  HA      4 ARG  HA      5.50            #peak   116
  4 ARG  HA      5 ARG  H       4.32            #peak    71
 23 GLU  HA     24 ARG  HA      5.50            #peak   119
 24 ARG  HA     24 ARG  QD      5.50            #peak   124
  5 ARG  HA      6 GLN  HA      5.50            #peak   126
 10 GLU  HA     11 GLU  HA      5.50            #peak   155
 18 GLN  HA     19 GLU  HA      5.50            #peak   163
 18 GLN  HA     19 GLU  QG      5.50            #peak   169
 19 GLU  H      19 GLU  QG      3.91            #peak   165
 20 GLU  HA     21 GLU  HB3     5.50            #peak   179
 20 GLU  HA     21 GLU  HB2     5.50            #peak   186
 20 GLU  HA     21 GLU  QG      5.50            #peak   192
 21 GLU  H      21 GLU  QG      4.16            #peak   173
  9 GLY  H       5 ARG   O      2.00  #peak   298
  9 GLY  N       5 ARG   O      3.00  #peak   293
  5 ARG  H      11 GLU   O      2.00  #peak   291
  5 ARG  N      11 GLU   O      3.00  #peak   290
  3 GLN  H       4 ARG   H      4.07  #peak   299
  3 GLN  H       4 ARG  HB2     6.00  #peak   280
  3 GLN  H       5 ARG  H       4.79  #peak   281
  3 GLN  H       5 ARG  HB2     5.91  #peak   285
  3 GLN  H       6 GLN  H       5.47  #peak   288
  3 GLN  HA      4 ARG  H       5.60  #peak   260
  3 GLN  HA      6 GLN  H       5.70  #peak   261
  3 GLN  HA      6 GLN  HB2     5.12  #peak   272
  3 GLN  HA      6 GLN  HG3     5.91  #peak   271
  3 GLN  HA      7 ARG  HE      5.79  #peak   275
  3 GLN  HB2     4 ARG  H       4.71  #peak   277
  3 GLN  HB2     4 ARG  HG3     5.64  #peak   294
  3 GLN  HB3     4 ARG  H       5.65  #peak   295
  3 GLN  HB3     7 ARG  HE      4.59  #peak   250
  4 ARG  H       5 ARG  H       4.60  #peak   259
  4 ARG  HA      5 ARG  H       5.60  #peak   344
  4 ARG  HA      7 ARG  H       5.64  #peak   354
  4 ARG  HA      7 ARG  HB2     5.06  #peak   355
  4 ARG  HA      7 ARG  HG3     5.91  #peak   357
  4 ARG  HA      7 ARG  HD2     4.38  #peak   359
  4 ARG  HA      7 ARG  HE      5.87  #peak   366
  4 ARG  HB2     5 ARG  H       4.61  #peak   368
  4 ARG  HB2     5 ARG  HG3     5.55  #peak   369
  4 ARG  HB3     5 ARG  H       5.58  #peak   370
  4 ARG  HB3     8 ARG  HD2     5.87  #peak   381
  4 ARG  HG2     7 ARG  HD2     5.87  #peak   388
  5 ARG  H       6 GLN  H       4.79  #peak   389
  5 ARG  HA      6 GLN  H       5.57  #peak   412
  5 ARG  HA      8 ARG  H       5.22  #peak   411
  5 ARG  HA      8 ARG  HB2     4.60  #peak   401
  5 ARG  HA      8 ARG  HG3     5.48  #peak   399
  5 ARG  HA      8 ARG  HD2     4.90  #peak   398
  5 ARG  HA     10 GLU  H       5.94  #peak   396
  5 ARG  HA     10 GLU  HB2     4.95  #peak   388
  5 ARG  HB2     6 GLN  H       4.84  #peak   381
  5 ARG  HB2     6 GLN  HG3     5.71  #peak   386
  5 ARG  HB2    10 GLU  HB2     5.83  #peak   387
  5 ARG  HB3     6 GLN  H       5.72  #peak   377
  5 ARG  HB3    10 GLU  H       5.78  #peak   378
  5 ARG  HB3    10 GLU  HB2     4.10  #peak   379
  5 ARG  HB3    10 GLU  HB3     5.19  #peak   437
  5 ARG  HG2     8 ARG  HD2     5.86  #peak   434
  5 ARG  HG2    10 GLU  HB2     5.41  #peak   433
  5 ARG  HD3    12 ARG  HA      5.15  #peak   422
  5 ARG  HE     10 GLU  HB2     5.47  #peak   421
  5 ARG  HE     10 GLU  HB3     5.05  #peak   419
  5 ARG  HE     11 GLU  H       5.32  #peak   418
  5 ARG  HE     12 ARG  HA      5.90  #peak   416
  6 GLN  H       7 ARG  H       4.61  #peak   415
  6 GLN  H       8 ARG  H       5.97  #peak   441
  6 GLN  HA      7 ARG  H       5.56  #peak   403
  6 GLN  HA      8 ARG  H       6.00  #peak   401
  6 GLN  HA      9 GLY  H       5.66  #peak   355
  6 GLN  HA     10 GLU  H       4.98  #peak   356
  6 GLN  HB2     7 ARG  H       4.82  #peak   348
  6 GLN  HB2     7 ARG  HG3     5.45  #peak   344
  6 GLN  HB3     7 ARG  H       5.77  #peak   532
  7 ARG  H       8 ARG  H       4.52  #peak   452
  7 ARG  HA      8 ARG  H       5.49  #peak   447
  7 ARG  HA      9 GLY  H       5.51  #peak   445
  7 ARG  HB2     8 ARG  H       4.98  #peak   440
  7 ARG  HB2     8 ARG  HG3     5.28  #peak   368
  7 ARG  HB3     8 ARG  H       5.91  #peak   367
  8 ARG  H       9 GLY  H       4.60  #peak   357
  8 ARG  H      10 GLU  H       5.40  #peak   356
  8 ARG  HA      9 GLY  H       5.17  #peak   342
  8 ARG  HB2     9 GLY  H       5.80  #peak   274
  8 ARG  HB2    10 GLU  H       5.36  #peak   203
  8 ARG  HB2    10 GLU  HB2     5.36  #peak   452
  8 ARG  HB2    10 GLU  HG3     4.86  #peak   332
  8 ARG  HB3    10 GLU  HG3     5.08  #peak   331
  9 GLY  H      10 GLU  H       4.69  #peak   334
  9 GLY  HA2    10 GLU  H       4.99  #peak   432
  9 GLY  HA3    10 GLU  H       5.52  #peak   465
 10 GLU  HA     11 GLU  H       4.54  #peak   457
 10 GLU  HA     11 GLU  HG3     7.57  #peak   654
 10 GLU  HB2    11 GLU  H       5.44  #peak   458
 10 GLU  HB3    11 GLU  H       4.26  #peak   442
 11 GLU  HA     12 ARG  H       4.36  #peak   441
 11 GLU  HB2    12 ARG  H       5.68  #peak   333
 11 GLU  HB3    12 ARG  H       4.31  #peak   231
 11 GLU  HB3    12 ARG  HB2     6.00  #peak   221
 11 GLU  HG2    12 ARG  H       5.63  #peak   344
 11 GLU  QG     12 ARG  HE      6.00  #peak   443
 11 GLU  HG2    12 ARG  QG      6.63  #peak   241
 10 GLU  HA     11 GLU  HB3     5.50            #peak   299
 10 GLU  HA     11 GLU  HB2     5.50            #peak   204
 17 ASN  HA     18 GLN  HB2     5.50            #peak   216
 18 GLN  H      18 GLN  HB2     3.96            #peak   189
 25 ALA  HA     26 GLU  QG      5.50            #peak   226
 24 ARG  H      26 GLU  QG      4.77            #peak   120
 26 GLU  H      26 GLU  QG      4.37            #peak   226
 37 GLU  HA     38 SER  QB      5.50            #peak   240
 29 GLN  HA     30 SER  QB      5.50            #peak   254
 30 SER  H      30 SER  QB      3.95            #peak   264
 35 ALA  HA     36 GLY  QA      5.50            #peak   259
 36 GLY  QA     37 GLU  QG      5.50            #peak   272
 10 GLU  H      10 GLU  QG      4.12            #peak   205
 10 GLU  QG     17 ASN  H       4.67            #peak   257
 34 GLU  HA     35 ALA  QB      5.50            #peak   287
 24 ARG  HA     25 ALA  HA      5.50            #peak   289
 24 ARG  HA     25 ALA  QB      5.50            #peak   293
 25 ALA  H      25 ALA  QB      3.75            #peak    26
  1 MET  H       1 MET  HB3     4.15            #peak    56
 19 GLU  HA     20 GLU  QB      5.50            #peak   334
 20 GLU  H      20 GLU  QB      3.25            #peak   137
 19 GLU  HA     20 GLU  QG      5.50            #peak   339
 20 GLU  H      20 GLU  QG      3.73            #peak   138
 31 GLU  HA     32 GLU  QB      5.50            #peak   345
 34 GLU  HB3    35 ALA  H       5.03            #peak    19
 34 GLU  H      34 GLU  HB2     4.15            #peak   157
 18 GLN  HA     19 GLU  HB3     5.50            #peak   378
 19 GLU  H      19 GLU  HB3     4.00            #peak   167
 18 GLN  HA     19 GLU  HB2     5.50            #peak   384
 17 ASN  HA     18 GLN  HB3     5.50            #peak   394
 25 ALA  HA     26 GLU  HB2     5.50            #peak   433
 25 ALA  HA     26 GLU  HB3     5.50            #peak   442
 16 GLU  HB3    17 ASN  H       4.35            #peak   258
  4 ARG  HA      5 ARG  QG      5.50            #peak   462
  4 ARG  HA      5 ARG  QB      5.50            #peak   469
 11 GLU  HA     12 ARG  QG      5.50            #peak   479
 11 GLU  HA     12 ARG  HB3     6.50            #peak   486
 11 GLU  HA     12 ARG  HB2     6.50            #peak   495
 11 GLU  HA     12 ARG  QD      5.50            #peak   502
 12 ARG  HA     12 ARG  QD      5.50            #peak   507
 12 ARG  H      12 ARG  QD      5.46            #peak   133
 23 GLU  HA     24 ARG  QG      5.50            #peak   523
 23 GLU  HA     24 ARG  HB3     5.50            #peak   531
 23 GLU  HA     24 ARG  HB2     5.50            #peak   539
 24 ARG  H      24 ARG  HB2     4.18            #peak   124
  8 ARG  H       8 ARG  HB3     4.20            #peak    34
 27 LEU  HA     27 LEU  QQD     5.50            #peak   593
 26 GLU  HA     27 LEU  QQD     5.50            #peak   595
 26 GLU  HA     27 LEU  HG      5.50            #peak   604
  7 ARG  HA      8 ARG  HA      5.50            #peak   612
  8 ARG  HA      8 ARG  QD      5.50            #peak   615
 34 GLU  HA     35 ALA  HA      5.50            #peak   619
  6 GLN  HA      7 ARG  HA      5.50            #peak   627
  7 ARG  HA      7 ARG  QD      5.50            #peak   629
  2 TRP  HA      3 GLN  HA      5.50            #peak   632
 26 GLU  HA     27 LEU  HA      5.50            #peak   641
 11 GLU  HA     12 ARG  HA      5.50            #peak   643
 19 GLU  HA     20 GLU  HA      5.50            #peak   650
 31 GLU  HA     32 GLU  HA      5.50            #peak   655
 36 GLY  QA     37 GLU  HA      5.50            #peak   666
 28 ASN  HA     29 GLN  HA      5.50            #peak   681
 25 ALA  HA     26 GLU  HA      5.50            #peak   690
 37 GLU  HA     38 SER  HA      5.50            #peak   704
  7 ARG  HA      8 ARG  QG      5.50            #peak   733
  6 GLN  HA      7 ARG  QG      5.50            #peak   756
  7 ARG  HA      8 ARG  HB2     5.50            #peak   770
 14 ALA  HA     16 GLU  H       5.06            #peak     5
 23 GLU  H      23 GLU  QB      3.49            #peak     6
 23 GLU  H      23 GLU  QG      4.30            #peak     7
 13 LYS  HA     14 ALA  H       3.31            #peak    14
 35 ALA  H      35 ALA  QB      3.86            #peak    18
 34 GLU  HB2    35 ALA  H       5.03            #peak    20
 34 GLU  HA     35 ALA  H       3.36            #peak    21
 24 ARG  HA     25 ALA  H       3.31            #peak    24
 24 ARG  QG     25 ALA  H       4.90            #peak    28
  8 ARG  H       8 ARG  HB2     4.20            #peak    36
  8 ARG  H       8 ARG  QG      4.16            #peak    37
  8 ARG  H       8 ARG  QD      4.85            #peak    38
  7 ARG  HA      8 ARG  H       3.43            #peak    40
  1 MET  H       1 MET  QG      4.50            #peak    54
  1 MET  H       1 MET  HB2     4.15            #peak    57
 13 LYS  H      13 LYS  QB      3.84            #peak    64
 13 LYS  H      13 LYS  QD      4.27            #peak    65
 13 LYS  H      13 LYS  QG      4.43            #peak    66
  5 ARG  H       5 ARG  QB      3.56            #peak    73
  4 ARG  H       5 ARG  H       4.71            #peak   114
 22 GLU  H      22 GLU  HB3     3.32            #peak    77
 22 GLU  H      22 GLU  QG      3.76            #peak    78
 22 GLU  H      22 GLU  HB2     3.32            #peak    80
 30 SER  QB     31 GLU  H       4.62            #peak    85
 31 GLU  H      31 GLU  QG      4.27            #peak    86
 30 SER  HA     31 GLU  H       3.39            #peak    87
  2 TRP  QB      3 GLN  H       4.37            #peak    89
  3 GLN  H       3 GLN  QG      4.57            #peak    93
 26 GLU  QG     27 LEU  H       5.31            #peak    96
 26 GLU  HA     27 LEU  H       3.44            #peak    99
 21 GLU  H      27 LEU  H       4.09            #peak   101
 27 LEU  H      28 ASN  H       4.31            #peak   103
 27 LEU  H      27 LEU  QQD     5.09            #peak   104
 27 LEU  H      27 LEU  HG      3.52            #peak   105
  4 ARG  H       4 ARG  HB3     3.89            #peak   111
  4 ARG  H       4 ARG  QG      4.37            #peak   112
  4 ARG  H       4 ARG  QD      5.50            #peak   113
  3 GLN  HA      4 ARG  H       3.35            #peak   116
 23 GLU  HA     24 ARG  H       3.39            #peak   118
 24 ARG  H      24 ARG  QG      4.23            #peak   122
 24 ARG  H      24 ARG  HB3     4.18            #peak   123
 24 ARG  H      24 ARG  QD      5.50            #peak   125
 11 GLU  HA     12 ARG  H       3.53            #peak   129
 12 ARG  H      12 ARG  QG      4.17            #peak   130
 19 GLU  HA     20 GLU  H       3.01            #peak   136
  5 ARG  HA      6 GLN  H       3.46            #peak   141
  6 GLN  H       6 GLN  QG      4.57            #peak   145
  5 ARG  QG      6 GLN  H       4.50            #peak   146
 31 GLU  HA     32 GLU  H       3.50            #peak   150
 32 GLU  H      32 GLU  QB      3.58            #peak   151
 32 GLU  H      32 GLU  QG      4.07            #peak   152
 32 GLU  H      37 GLU  H       3.77            #peak   154
 34 GLU  H      34 GLU  HB3     4.15            #peak   156
 34 GLU  H      34 GLU  QG      4.43            #peak   158
 18 GLN  HA     19 GLU  H       3.44            #peak   163
 19 GLU  H      19 GLU  HB2     4.00            #peak   168
 21 GLU  H      28 ASN  HB3     5.20            #peak   174
 21 GLU  H      28 ASN  HB2     5.20            #peak   175
 11 GLU  H      11 GLU  HB2     3.81            #peak   183
 11 GLU  H      11 GLU  QG      4.24            #peak   184
 10 GLU  HA     11 GLU  H       3.48            #peak   185
 18 GLN  H      18 GLN  HB3     3.96            #peak   190
 18 GLN  H      18 GLN  QG      3.90            #peak   191
 37 GLU  H      37 GLU  QG      4.45            #peak   195
 34 GLU  H      37 GLU  H       4.18            #peak   161
  9 GLY  H      10 GLU  H       4.39            #peak   277
 29 GLN  H      29 GLN  QG      4.47            #peak   212
 16 GLU  H      16 GLU  QG      4.26            #peak   220
 16 GLU  H      17 ASN  H       4.33            #peak   224
 25 ALA  HA     26 GLU  H       3.34            #peak   227
 25 ALA  QB     26 GLU  H       4.23            #peak   228
 26 GLU  H      27 LEU  H       3.98            #peak   102
 28 ASN  H      29 GLN  QG      4.94            #peak   235
 20 GLU  QG     28 ASN  H       4.94            #peak   237
 27 LEU  QQD    28 ASN  H       5.11            #peak   242
 27 LEU  HG     28 ASN  H       4.53            #peak   243
 37 GLU  H      38 SER  H       4.25            #peak   202
 16 GLU  HB2    17 ASN  H       4.35            #peak   254
 29 GLN  QG     30 SER  H       5.05            #peak   263
 40 THR  H      40 THR  HG1     5.50            #peak   269
 39 SER  H      40 THR  H       4.65            #peak   247
  8 ARG  QG      9 GLY  H       4.59            #peak   280
 40 THR  HG1    41 GLY  H       4.81            #peak   282
  1 MET  H       1 MET  QB      3.48            #peak    56
  3 GLN  H       3 GLN  QB      3.63            #peak    91
  4 ARG  H       7 ARG  QB      6.73            #peak   107
  6 GLN  H       6 GLN  QB      3.70            #peak   143
  6 GLN  H       7 ARG  QB      4.55            #peak   149
  6 GLN  H       8 ARG  QB      6.54            #peak   147
  8 ARG  H       8 ARG  QB      3.59            #peak    34
  8 ARG  H       9 GLY  QA      5.14            #peak    32
  8 ARG  QB      9 GLY  H       4.28            #peak   279
  8 ARG  QB     10 GLU  H       5.34            #peak   774
 10 GLU  H      10 GLU  QB      3.53            #peak   206
 12 ARG  H      12 ARG  QB      3.65            #peak   131
 12 ARG  H      22 GLU  QB      4.56            #peak   128
 12 ARG  QB     13 LYS  H       3.72            #peak    61
 16 GLU  H      16 GLU  QB      3.55            #peak   221
 18 GLN  H      18 GLN  QB      3.38            #peak   190
 19 GLU  H      19 GLU  QB      3.38            #peak   167
 19 GLU  H      28 ASN  QB      4.82            #peak   166
 21 GLU  H      21 GLU  QB      3.49            #peak   171
 21 GLU  H      28 ASN  QB      4.55            #peak   175
 21 GLU  QB     28 ASN  H       5.32            #peak   234
 22 GLU  H      22 GLU  QB      2.87            #peak    77
 24 ARG  H      24 ARG  QB      3.65            #peak   123
 24 ARG  H      26 GLU  QB      4.59            #peak   121
 25 ALA  H      26 GLU  QB      5.14            #peak    27
 26 GLU  H      26 GLU  QB      3.60            #peak   230
 27 LEU  H      29 GLN  QB      4.52            #peak    97
 29 GLN  H      29 GLN  QB      3.64            #peak   214
 31 GLU  H      31 GLU  QB      3.66            #peak    82
 34 GLU  H      34 GLU  QB      3.58            #peak   156
 34 GLU  QB     35 ALA  H       4.35            #peak    20
 37 GLU  H      37 GLU  QB      3.58            #peak   197
   1 MET   PHI    -175.0    75.0 5.00E-01 type=2
   1 MET   PSI     -75.0   185.0 5.00E-01 type=2
   2 TRP   PHI    -155.0   -85.0 5.00E-01 type=2
   2 TRP   PSI      90.0   155.0 5.00E-01 type=2
   3 GLN   PHI      30.0    85.0 5.00E-01 type=2
   3 GLN   PSI       5.0    65.0 5.00E-01 type=2
   4 ARG   PHI     -90.0   -45.0 5.00E-01 type=2
   4 ARG   PSI     -65.0   -10.0 5.00E-01 type=2
   5 ARG   PSI     -25.0    -5.0 5.00E-01 type=2
   6 GLN   PHI     -75.0   -45.0 5.00E-01 type=2
   6 GLN   PSI     -45.0   -15.0 5.00E-01 type=2
   7 ARG   PHI    -105.0   -65.0 5.00E-01 type=2
   7 ARG   PSI     -45.0    -5.0 5.00E-01 type=2
   8 ARG   PHI     -95.0   -55.0 5.00E-01 type=2
   8 ARG   PSI     -65.0   -25.0 5.00E-01 type=2
  10 GLU   PHI    -125.0   -30.0 5.00E-01 type=2
  10 GLU   PSI     -85.0     0.0 5.00E-01 type=2
  11 GLU   PHI      15.0    80.0 5.00E-01 type=2
  11 GLU   PSI     -60.0     0.0 5.00E-01 type=2
  12 ARG   PHI    -145.0   -79.0 5.00E-01 type=2
  12 ARG   PSI     105.0   155.0 5.00E-01 type=2
  13 LYS   PHI    -125.0   -60.0 5.00E-01 type=2
  13 LYS   PSI     115.0   150.0 5.00E-01 type=2
  14 ALA   PHI    -145.0   -65.0 5.00E-01 type=2
  14 ALA   PSI      95.0   180.0 5.00E-01 type=2
  17 ASN   PHI    -175.0    75.0 5.00E-01 type=2
  17 ASN   PSI     -75.0   185.0 5.00E-01 type=2
  18 GLN   PHI    -175.0    75.0 5.00E-01 type=2
  18 GLN   PSI     -75.0   185.0 5.00E-01 type=2
  19 GLU   PHI    -175.0    75.0 5.00E-01 type=2
  19 GLU   PSI     -75.0   185.0 5.00E-01 type=2
  20 GLU   PHI    -175.0    75.0 5.00E-01 type=2
  20 GLU   PSI     -75.0   185.0 5.00E-01 type=2
  21 GLU   PHI    -175.0    75.0 5.00E-01 type=2
  21 GLU   PSI     -75.0   185.0 5.00E-01 type=2
  22 GLU   PHI    -175.0    75.0 5.00E-01 type=2
  22 GLU   PSI     -75.0   185.0 5.00E-01 type=2
  23 GLU   PHI    -175.0    75.0 5.00E-01 type=2
  23 GLU   PSI     -75.0   185.0 5.00E-01 type=2
  24 ARG   PHI    -175.0    75.0 5.00E-01 type=2
  24 ARG   PSI     -75.0   185.0 5.00E-01 type=2
  25 ALA   PHI    -175.0    75.0 5.00E-01 type=2
  25 ALA   PSI     -75.0   185.0 5.00E-01 type=2
  26 GLU   PHI    -175.0    75.0 5.00E-01 type=2
  26 GLU   PSI     -75.0   185.0 5.00E-01 type=2
  27 LEU   PHI    -175.0    75.0 5.00E-01 type=2
  27 LEU   PSI     -75.0   185.0 5.00E-01 type=2
  28 ASN   PHI    -175.0    75.0 5.00E-01 type=2
  28 ASN   PSI     -75.0   185.0 5.00E-01 type=2
  29 GLN   PHI    -175.0    75.0 5.00E-01 type=2
  29 GLN   PSI     -75.0   185.0 5.00E-01 type=2
  30 SER   PHI    -175.0    75.0 5.00E-01 type=2
  30 SER   PSI     -75.0   185.0 5.00E-01 type=2
  31 GLU   PHI    -175.0    75.0 5.00E-01 type=2
  31 GLU   PSI     -75.0   185.0 5.00E-01 type=2
  34 GLU   PHI    -175.0    75.0 5.00E-01 type=2
  34 GLU   PSI     -75.0   185.0 5.00E-01 type=2
  35 ALA   PHI    -175.0    75.0 5.00E-01 type=2
  35 ALA   PSI     -75.0   185.0 5.00E-01 type=2
  37 GLU   PHI    -175.0    75.0 5.00E-01 type=2
  37 GLU   PSI     -75.0   185.0 5.00E-01 type=2
  38 SER   PHI    -175.0    75.0 5.00E-01 type=2
  38 SER   PSI     -75.0   185.0 5.00E-01 type=2
  39 SER   PHI    -175.0    75.0 5.00E-01 type=2
  39 SER   PSI     -75.0   185.0 5.00E-01 type=2
  40 THR   PHI    -175.0    75.0 5.00E-01 type=2
  40 THR   PSI     -75.0   185.0 5.00E-01 type=2
   1 MET   CHI1    -90.0   210.0 2.00E-01 type=2
   1 MET   CHI1   -330.0   -30.0 2.00E-01 type=2
   1 MET   CHI1   -210.0    90.0 2.00E-01 type=2
   1 MET   CHI2    -90.0   210.0 2.00E-01 type=2
   1 MET   CHI2   -330.0   -30.0 2.00E-01 type=2
   1 MET   CHI2   -210.0    90.0 2.00E-01 type=2
   2 TRP   CHI1    -90.0   210.0 2.00E-01 type=2
   2 TRP   CHI1   -330.0   -30.0 2.00E-01 type=2
   2 TRP   CHI1   -210.0    90.0 2.00E-01 type=2
   3 GLN   CHI1    -90.0   210.0 2.00E-01 type=2
   3 GLN   CHI1   -330.0   -30.0 2.00E-01 type=2
   3 GLN   CHI1   -210.0    90.0 2.00E-01 type=2
   3 GLN   CHI2    -90.0   210.0 2.00E-01 type=2
   3 GLN   CHI2   -330.0   -30.0 2.00E-01 type=2
   3 GLN   CHI2   -210.0    90.0 2.00E-01 type=2
   4 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
   4 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
   4 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
   4 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
   4 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
   4 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
   4 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
   4 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
   4 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
   5 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
   5 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
   5 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
   5 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
   5 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
   5 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
   5 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
   5 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
   5 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
   6 GLN   CHI1    -90.0   210.0 2.00E-01 type=2
   6 GLN   CHI1   -330.0   -30.0 2.00E-01 type=2
   6 GLN   CHI1   -210.0    90.0 2.00E-01 type=2
   6 GLN   CHI2    -90.0   210.0 2.00E-01 type=2
   6 GLN   CHI2   -330.0   -30.0 2.00E-01 type=2
   6 GLN   CHI2   -210.0    90.0 2.00E-01 type=2
   7 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
   7 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
   7 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
   7 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
   7 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
   7 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
   7 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
   7 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
   7 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
   8 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
   8 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
   8 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
   8 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
   8 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
   8 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
   8 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
   8 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
   8 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
  10 GLU   CHI1    -90.0   210.0 2.00E-01 type=2
  10 GLU   CHI1   -330.0   -30.0 2.00E-01 type=2
  10 GLU   CHI1   -210.0    90.0 2.00E-01 type=2
  10 GLU   CHI2    -90.0   210.0 2.00E-01 type=2
  10 GLU   CHI2   -330.0   -30.0 2.00E-01 type=2
  10 GLU   CHI2   -210.0    90.0 2.00E-01 type=2
  11 GLU   CHI1    -90.0   210.0 2.00E-01 type=2
  11 GLU   CHI1   -330.0   -30.0 2.00E-01 type=2
  11 GLU   CHI1   -210.0    90.0 2.00E-01 type=2
  11 GLU   CHI2    -90.0   210.0 2.00E-01 type=2
  11 GLU   CHI2   -330.0   -30.0 2.00E-01 type=2
  11 GLU   CHI2   -210.0    90.0 2.00E-01 type=2
  12 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
  12 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
  12 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
  12 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
  12 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
  12 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
  12 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
  12 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
  12 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
  13 LYS   CHI1    -90.0   210.0 2.00E-01 type=2
  13 LYS   CHI1   -330.0   -30.0 2.00E-01 type=2
  13 LYS   CHI1   -210.0    90.0 2.00E-01 type=2
  13 LYS   CHI2    -90.0   210.0 2.00E-01 type=2
  13 LYS   CHI2   -330.0   -30.0 2.00E-01 type=2
  13 LYS   CHI2   -210.0    90.0 2.00E-01 type=2
  13 LYS   CHI3    -90.0   210.0 2.00E-01 type=2
  13 LYS   CHI3   -330.0   -30.0 2.00E-01 type=2
  13 LYS   CHI3   -210.0    90.0 2.00E-01 type=2
  13 LYS   CHI4    -90.0   210.0 2.00E-01 type=2
  13 LYS   CHI4   -330.0   -30.0 2.00E-01 type=2
  13 LYS   CHI4   -210.0    90.0 2.00E-01 type=2
  16 GLU   CHI1    -90.0   210.0 2.00E-01 type=2
  16 GLU   CHI1   -330.0   -30.0 2.00E-01 type=2
  16 GLU   CHI1   -210.0    90.0 2.00E-01 type=2
  16 GLU   CHI2    -90.0   210.0 2.00E-01 type=2
  16 GLU   CHI2   -330.0   -30.0 2.00E-01 type=2
  16 GLU   CHI2   -210.0    90.0 2.00E-01 type=2
  17 ASN   CHI1    -90.0   210.0 2.00E-01 type=2
  17 ASN   CHI1   -330.0   -30.0 2.00E-01 type=2
  17 ASN   CHI1   -210.0    90.0 2.00E-01 type=2
  18 GLN   CHI1    -90.0   210.0 2.00E-01 type=2
  18 GLN   CHI1   -330.0   -30.0 2.00E-01 type=2
  18 GLN   CHI1   -210.0    90.0 2.00E-01 type=2
  18 GLN   CHI2    -90.0   210.0 2.00E-01 type=2
  18 GLN   CHI2   -330.0   -30.0 2.00E-01 type=2
  18 GLN   CHI2   -210.0    90.0 2.00E-01 type=2
  19 GLU   CHI1    -90.0   210.0 2.00E-01 type=2
  19 GLU   CHI1   -330.0   -30.0 2.00E-01 type=2
  19 GLU   CHI1   -210.0    90.0 2.00E-01 type=2
  19 GLU   CHI2    -90.0   210.0 2.00E-01 type=2
  19 GLU   CHI2   -330.0   -30.0 2.00E-01 type=2
  19 GLU   CHI2   -210.0    90.0 2.00E-01 type=2
  20 GLU   CHI1    -90.0   210.0 2.00E-01 type=2
  20 GLU   CHI1   -330.0   -30.0 2.00E-01 type=2
  20 GLU   CHI1   -210.0    90.0 2.00E-01 type=2
  20 GLU   CHI2    -90.0   210.0 2.00E-01 type=2
  20 GLU   CHI2   -330.0   -30.0 2.00E-01 type=2
  20 GLU   CHI2   -210.0    90.0 2.00E-01 type=2
  21 GLU   CHI1    -90.0   210.0 2.00E-01 type=2
  21 GLU   CHI1   -330.0   -30.0 2.00E-01 type=2
  21 GLU   CHI1   -210.0    90.0 2.00E-01 type=2
  21 GLU   CHI2    -90.0   210.0 2.00E-01 type=2
  21 GLU   CHI2   -330.0   -30.0 2.00E-01 type=2
  21 GLU   CHI2   -210.0    90.0 2.00E-01 type=2
  22 GLU   CHI1    -90.0   210.0 2.00E-01 type=2
  22 GLU   CHI1   -330.0   -30.0 2.00E-01 type=2
  22 GLU   CHI1   -210.0    90.0 2.00E-01 type=2
  22 GLU   CHI2    -90.0   210.0 2.00E-01 type=2
  22 GLU   CHI2   -330.0   -30.0 2.00E-01 type=2
  22 GLU   CHI2   -210.0    90.0 2.00E-01 type=2
  23 GLU   CHI1    -90.0   210.0 2.00E-01 type=2
  23 GLU   CHI1   -330.0   -30.0 2.00E-01 type=2
  23 GLU   CHI1   -210.0    90.0 2.00E-01 type=2
  23 GLU   CHI2    -90.0   210.0 2.00E-01 type=2
  23 GLU   CHI2   -330.0   -30.0 2.00E-01 type=2
  23 GLU   CHI2   -210.0    90.0 2.00E-01 type=2
  24 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
  24 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
  24 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
  24 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
  24 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
  24 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
  24 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
  24 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
  24 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
  26 GLU   CHI1    -90.0   210.0 2.00E-01 type=2
  26 GLU   CHI1   -330.0   -30.0 2.00E-01 type=2
  26 GLU   CHI1   -210.0    90.0 2.00E-01 type=2
  26 GLU   CHI2    -90.0   210.0 2.00E-01 type=2
  26 GLU   CHI2   -330.0   -30.0 2.00E-01 type=2
  26 GLU   CHI2   -210.0    90.0 2.00E-01 type=2
  27 LEU   CHI1    -90.0   210.0 2.00E-01 type=2
  27 LEU   CHI1   -330.0   -30.0 2.00E-01 type=2
  27 LEU   CHI1   -210.0    90.0 2.00E-01 type=2
  27 LEU   CHI2    -90.0   210.0 2.00E-01 type=2
  27 LEU   CHI2   -330.0   -30.0 2.00E-01 type=2
  27 LEU   CHI2   -210.0    90.0 2.00E-01 type=2
  28 ASN   CHI1    -90.0   210.0 2.00E-01 type=2
  28 ASN   CHI1   -330.0   -30.0 2.00E-01 type=2
  28 ASN   CHI1   -210.0    90.0 2.00E-01 type=2
  29 GLN   CHI1    -90.0   210.0 2.00E-01 type=2
  29 GLN   CHI1   -330.0   -30.0 2.00E-01 type=2
  29 GLN   CHI1   -210.0    90.0 2.00E-01 type=2
  29 GLN   CHI2    -90.0   210.0 2.00E-01 type=2
  29 GLN   CHI2   -330.0   -30.0 2.00E-01 type=2
  29 GLN   CHI2   -210.0    90.0 2.00E-01 type=2
  30 SER   CHI1    -90.0   210.0 2.00E-01 type=2
  30 SER   CHI1   -330.0   -30.0 2.00E-01 type=2
  30 SER   CHI1   -210.0    90.0 2.00E-01 type=2
  31 GLU   CHI1    -90.0   210.0 2.00E-01 type=2
  31 GLU   CHI1   -330.0   -30.0 2.00E-01 type=2
  31 GLU   CHI1   -210.0    90.0 2.00E-01 type=2
  31 GLU   CHI2    -90.0   210.0 2.00E-01 type=2
  31 GLU   CHI2   -330.0   -30.0 2.00E-01 type=2
  31 GLU   CHI2   -210.0    90.0 2.00E-01 type=2
  32 GLU   CHI1    -90.0   210.0 2.00E-01 type=2
  32 GLU   CHI1   -330.0   -30.0 2.00E-01 type=2
  32 GLU   CHI1   -210.0    90.0 2.00E-01 type=2
  32 GLU   CHI2    -90.0   210.0 2.00E-01 type=2
  32 GLU   CHI2   -330.0   -30.0 2.00E-01 type=2
  32 GLU   CHI2   -210.0    90.0 2.00E-01 type=2
  34 GLU   CHI1    -90.0   210.0 2.00E-01 type=2
  34 GLU   CHI1   -330.0   -30.0 2.00E-01 type=2
  34 GLU   CHI1   -210.0    90.0 2.00E-01 type=2
  34 GLU   CHI2    -90.0   210.0 2.00E-01 type=2
  34 GLU   CHI2   -330.0   -30.0 2.00E-01 type=2
  34 GLU   CHI2   -210.0    90.0 2.00E-01 type=2
  37 GLU   CHI1    -90.0   210.0 2.00E-01 type=2
  37 GLU   CHI1   -330.0   -30.0 2.00E-01 type=2
  37 GLU   CHI1   -210.0    90.0 2.00E-01 type=2
  37 GLU   CHI2    -90.0   210.0 2.00E-01 type=2
  37 GLU   CHI2   -330.0   -30.0 2.00E-01 type=2
  37 GLU   CHI2   -210.0    90.0 2.00E-01 type=2
  38 SER   CHI1    -90.0   210.0 2.00E-01 type=2
  38 SER   CHI1   -330.0   -30.0 2.00E-01 type=2
  38 SER   CHI1   -210.0    90.0 2.00E-01 type=2
  39 SER   CHI1    -90.0   210.0 2.00E-01 type=2
  39 SER   CHI1   -330.0   -30.0 2.00E-01 type=2
  39 SER   CHI1   -210.0    90.0 2.00E-01 type=2
  40 THR   CHI1    -90.0   210.0 2.00E-01 type=2
  40 THR   CHI1   -330.0   -30.0 2.00E-01 type=2
  40 THR   CHI1   -210.0    90.0 2.00E-01 type=2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H        MET   1   5.446   1.142   2.489
    2    HA   MET   1           HA       MET   1   3.793  -1.207   2.834
    3    HB3  MET   1           2HB      MET   1   5.766  -2.074   4.098
    4    HG3  MET   1           2HG      MET   1   7.384  -2.089   2.236
    5    HE1  MET   1           3HE      MET   1   5.377  -5.327   2.102
    6    HE2  MET   1           1HE      MET   1   6.917  -4.537   2.441
    7    HE3  MET   1           2HE      MET   1   5.521  -4.222   3.469
    8    H    TRP   2           H        TRP   2   5.284   1.233   4.952
    9    HA   TRP   2           HA       TRP   2   3.205   0.631   6.945
   10    HB3  TRP   2           2HB      TRP   2   5.154  -0.362   7.863
   11    HD1  TRP   2           HD       TRP   2   6.524   3.259   7.476
   12    HE1  TRP   2           1HE      TRP   2   8.988   3.091   6.752
   13    HE3  TRP   2           3HE      TRP   2   6.925  -1.826   7.129
   14    HZ2  TRP   2           2HZ      TRP   2  10.855   1.071   6.117
   15    HZ3  TRP   2           3HZ      TRP   2   9.084  -2.796   6.456
   16    HH2  TRP   2           HH       TRP   2  11.006  -1.375   5.961
   17    H    GLN   3           H        GLN   3   2.617   2.393   8.321
   18    HA   GLN   3           HA       GLN   3   1.999   4.548   8.705
   19    HB3  GLN   3           2HB      GLN   3   3.758   6.284   8.422
   20    HG3  GLN   3           2HG      GLN   3   4.266   3.757   9.869
   21   HE21  GLN   3          1HE2      GLN   3   6.093   3.653  11.331
   22   HE22  GLN   3          2HE2      GLN   3   7.630   4.244  10.808
   23    H    ARG   4           H        ARG   4   1.389   3.314   6.125
   24    HA   ARG   4           HA       ARG   4   1.517   5.514   4.226
   25    HB3  ARG   4           2HB      ARG   4  -0.064   3.533   3.102
   26    HG3  ARG   4           2HG      ARG   4   2.884   3.282   2.840
   27    HD3  ARG   4           2HD      ARG   4   2.316   3.173   0.467
   28    HE   ARG   4           HE       ARG   4   1.533   1.222   2.267
   29   HH11  ARG   4          1HH1      ARG   4   0.648   2.269  -0.933
   30   HH12  ARG   4          2HH1      ARG   4   0.148   0.693  -1.451
   31   HH21  ARG   4          1HH2      ARG   4   0.878  -0.858   1.596
   32   HH22  ARG   4          2HH2      ARG   4   0.279  -1.084  -0.012
   33    H    ARG   5           H        ARG   5  -0.882   3.721   6.100
   34    HA   ARG   5           HA       ARG   5  -3.024   5.430   5.105
   35    HB3  ARG   5           2HB      ARG   5  -4.142   3.825   7.039
   36    HG3  ARG   5           2HG      ARG   5  -3.944   3.715   4.112
   37    HD3  ARG   5           2HD      ARG   5  -5.041   1.546   3.957
   38    HE   ARG   5           HE       ARG   5  -2.659   0.786   5.399
   39   HH11  ARG   5          1HH1      ARG   5  -3.967   2.084   2.446
   40   HH12  ARG   5          2HH1      ARG   5  -2.591   1.643   1.490
   41   HH21  ARG   5          1HH2      ARG   5  -0.842   0.201   4.151
   42   HH22  ARG   5          2HH2      ARG   5  -0.815   0.572   2.460
   43    H    GLN   6           H        GLN   6  -0.740   5.575   7.492
   44    HA   GLN   6           HA       GLN   6  -2.105   6.417   9.768
   45    HB3  GLN   6           2HB      GLN   6   0.179   7.943   9.804
   46    HG3  GLN   6           2HG      GLN   6   0.588   5.077  10.370
   47   HE21  GLN   6          1HE2      GLN   6   0.168   8.292  11.818
   48   HE22  GLN   6          2HE2      GLN   6   1.623   8.249  12.748
   49    H    ARG   7           H        ARG   7  -1.604   8.012   6.753
   50    HA   ARG   7           HA       ARG   7  -2.113  10.666   7.759
   51    HB3  ARG   7           2HB      ARG   7  -2.394  11.049   5.167
   52    HG3  ARG   7           2HG      ARG   7   0.041  10.658   6.777
   53    HD3  ARG   7           2HD      ARG   7   0.638  11.355   4.001
   54    HE   ARG   7           HE       ARG   7   2.101   9.266   5.345
   55   HH11  ARG   7          1HH1      ARG   7   1.669  12.700   4.961
   56   HH12  ARG   7          2HH1      ARG   7   3.267  13.093   5.502
   57   HH21  ARG   7          1HH2      ARG   7   4.207   9.772   6.060
   58   HH22  ARG   7          2HH2      ARG   7   4.711  11.427   6.126
   59    H    ARG   8           H        ARG   8  -3.982   7.990   6.718
   60    HA   ARG   8           HA       ARG   8  -6.340   9.638   6.200
   61    HB3  ARG   8           2HB      ARG   8  -7.268   7.147   5.878
   62    HG3  ARG   8           2HG      ARG   8  -6.265   9.133   4.123
   63    HD3  ARG   8           2HD      ARG   8  -5.933   7.150   2.302
   64    HE   ARG   8           HE       ARG   8  -3.445   7.967   3.461
   65   HH11  ARG   8          1HH1      ARG   8  -6.207   9.039   1.632
   66   HH12  ARG   8          2HH1      ARG   8  -5.360  10.345   0.872
   67   HH21  ARG   8          1HH2      ARG   8  -2.320   9.683   2.467
   68   HH22  ARG   8          2HH2      ARG   8  -3.149  10.711   1.347
   69    H    GLY   9           H        GLY   9  -5.104   7.248   8.474
   70    HA2  GLY   9           2HA      GLY   9  -5.861   7.701  10.819
   71    HA3  GLY   9           3HA      GLY   9  -7.488   7.726  10.154
   72    H    GLU  10           H        GLU  10  -5.452   5.433   8.693
   73    HA   GLU  10           HA       GLU  10  -6.645   3.302  10.343
   74    HB3  GLU  10           2HB      GLU  10  -6.162   1.955   8.115
   75    HG3  GLU  10           2HG      GLU  10  -8.492   3.840   8.062
   76    H    GLU  11           H        GLU  11  -3.766   4.634   8.989
   77    HA   GLU  11           HA       GLU  11  -1.569   4.207   9.447
   78    HB3  GLU  11           2HB      GLU  11  -2.277   1.806  11.090
   79    HG3  GLU  11           2HG      GLU  11  -0.508   3.856  12.180
   80    H    ARG  12           H        ARG  12  -3.200   1.032   9.387
   81    HA   ARG  12           HA       ARG  12  -1.647   0.362   6.988
   82    HB3  ARG  12           2HB      ARG  12  -1.228  -1.896   7.877
   83    HG3  ARG  12           2HG      ARG  12   0.188  -1.153   9.955
   84    HD3  ARG  12           2HD      ARG  12   1.150   0.230   7.544
   85    HE   ARG  12           HE       ARG  12   2.960  -0.434   8.789
   86   HH11  ARG  12          1HH1      ARG  12   0.793  -3.126   8.365
   87   HH12  ARG  12          2HH1      ARG  12   1.900  -4.287   9.023
   88   HH21  ARG  12          1HH2      ARG  12   4.424  -1.951   9.657
   89   HH22  ARG  12          2HH2      ARG  12   3.963  -3.618   9.758
   90    H    LYS  13           H        LYS  13  -2.571  -1.324   5.687
   91    HA   LYS  13           HA       LYS  13  -5.344  -1.111   5.355
   92    HB3  LYS  13           2HB      LYS  13  -3.414  -3.201   4.336
   93    HG3  LYS  13           2HG      LYS  13  -5.707  -4.043   4.176
   94    HD3  LYS  13           2HD      LYS  13  -6.161  -1.432   2.751
   95    HE3  LYS  13           2HE      LYS  13  -6.983  -3.592   1.545
   96    HZ1  LYS  13           3HZ      LYS  13  -9.396  -3.907   2.458
   97    HZ2  LYS  13           1HZ      LYS  13  -8.682  -3.477   3.930
   98    HZ3  LYS  13           2HZ      LYS  13  -8.114  -4.823   3.075
   99    H    ALA  14           H        ALA  14  -6.931  -1.938   6.529
  100    HA   ALA  14           HA       ALA  14  -6.618  -4.622   7.668
  101    HB1  ALA  14           1HB      ALA  14  -6.540  -2.269   9.199
  102    HB2  ALA  14           2HB      ALA  14  -8.119  -3.000   9.489
  103    HB3  ALA  14           3HB      ALA  14  -6.650  -3.933   9.776
  104    HA   PRO  15           HA       PRO  15 -10.717  -5.365   6.292
  105    HB3  PRO  15           2HB      PRO  15 -10.507  -7.498   7.118
  106    HG3  PRO  15           2HG      PRO  15  -9.393  -7.905   9.119
  107    HD3  PRO  15           2HD      PRO  15  -7.826  -6.595   8.052
  Start of MODEL    2
    1    H1   MET   1           H        MET   1   5.931  -0.918   2.663
    2    HA   MET   1           HA       MET   1   3.652   0.302   2.795
    3    HB3  MET   1           2HB      MET   1   2.517  -1.922   3.549
    4    HG3  MET   1           2HG      MET   1   3.303  -3.098   1.439
    5    HE1  MET   1           3HE      MET   1   0.320  -2.222  -0.483
    6    HE2  MET   1           1HE      MET   1   1.949  -2.680  -0.976
    7    HE3  MET   1           2HE      MET   1   1.222  -3.415   0.452
    8    H    TRP   2           H        TRP   2   5.221   1.092   5.140
    9    HA   TRP   2           HA       TRP   2   3.162   0.729   7.220
   10    HB3  TRP   2           2HB      TRP   2   4.849   0.896   8.905
   11    HD1  TRP   2           HD       TRP   2   3.761  -1.608   7.078
   12    HE1  TRP   2           1HE      TRP   2   5.192  -3.746   7.026
   13    HE3  TRP   2           3HE      TRP   2   8.232   0.371   8.573
   14    HZ2  TRP   2           2HZ      TRP   2   7.863  -4.496   7.550
   15    HZ3  TRP   2           3HZ      TRP   2  10.176  -1.125   8.773
   16    HH2  TRP   2           HH       TRP   2   9.992  -3.508   8.272
   17    H    GLN   3           H        GLN   3   2.718   2.540   8.585
   18    HA   GLN   3           HA       GLN   3   2.186   4.722   8.948
   19    HB3  GLN   3           2HB      GLN   3   4.047   6.387   8.267
   20    HG3  GLN   3           2HG      GLN   3   4.711   4.123  10.136
   21   HE21  GLN   3          1HE2      GLN   3   5.279   6.370  12.027
   22   HE22  GLN   3          2HE2      GLN   3   6.881   6.880  11.631
   23    H    ARG   4           H        ARG   4   1.451   3.428   6.397
   24    HA   ARG   4           HA       ARG   4   1.488   5.618   4.481
   25    HB3  ARG   4           2HB      ARG   4  -0.103   3.660   3.389
   26    HG3  ARG   4           2HG      ARG   4   2.829   3.286   3.133
   27    HD3  ARG   4           2HD      ARG   4   0.707   2.401   1.717
   28    HE   ARG   4           HE       ARG   4   0.740   4.995   0.883
   29   HH11  ARG   4          1HH1      ARG   4   1.376   1.924  -0.630
   30   HH12  ARG   4          2HH1      ARG   4   0.853   2.442  -2.199
   31   HH21  ARG   4          1HH2      ARG   4   0.048   5.687  -1.178
   32   HH22  ARG   4          2HH2      ARG   4   0.099   4.582  -2.509
   33    H    ARG   5           H        ARG   5  -0.843   3.775   6.405
   34    HA   ARG   5           HA       ARG   5  -3.014   5.511   5.526
   35    HB3  ARG   5           2HB      ARG   5  -4.084   3.846   7.430
   36    HG3  ARG   5           2HG      ARG   5  -3.974   3.862   4.508
   37    HD3  ARG   5           2HD      ARG   5  -4.966   1.659   4.246
   38    HE   ARG   5           HE       ARG   5  -2.531   0.920   5.609
   39   HH11  ARG   5          1HH1      ARG   5  -3.942   2.325   2.754
   40   HH12  ARG   5          2HH1      ARG   5  -2.564   1.999   1.755
   41   HH21  ARG   5          1HH2      ARG   5  -0.712   0.485   4.304
   42   HH22  ARG   5          2HH2      ARG   5  -0.728   0.952   2.637
   43    H    GLN   6           H        GLN   6  -0.667   5.561   7.864
   44    HA   GLN   6           HA       GLN   6  -1.969   6.333  10.198
   45    HB3  GLN   6           2HB      GLN   6   0.414   5.839  10.137
   46    HG3  GLN   6           2HG      GLN   6   0.652   7.267   7.906
   47   HE21  GLN   6          1HE2      GLN   6   2.833   8.897   7.890
   48   HE22  GLN   6          2HE2      GLN   6   2.421  10.440   8.547
   49    H    ARG   7           H        ARG   7  -1.531   8.033   7.231
   50    HA   ARG   7           HA       ARG   7  -2.005  10.651   8.336
   51    HB3  ARG   7           2HB      ARG   7  -2.363  11.121   5.767
   52    HG3  ARG   7           2HG      ARG   7   0.122  10.659   7.282
   53    HD3  ARG   7           2HD      ARG   7   0.628  11.468   4.521
   54    HE   ARG   7           HE       ARG   7   2.030  10.003   6.568
   55   HH11  ARG   7          1HH1      ARG   7   1.944  10.896   3.204
   56   HH12  ARG   7          2HH1      ARG   7   3.643  10.649   2.961
   57   HH21  ARG   7          1HH2      ARG   7   4.267   9.674   6.261
   58   HH22  ARG   7          2HH2      ARG   7   4.962   9.953   4.699
   59    H    ARG   8           H        ARG   8  -3.918   8.021   7.243
   60    HA   ARG   8           HA       ARG   8  -6.282   9.696   6.867
   61    HB3  ARG   8           2HB      ARG   8  -7.204   7.190   6.499
   62    HG3  ARG   8           2HG      ARG   8  -6.229   9.263   4.756
   63    HD3  ARG   8           2HD      ARG   8  -6.337   6.667   3.337
   64    HE   ARG   8           HE       ARG   8  -5.518   9.274   2.689
   65   HH11  ARG   8          1HH1      ARG   8  -4.563   5.961   2.201
   66   HH12  ARG   8          2HH1      ARG   8  -3.786   6.272   0.684
   67   HH21  ARG   8          1HH2      ARG   8  -4.498   9.695   0.693
   68   HH22  ARG   8          2HH2      ARG   8  -3.749   8.397  -0.173
   69    H    GLY   9           H        GLY   9  -4.985   7.217   9.007
   70    HA2  GLY   9           2HA      GLY   9  -5.670   7.576  11.389
   71    HA3  GLY   9           3HA      GLY   9  -7.317   7.633  10.775
   72    H    GLU  10           H        GLU  10  -5.321   5.394   9.172
   73    HA   GLU  10           HA       GLU  10  -6.485   3.202  10.761
   74    HB3  GLU  10           2HB      GLU  10  -6.139   1.908   8.525
   75    HG3  GLU  10           2HG      GLU  10  -8.288   3.979   8.364
   76    H    GLU  11           H        GLU  11  -3.632   4.581   9.400
   77    HA   GLU  11           HA       GLU  11  -1.428   4.130   9.792
   78    HB3  GLU  11           2HB      GLU  11  -2.091   1.661  11.345
   79    HG3  GLU  11           2HG      GLU  11  -0.176   3.890  11.978
   80    H    ARG  12           H        ARG  12  -3.071   0.965   9.635
   81    HA   ARG  12           HA       ARG  12  -1.550   0.385   7.189
   82    HB3  ARG  12           2HB      ARG  12  -1.122  -1.893   7.957
   83    HG3  ARG  12           2HG      ARG  12   0.139  -1.204  10.218
   84    HD3  ARG  12           2HD      ARG  12   1.293  -0.011   7.765
   85    HE   ARG  12           HE       ARG  12   3.067  -0.520   9.104
   86   HH11  ARG  12          1HH1      ARG  12   0.796  -3.155   9.219
   87   HH12  ARG  12          2HH1      ARG  12   1.827  -4.173  10.171
   88   HH21  ARG  12          1HH2      ARG  12   4.432  -1.849  10.356
   89   HH22  ARG  12          2HH2      ARG  12   3.894  -3.429  10.818
   90    H    LYS  13           H        LYS  13  -2.509  -1.221   5.815
   91    HA   LYS  13           HA       LYS  13  -5.277  -0.942   5.499
   92    HB3  LYS  13           2HB      LYS  13  -3.864  -1.503   3.621
   93    HG3  LYS  13           2HG      LYS  13  -3.485  -4.262   4.743
   94    HD3  LYS  13           2HD      LYS  13  -1.590  -4.163   3.033
   95    HE3  LYS  13           2HE      LYS  13  -4.291  -3.921   1.752
   96    HZ1  LYS  13           3HZ      LYS  13  -2.470  -4.492   0.312
   97    HZ2  LYS  13           1HZ      LYS  13  -3.459  -5.851   0.513
   98    HZ3  LYS  13           2HZ      LYS  13  -1.986  -5.748   1.338
   99    H    ALA  14           H        ALA  14  -6.937  -1.880   6.484
  100    HA   ALA  14           HA       ALA  14  -6.640  -4.578   7.574
  101    HB1  ALA  14           1HB      ALA  14  -6.281  -3.591   9.589
  102    HB2  ALA  14           2HB      ALA  14  -7.143  -2.117   9.148
  103    HB3  ALA  14           3HB      ALA  14  -8.044  -3.567   9.591
  104    HA   PRO  15           HA       PRO  15 -10.713  -5.249   6.088
  105    HB3  PRO  15           2HB      PRO  15 -10.528  -7.413   6.836
  106    HG3  PRO  15           2HG      PRO  15  -9.457  -7.901   8.842
  107    HD3  PRO  15           2HD      PRO  15  -7.862  -6.558   7.858
  Start of MODEL    3
    1    H1   MET   1           H        MET   1   4.834   1.319   1.214
    2    HA   MET   1           HA       MET   1   3.440  -0.157   2.334
    3    HB3  MET   1           2HB      MET   1   6.079  -0.808   3.651
    4    HG3  MET   1           2HG      MET   1   3.655  -2.433   2.976
    5    HE1  MET   1           3HE      MET   1   4.142  -5.682   3.033
    6    HE2  MET   1           1HE      MET   1   5.173  -5.707   4.463
    7    HE3  MET   1           2HE      MET   1   3.783  -4.625   4.398
    8    H    TRP   2           H        TRP   2   5.786   0.955   4.785
    9    HA   TRP   2           HA       TRP   2   3.695   0.863   6.810
   10    HB3  TRP   2           2HB      TRP   2   5.709   1.619   8.282
   11    HD1  TRP   2           HD       TRP   2   5.888  -1.489   5.940
   12    HE1  TRP   2           1HE      TRP   2   5.793  -3.590   7.423
   13    HE3  TRP   2           3HE      TRP   2   5.508   0.762  10.515
   14    HZ2  TRP   2           2HZ      TRP   2   5.584  -4.212  10.169
   15    HZ3  TRP   2           3HZ      TRP   2   5.364  -0.658  12.520
   16    HH2  TRP   2           HH       TRP   2   5.402  -3.093  12.348
   17    H    GLN   3           H        GLN   3   3.110   2.645   8.102
   18    HA   GLN   3           HA       GLN   3   2.481   4.800   8.467
   19    HB3  GLN   3           2HB      GLN   3   4.191   6.553   8.087
   20    HG3  GLN   3           2HG      GLN   3   4.844   4.043   9.505
   21   HE21  GLN   3          1HE2      GLN   3   6.705   4.534  11.170
   22   HE22  GLN   3          2HE2      GLN   3   8.213   4.953  10.436
   23    H    ARG   4           H        ARG   4   1.873   3.468   5.887
   24    HA   ARG   4           HA       ARG   4   1.809   5.672   3.987
   25    HB3  ARG   4           2HB      ARG   4   0.364   3.638   2.844
   26    HG3  ARG   4           2HG      ARG   4   3.318   3.419   2.671
   27    HD3  ARG   4           2HD      ARG   4   2.897   3.156   0.356
   28    HE   ARG   4           HE       ARG   4   1.574   1.463   2.094
   29   HH11  ARG   4          1HH1      ARG   4   1.248   2.498  -1.213
   30   HH12  ARG   4          2HH1      ARG   4   0.529   1.013  -1.745
   31   HH21  ARG   4          1HH2      ARG   4   0.629  -0.496   1.408
   32   HH22  ARG   4          2HH2      ARG   4   0.178  -0.689  -0.252
   33    H    ARG   5           H        ARG   5  -0.380   3.798   6.006
   34    HA   ARG   5           HA       ARG   5  -2.668   5.341   5.039
   35    HB3  ARG   5           2HB      ARG   5  -3.770   3.708   6.850
   36    HG3  ARG   5           2HG      ARG   5  -2.923   2.405   4.305
   37    HD3  ARG   5           2HD      ARG   5  -4.639   1.607   6.180
   38    HE   ARG   5           HE       ARG   5  -6.061   3.736   5.360
   39   HH11  ARG   5          1HH1      ARG   5  -6.509   0.310   4.935
   40   HH12  ARG   5          2HH1      ARG   5  -8.237   0.410   4.875
   41   HH21  ARG   5          1HH2      ARG   5  -8.336   3.882   5.284
   42   HH22  ARG   5          2HH2      ARG   5  -9.276   2.443   5.074
   43    H    GLN   6           H        GLN   6  -0.346   5.549   7.409
   44    HA   GLN   6           HA       GLN   6  -1.708   6.301   9.710
   45    HB3  GLN   6           2HB      GLN   6   0.570   7.972   9.486
   46    HG3  GLN   6           2HG      GLN   6   0.664   5.236  10.686
   47   HE21  GLN   6          1HE2      GLN   6   0.927   8.608  11.744
   48   HE22  GLN   6          2HE2      GLN   6   2.547   8.479  12.330
   49    H    ARG   7           H        ARG   7  -1.023   8.117   6.790
   50    HA   ARG   7           HA       ARG   7  -1.733  10.670   7.808
   51    HB3  ARG   7           2HB      ARG   7  -2.127  11.067   5.231
   52    HG3  ARG   7           2HG      ARG   7   0.394  10.721   6.727
   53    HD3  ARG   7           2HD      ARG   7   0.777  11.536   3.935
   54    HE   ARG   7           HE       ARG   7   2.474   9.546   5.146
   55   HH11  ARG   7          1HH1      ARG   7   1.766  12.942   4.853
   56   HH12  ARG   7          2HH1      ARG   7   3.362  13.446   5.299
   57   HH21  ARG   7          1HH2      ARG   7   4.579  10.198   5.734
   58   HH22  ARG   7          2HH2      ARG   7   4.962  11.885   5.799
   59    H    ARG   8           H        ARG   8  -3.559   7.951   6.793
   60    HA   ARG   8           HA       ARG   8  -5.983   9.531   6.391
   61    HB3  ARG   8           2HB      ARG   8  -6.833   7.001   6.087
   62    HG3  ARG   8           2HG      ARG   8  -5.766   8.994   4.252
   63    HD3  ARG   8           2HD      ARG   8  -5.985   6.160   3.262
   64    HE   ARG   8           HE       ARG   8  -4.590   8.060   1.659
   65   HH11  ARG   8          1HH1      ARG   8  -7.761   6.912   2.524
   66   HH12  ARG   8          2HH1      ARG   8  -8.491   7.411   1.035
   67   HH21  ARG   8          1HH2      ARG   8  -5.541   8.723  -0.307
   68   HH22  ARG   8          2HH2      ARG   8  -7.227   8.441  -0.576
   69    H    GLY   9           H        GLY   9  -4.546   7.238   8.625
   70    HA2  GLY   9           2HA      GLY   9  -5.237   7.608  10.986
   71    HA3  GLY   9           3HA      GLY   9  -6.889   7.601  10.389
   72    H    GLU  10           H        GLU  10  -4.820   5.376   8.849
   73    HA   GLU  10           HA       GLU  10  -5.894   3.199  10.521
   74    HB3  GLU  10           2HB      GLU  10  -5.469   1.906   8.229
   75    HG3  GLU  10           2HG      GLU  10  -7.914   3.421   7.891
   76    H    GLU  11           H        GLU  11  -3.128   4.753   9.402
   77    HA   GLU  11           HA       GLU  11  -0.916   4.363   9.822
   78    HB3  GLU  11           2HB      GLU  11  -1.510   1.650  10.939
   79    HG3  GLU  11           2HG      GLU  11   0.765   3.201  10.878
   80    H    ARG  12           H        ARG  12  -2.385   1.197   9.074
   81    HA   ARG  12           HA       ARG  12  -0.901   1.128   6.564
   82    HB3  ARG  12           2HB      ARG  12  -0.415  -1.391   7.262
   83    HG3  ARG  12           2HG      ARG  12   1.178   1.058   7.799
   84    HD3  ARG  12           2HD      ARG  12   1.856  -0.209   9.675
   85    HE   ARG  12           HE       ARG  12   1.388  -2.440   9.600
   86   HH11  ARG  12          1HH1      ARG  12   3.045  -1.548   6.671
   87   HH12  ARG  12          2HH1      ARG  12   3.173  -3.177   6.093
   88   HH21  ARG  12          1HH2      ARG  12   1.551  -4.588   8.850
   89   HH22  ARG  12          2HH2      ARG  12   2.322  -4.906   7.333
   90    H    LYS  13           H        LYS  13  -1.694  -0.453   5.063
   91    HA   LYS  13           HA       LYS  13  -4.485  -0.658   4.991
   92    HB3  LYS  13           2HB      LYS  13  -2.564  -2.437   3.489
   93    HG3  LYS  13           2HG      LYS  13  -5.075  -2.803   3.289
   94    HD3  LYS  13           2HD      LYS  13  -4.804  -0.170   1.842
   95    HE3  LYS  13           2HE      LYS  13  -6.087  -1.771   0.503
   96    HZ1  LYS  13           3HZ      LYS  13  -7.538  -2.159   3.038
   97    HZ2  LYS  13           1HZ      LYS  13  -6.987  -3.318   1.935
   98    HZ3  LYS  13           2HZ      LYS  13  -8.339  -2.372   1.563
   99    H    ALA  14           H        ALA  14  -5.771  -1.882   6.188
  100    HA   ALA  14           HA       ALA  14  -5.046  -4.666   6.688
  101    HB1  ALA  14           1HB      ALA  14  -4.353  -4.091   8.754
  102    HB2  ALA  14           2HB      ALA  14  -5.254  -2.574   8.751
  103    HB3  ALA  14           3HB      ALA  14  -6.082  -4.089   9.107
  104    HA   PRO  15           HA       PRO  15  -9.294  -5.503   5.980
  105    HB3  PRO  15           2HB      PRO  15  -8.803  -7.731   6.250
  106    HG3  PRO  15           2HG      PRO  15  -7.281  -8.437   7.860
  107    HD3  PRO  15           2HD      PRO  15  -6.040  -6.785   6.839
  Start of MODEL    4
    1    H1   MET   1           H        MET   1   2.700   0.021   1.626
    2    HA   MET   1           HA       MET   1   1.142  -0.554   3.271
    3    HB3  MET   1           2HB      MET   1   2.391  -2.576   2.470
    4    HG3  MET   1           2HG      MET   1   3.884  -2.242   5.060
    5    HE1  MET   1           3HE      MET   1   2.754  -4.026   6.053
    6    HE2  MET   1           1HE      MET   1   1.999  -5.218   4.994
    7    HE3  MET   1           2HE      MET   1   3.377  -5.676   5.996
    8    H    TRP   2           H        TRP   2   4.295   0.309   4.441
    9    HA   TRP   2           HA       TRP   2   3.327   0.437   7.201
   10    HB3  TRP   2           2HB      TRP   2   5.746   1.003   7.699
   11    HD1  TRP   2           HD       TRP   2   4.028  -1.357   8.589
   12    HE1  TRP   2           1HE      TRP   2   4.897  -3.779   8.540
   13    HE3  TRP   2           3HE      TRP   2   7.771  -0.808   5.148
   14    HZ2  TRP   2           2HZ      TRP   2   6.903  -5.261   7.218
   15    HZ3  TRP   2           3HZ      TRP   2   9.118  -2.777   4.548
   16    HH2  TRP   2           HH       TRP   2   8.693  -4.957   5.562
   17    H    GLN   3           H        GLN   3   2.675   2.287   8.079
   18    HA   GLN   3           HA       GLN   3   2.268   4.499   8.414
   19    HB3  GLN   3           2HB      GLN   3   4.232   5.958   7.202
   20    HG3  GLN   3           2HG      GLN   3   5.476   4.955   9.495
   21   HE21  GLN   3          1HE2      GLN   3   2.809   7.096   8.561
   22   HE22  GLN   3          2HE2      GLN   3   3.524   8.541   9.179
   23    H    ARG   4           H        ARG   4   1.540   3.055   5.837
   24    HA   ARG   4           HA       ARG   4   1.371   5.238   3.928
   25    HB3  ARG   4           2HB      ARG   4  -0.137   3.211   2.873
   26    HG3  ARG   4           2HG      ARG   4   2.815   2.969   2.610
   27    HD3  ARG   4           2HD      ARG   4   1.130   1.676   1.244
   28    HE   ARG   4           HE       ARG   4  -0.516   3.031   0.398
   29   HH11  ARG   4          1HH1      ARG   4   2.597   4.461  -0.222
   30   HH12  ARG   4          2HH1      ARG   4   1.968   5.694  -1.263
   31   HH21  ARG   4          1HH2      ARG   4  -1.355   4.650  -0.972
   32   HH22  ARG   4          2HH2      ARG   4  -0.280   5.801  -1.690
   33    H    ARG   5           H        ARG   5  -0.640   3.579   6.238
   34    HA   ARG   5           HA       ARG   5  -3.023   4.989   5.285
   35    HB3  ARG   5           2HB      ARG   5  -4.301   3.511   6.666
   36    HG3  ARG   5           2HG      ARG   5  -3.683   1.297   5.928
   37    HD3  ARG   5           2HD      ARG   5  -3.447   1.696   3.518
   38    HE   ARG   5           HE       ARG   5  -5.434   3.079   5.057
   39   HH11  ARG   5          1HH1      ARG   5  -4.261   2.428   1.844
   40   HH12  ARG   5          2HH1      ARG   5  -5.791   2.720   1.085
   41   HH21  ARG   5          1HH2      ARG   5  -7.454   3.466   4.070
   42   HH22  ARG   5          2HH2      ARG   5  -7.607   3.311   2.352
   43    H    GLN   6           H        GLN   6  -0.529   5.442   7.434
   44    HA   GLN   6           HA       GLN   6  -1.716   6.411   9.750
   45    HB3  GLN   6           2HB      GLN   6   0.538   8.051   9.079
   46    HG3  GLN   6           2HG      GLN   6   0.979   5.666  10.736
   47   HE21  GLN   6          1HE2      GLN   6   2.621   6.057  12.061
   48   HE22  GLN   6          2HE2      GLN   6   3.305   7.612  12.378
   49    H    ARG   7           H        ARG   7  -1.399   7.879   6.601
   50    HA   ARG   7           HA       ARG   7  -2.012  10.540   7.405
   51    HB3  ARG   7           2HB      ARG   7  -2.677  10.645   4.854
   52    HG3  ARG   7           2HG      ARG   7  -0.039  10.542   6.140
   53    HD3  ARG   7           2HD      ARG   7   0.271  10.928   3.291
   54    HE   ARG   7           HE       ARG   7   1.763   8.863   4.635
   55   HH11  ARG   7          1HH1      ARG   7   1.440  12.281   4.065
   56   HH12  ARG   7          2HH1      ARG   7   3.096  12.632   4.434
   57   HH21  ARG   7          1HH2      ARG   7   3.945   9.311   5.125
   58   HH22  ARG   7          2HH2      ARG   7   4.521  10.941   5.036
   59    H    ARG   8           H        ARG   8  -3.898   7.719   6.793
   60    HA   ARG   8           HA       ARG   8  -6.370   9.261   6.561
   61    HB3  ARG   8           2HB      ARG   8  -7.277   6.779   6.425
   62    HG3  ARG   8           2HG      ARG   8  -6.178   8.566   4.411
   63    HD3  ARG   8           2HD      ARG   8  -6.476   5.646   3.719
   64    HE   ARG   8           HE       ARG   8  -6.690   6.549   1.640
   65   HH11  ARG   8          1HH1      ARG   8  -4.455   8.497   3.464
   66   HH12  ARG   8          2HH1      ARG   8  -4.059   9.528   2.129
   67   HH21  ARG   8          1HH2      ARG   8  -6.178   7.899  -0.127
   68   HH22  ARG   8          2HH2      ARG   8  -5.041   9.186   0.087
   69    H    GLY   9           H        GLY   9  -4.649   7.155   8.764
   70    HA2  GLY   9           2HA      GLY   9  -5.115   7.650  11.155
   71    HA3  GLY   9           3HA      GLY   9  -6.818   7.554  10.732
   72    H    GLU  10           H        GLU  10  -4.759   5.308   9.170
   73    HA   GLU  10           HA       GLU  10  -5.665   3.200  11.020
   74    HB3  GLU  10           2HB      GLU  10  -5.176   1.846   8.720
   75    HG3  GLU  10           2HG      GLU  10  -7.798   2.735   8.363
   76    H    GLU  11           H        GLU  11  -3.007   4.714   9.504
   77    HA   GLU  11           HA       GLU  11  -0.759   4.452   9.819
   78    HB3  GLU  11           2HB      GLU  11  -1.194   1.960  11.425
   79    HG3  GLU  11           2HG      GLU  11   1.020   3.564  10.935
   80    H    ARG  12           H        ARG  12  -2.153   1.166   9.737
   81    HA   ARG  12           HA       ARG  12  -0.550   0.655   7.320
   82    HB3  ARG  12           2HB      ARG  12  -0.237  -1.660   8.080
   83    HG3  ARG  12           2HG      ARG  12   0.794   0.602   9.662
   84    HD3  ARG  12           2HD      ARG  12   0.175  -1.109  11.379
   85    HE   ARG  12           HE       ARG  12   1.629  -2.890   9.660
   86   HH11  ARG  12          1HH1      ARG  12   0.677  -2.236  12.944
   87   HH12  ARG  12          2HH1      ARG  12   0.819  -3.887  13.452
   88   HH21  ARG  12          1HH2      ARG  12   1.820  -5.066  10.316
   89   HH22  ARG  12          2HH2      ARG  12   1.470  -5.496  11.956
   90    H    LYS  13           H        LYS  13  -1.433  -0.874   5.831
   91    HA   LYS  13           HA       LYS  13  -4.193  -0.584   5.390
   92    HB3  LYS  13           2HB      LYS  13  -3.860  -2.339   3.636
   93    HG3  LYS  13           2HG      LYS  13  -2.121   0.060   3.820
   94    HD3  LYS  13           2HD      LYS  13  -0.872  -1.942   2.709
   95    HE3  LYS  13           2HE      LYS  13  -1.387  -1.965   0.235
   96    HZ1  LYS  13           3HZ      LYS  13  -2.795  -3.750   0.445
   97    HZ2  LYS  13           1HZ      LYS  13  -3.692  -3.057   1.701
   98    HZ3  LYS  13           2HZ      LYS  13  -2.147  -3.675   2.005
   99    H    ALA  14           H        ALA  14  -5.906  -1.683   6.100
  100    HA   ALA  14           HA       ALA  14  -5.488  -4.345   7.281
  101    HB1  ALA  14           1HB      ALA  14  -6.505  -1.930   8.578
  102    HB2  ALA  14           2HB      ALA  14  -7.538  -3.345   8.782
  103    HB3  ALA  14           3HB      ALA  14  -5.848  -3.408   9.282
  104    HA   PRO  15           HA       PRO  15  -8.964  -5.696   4.969
  105    HB3  PRO  15           2HB      PRO  15  -8.626  -7.784   5.865
  106    HG3  PRO  15           2HG      PRO  15  -7.975  -8.046   8.082
  107    HD3  PRO  15           2HD      PRO  15  -6.423  -6.487   7.395
  Start of MODEL    5
    1    H1   MET   1           H        MET   1   4.804  -1.649   2.828
    2    HA   MET   1           HA       MET   1   2.013  -1.161   3.388
    3    HB3  MET   1           2HB      MET   1   1.915  -3.456   4.070
    4    HG3  MET   1           2HG      MET   1   3.986  -3.654   1.940
    5    HE1  MET   1           3HE      MET   1   3.381  -6.213   0.174
    6    HE2  MET   1           1HE      MET   1   4.481  -5.576   1.397
    7    HE3  MET   1           2HE      MET   1   3.639  -7.100   1.677
    8    H    TRP   2           H        TRP   2   4.075   0.439   4.770
    9    HA   TRP   2           HA       TRP   2   3.081   0.014   7.481
   10    HB3  TRP   2           2HB      TRP   2   5.267  -1.174   7.321
   11    HD1  TRP   2           HD       TRP   2   6.080   0.012   4.689
   12    HE1  TRP   2           1HE      TRP   2   8.306   1.251   4.324
   13    HE3  TRP   2           3HE      TRP   2   7.105   1.286   9.533
   14    HZ2  TRP   2           2HZ      TRP   2  10.241   2.591   5.882
   15    HZ3  TRP   2           3HZ      TRP   2   9.163   2.545  10.011
   16    HH2  TRP   2           HH       TRP   2  10.698   3.183   8.223
   17    H    GLN   3           H        GLN   3   2.552   1.875   8.451
   18    HA   GLN   3           HA       GLN   3   2.228   4.098   8.800
   19    HB3  GLN   3           2HB      GLN   3   4.328   5.528   7.981
   20    HG3  GLN   3           2HG      GLN   3   4.430   3.602  10.291
   21   HE21  GLN   3          1HE2      GLN   3   6.407   3.390  11.031
   22   HE22  GLN   3          2HE2      GLN   3   7.622   4.618  11.070
   23    H    ARG   4           H        ARG   4   1.615   2.802   6.145
   24    HA   ARG   4           HA       ARG   4   1.807   5.040   4.298
   25    HB3  ARG   4           2HB      ARG   4   0.245   3.097   3.089
   26    HG3  ARG   4           2HG      ARG   4   3.187   2.794   2.891
   27    HD3  ARG   4           2HD      ARG   4   0.851   2.933   1.011
   28    HE   ARG   4           HE       ARG   4   3.366   3.840   0.306
   29   HH11  ARG   4          1HH1      ARG   4   1.165   1.339  -0.705
   30   HH12  ARG   4          2HH1      ARG   4   1.711   1.341  -2.349
   31   HH21  ARG   4          1HH2      ARG   4   4.093   3.853  -1.856
   32   HH22  ARG   4          2HH2      ARG   4   3.377   2.771  -3.002
   33    H    ARG   5           H        ARG   5  -0.539   3.437   6.319
   34    HA   ARG   5           HA       ARG   5  -2.709   5.055   5.202
   35    HB3  ARG   5           2HB      ARG   5  -4.056   3.628   6.918
   36    HG3  ARG   5           2HG      ARG   5  -3.104   1.664   5.024
   37    HD3  ARG   5           2HD      ARG   5  -5.359   1.790   6.083
   38    HE   ARG   5           HE       ARG   5  -5.507   4.361   5.318
   39   HH11  ARG   5          1HH1      ARG   5  -7.325   1.537   4.398
   40   HH12  ARG   5          2HH1      ARG   5  -8.781   2.419   4.077
   41   HH21  ARG   5          1HH2      ARG   5  -7.418   5.533   4.898
   42   HH22  ARG   5          2HH2      ARG   5  -8.832   4.692   4.361
   43    H    GLN   6           H        GLN   6  -0.422   5.256   7.596
   44    HA   GLN   6           HA       GLN   6  -1.779   6.206   9.831
   45    HB3  GLN   6           2HB      GLN   6   0.646   7.698   9.461
   46    HG3  GLN   6           2HG      GLN   6   0.433   5.197  11.084
   47   HE21  GLN   6          1HE2      GLN   6   1.268   8.648  11.104
   48   HE22  GLN   6          2HE2      GLN   6   2.760   8.456  11.953
   49    H    ARG   7           H        ARG   7  -1.046   7.766   6.800
   50    HA   ARG   7           HA       ARG   7  -1.554  10.431   7.667
   51    HB3  ARG   7           2HB      ARG   7  -1.931  10.689   5.068
   52    HG3  ARG   7           2HG      ARG   7   0.542  10.339   6.615
   53    HD3  ARG   7           2HD      ARG   7   1.155  10.838   3.826
   54    HE   ARG   7           HE       ARG   7   2.407   8.644   5.213
   55   HH11  ARG   7          1HH1      ARG   7   2.311  12.095   4.764
   56   HH12  ARG   7          2HH1      ARG   7   3.939  12.342   5.303
   57   HH21  ARG   7          1HH2      ARG   7   4.552   8.956   5.924
   58   HH22  ARG   7          2HH2      ARG   7   5.213  10.555   5.962
   59    H    ARG   8           H        ARG   8  -3.554   7.776   6.844
   60    HA   ARG   8           HA       ARG   8  -5.873   9.476   6.326
   61    HB3  ARG   8           2HB      ARG   8  -6.900   7.010   6.186
   62    HG3  ARG   8           2HG      ARG   8  -5.786   8.819   4.260
   63    HD3  ARG   8           2HD      ARG   8  -5.872   6.028   3.217
   64    HE   ARG   8           HE       ARG   8  -3.991   7.904   2.148
   65   HH11  ARG   8          1HH1      ARG   8  -7.324   6.900   2.119
   66   HH12  ARG   8          2HH1      ARG   8  -7.636   7.531   0.536
   67   HH21  ARG   8          1HH2      ARG   8  -4.389   8.739   0.063
   68   HH22  ARG   8          2HH2      ARG   8  -5.966   8.576  -0.633
   69    H    GLY   9           H        GLY   9  -4.588   7.244   8.713
   70    HA2  GLY   9           2HA      GLY   9  -5.244   7.839  11.044
   71    HA3  GLY   9           3HA      GLY   9  -6.896   7.886  10.445
   72    H    GLU  10           H        GLU  10  -4.934   5.436   9.100
   73    HA   GLU  10           HA       GLU  10  -6.133   3.455  10.924
   74    HB3  GLU  10           2HB      GLU  10  -5.874   1.951   8.773
   75    HG3  GLU  10           2HG      GLU  10  -8.091   3.978   8.806
   76    H    GLU  11           H        GLU  11  -3.298   4.791   9.779
   77    HA   GLU  11           HA       GLU  11  -1.111   4.293  10.203
   78    HB3  GLU  11           2HB      GLU  11  -0.524   2.663  11.797
   79    HG3  GLU  11           2HG      GLU  11  -1.954   2.949  13.630
   80    H    ARG  12           H        ARG  12  -2.726   1.167   9.597
   81    HA   ARG  12           HA       ARG  12  -1.099   0.885   7.167
   82    HB3  ARG  12           2HB      ARG  12  -0.442  -1.314   7.677
   83    HG3  ARG  12           2HG      ARG  12  -0.253  -0.586  10.495
   84    HD3  ARG  12           2HD      ARG  12   2.249  -0.500   9.446
   85    HE   ARG  12           HE       ARG  12   0.991  -2.252  11.052
   86   HH11  ARG  12          1HH1      ARG  12   3.043  -2.663   8.271
   87   HH12  ARG  12          2HH1      ARG  12   3.683  -4.183   8.804
   88   HH21  ARG  12          1HH2      ARG  12   1.825  -4.251  11.766
   89   HH22  ARG  12          2HH2      ARG  12   2.988  -5.086  10.792
   90    H    LYS  13           H        LYS  13  -1.982  -0.572   5.584
   91    HA   LYS  13           HA       LYS  13  -4.731  -0.267   5.172
   92    HB3  LYS  13           2HB      LYS  13  -2.854  -2.298   3.948
   93    HG3  LYS  13           2HG      LYS  13  -4.595  -1.655   1.987
   94    HD3  LYS  13           2HD      LYS  13  -5.823  -3.841   2.991
   95    HE3  LYS  13           2HE      LYS  13  -3.177  -3.581   1.591
   96    HZ1  LYS  13           3HZ      LYS  13  -4.290  -5.924   2.748
   97    HZ2  LYS  13           1HZ      LYS  13  -2.815  -5.726   1.945
   98    HZ3  LYS  13           2HZ      LYS  13  -4.216  -6.072   1.064
   99    H    ALA  14           H        ALA  14  -6.351  -1.184   6.231
  100    HA   ALA  14           HA       ALA  14  -6.111  -4.011   7.003
  101    HB1  ALA  14           1HB      ALA  14  -6.503  -1.711   8.745
  102    HB2  ALA  14           2HB      ALA  14  -7.741  -2.952   8.949
  103    HB3  ALA  14           3HB      ALA  14  -6.037  -3.366   9.139
  104    HA   PRO  15           HA       PRO  15 -10.085  -4.623   5.246
  105    HB3  PRO  15           2HB      PRO  15  -9.918  -6.830   5.864
  106    HG3  PRO  15           2HG      PRO  15  -8.961  -7.438   7.895
  107    HD3  PRO  15           2HD      PRO  15  -7.329  -6.019   7.096
  Start of MODEL    6
    1    H1   MET   1           H        MET   1   5.225  -1.181   2.494
    2    HA   MET   1           HA       MET   1   3.395   0.495   3.047
    3    HB3  MET   1           2HB      MET   1   1.824  -1.290   3.957
    4    HG3  MET   1           2HG      MET   1   3.338  -2.393   1.634
    5    HE1  MET   1           3HE      MET   1   1.131  -5.122   2.146
    6    HE2  MET   1           1HE      MET   1   2.408  -4.251   2.994
    7    HE3  MET   1           2HE      MET   1   0.764  -4.248   3.632
    8    H    TRP   2           H        TRP   2   5.208   1.362   4.851
    9    HA   TRP   2           HA       TRP   2   3.834   1.071   7.442
   10    HB3  TRP   2           2HB      TRP   2   6.055   1.872   8.408
   11    HD1  TRP   2           HD       TRP   2   4.512  -0.559   9.176
   12    HE1  TRP   2           1HE      TRP   2   5.522  -2.925   9.266
   13    HE3  TRP   2           3HE      TRP   2   8.510   0.148   6.070
   14    HZ2  TRP   2           2HZ      TRP   2   7.724  -4.308   8.165
   15    HZ3  TRP   2           3HZ      TRP   2  10.020  -1.747   5.640
   16    HH2  TRP   2           HH       TRP   2   9.634  -3.927   6.668
   17    H    GLN   3           H        GLN   3   3.070   2.858   8.429
   18    HA   GLN   3           HA       GLN   3   2.409   5.011   8.737
   19    HB3  GLN   3           2HB      GLN   3   4.045   6.743   8.522
   20    HG3  GLN   3           2HG      GLN   3   5.445   4.153   9.143
   21   HE21  GLN   3          1HE2      GLN   3   7.118   4.580  10.886
   22   HE22  GLN   3          2HE2      GLN   3   8.193   5.904  10.606
   23    H    ARG   4           H        ARG   4   1.845   3.571   6.193
   24    HA   ARG   4           HA       ARG   4   1.708   5.709   4.226
   25    HB3  ARG   4           2HB      ARG   4   0.299   3.577   3.186
   26    HG3  ARG   4           2HG      ARG   4   3.248   3.477   2.914
   27    HD3  ARG   4           2HD      ARG   4   1.455   2.227   1.537
   28    HE   ARG   4           HE       ARG   4   0.628   4.799   0.894
   29   HH11  ARG   4          1HH1      ARG   4   1.583   1.888  -0.760
   30   HH12  ARG   4          2HH1      ARG   4   0.594   2.197  -2.149
   31   HH21  ARG   4          1HH2      ARG   4  -0.678   5.218  -0.929
   32   HH22  ARG   4          2HH2      ARG   4  -0.690   4.092  -2.244
   33    H    ARG   5           H        ARG   5  -0.411   3.886   6.350
   34    HA   ARG   5           HA       ARG   5  -2.758   5.286   5.315
   35    HB3  ARG   5           2HB      ARG   5  -4.079   3.712   6.470
   36    HG3  ARG   5           2HG      ARG   5  -3.269   1.533   5.881
   37    HD3  ARG   5           2HD      ARG   5  -2.679   1.862   3.557
   38    HE   ARG   5           HE       ARG   5  -4.785   3.480   4.676
   39   HH11  ARG   5          1HH1      ARG   5  -3.206   2.409   1.764
   40   HH12  ARG   5          2HH1      ARG   5  -4.584   2.701   0.755
   41   HH21  ARG   5          1HH2      ARG   5  -6.605   3.869   3.358
   42   HH22  ARG   5          2HH2      ARG   5  -6.516   3.532   1.662
   43    H    GLN   6           H        GLN   6  -0.412   5.760   7.618
   44    HA   GLN   6           HA       GLN   6  -1.762   6.636   9.881
   45    HB3  GLN   6           2HB      GLN   6   0.574   8.257   9.117
   46    HG3  GLN   6           2HG      GLN   6  -0.025   6.443  11.440
   47   HE21  GLN   6          1HE2      GLN   6   2.205   5.618  10.685
   48   HE22  GLN   6          2HE2      GLN   6   3.564   6.399  11.412
   49    H    ARG   7           H        ARG   7  -1.260   8.214   6.801
   50    HA   ARG   7           HA       ARG   7  -2.018  10.824   7.627
   51    HB3  ARG   7           2HB      ARG   7  -2.511  11.001   5.051
   52    HG3  ARG   7           2HG      ARG   7   0.027  10.906   6.505
   53    HD3  ARG   7           2HD      ARG   7   0.667  11.319   3.754
   54    HE   ARG   7           HE       ARG   7   1.746   9.774   5.934
   55   HH11  ARG   7          1HH1      ARG   7   1.973  10.525   2.542
   56   HH12  ARG   7          2HH1      ARG   7   3.635  10.053   2.415
   57   HH21  ARG   7          1HH2      ARG   7   3.934   9.149   5.779
   58   HH22  ARG   7          2HH2      ARG   7   4.749   9.269   4.258
   59    H    ARG   8           H        ARG   8  -3.776   7.967   6.888
   60    HA   ARG   8           HA       ARG   8  -6.273   9.432   6.484
   61    HB3  ARG   8           2HB      ARG   8  -7.063   6.886   6.343
   62    HG3  ARG   8           2HG      ARG   8  -6.103   8.781   4.383
   63    HD3  ARG   8           2HD      ARG   8  -6.127   5.925   3.468
   64    HE   ARG   8           HE       ARG   8  -4.606   7.817   1.984
   65   HH11  ARG   8          1HH1      ARG   8  -7.851   6.718   2.598
   66   HH12  ARG   8          2HH1      ARG   8  -8.456   7.229   1.058
   67   HH21  ARG   8          1HH2      ARG   8  -5.390   8.496  -0.048
   68   HH22  ARG   8          2HH2      ARG   8  -7.055   8.241  -0.447
   69    H    GLY   9           H        GLY   9  -4.667   7.326   8.789
   70    HA2  GLY   9           2HA      GLY   9  -5.288   7.834  11.151
   71    HA3  GLY   9           3HA      GLY   9  -6.958   7.705  10.619
   72    H    GLU  10           H        GLU  10  -4.787   5.493   9.176
   73    HA   GLU  10           HA       GLU  10  -5.731   3.376  10.997
   74    HB3  GLU  10           2HB      GLU  10  -5.707   1.842   9.092
   75    HG3  GLU  10           2HG      GLU  10  -7.499   4.037   9.318
   76    H    GLU  11           H        GLU  11  -3.049   4.902   9.510
   77    HA   GLU  11           HA       GLU  11  -0.807   4.674   9.887
   78    HB3  GLU  11           2HB      GLU  11  -0.885   2.211  11.463
   79    HG3  GLU  11           2HG      GLU  11   0.639   4.561  11.370
   80    H    ARG  12           H        ARG  12  -2.164   1.372   9.851
   81    HA   ARG  12           HA       ARG  12  -0.479   0.815   7.499
   82    HB3  ARG  12           2HB      ARG  12   0.478  -0.330   9.399
   83    HG3  ARG  12           2HG      ARG  12  -1.799  -2.130   9.849
   84    HD3  ARG  12           2HD      ARG  12  -0.254  -0.710  11.962
   85    HE   ARG  12           HE       ARG  12  -1.284  -2.403  13.081
   86   HH11  ARG  12          1HH1      ARG  12  -0.291  -3.592   9.963
   87   HH12  ARG  12          2HH1      ARG  12  -0.801  -5.217  10.275
   88   HH21  ARG  12          1HH2      ARG  12  -1.960  -4.540  13.504
   89   HH22  ARG  12          2HH2      ARG  12  -1.751  -5.755  12.289
   90    H    LYS  13           H        LYS  13  -1.321  -0.647   5.961
   91    HA   LYS  13           HA       LYS  13  -4.186  -0.528   5.713
   92    HB3  LYS  13           2HB      LYS  13  -2.114  -1.852   3.953
   93    HG3  LYS  13           2HG      LYS  13  -4.571  -0.918   2.703
   94    HD3  LYS  13           2HD      LYS  13  -2.636  -3.135   2.511
   95    HE3  LYS  13           2HE      LYS  13  -5.545  -3.453   1.809
   96    HZ1  LYS  13           3HZ      LYS  13  -3.435  -4.189   0.199
   97    HZ2  LYS  13           1HZ      LYS  13  -5.033  -4.739   0.096
   98    HZ3  LYS  13           2HZ      LYS  13  -3.894  -5.611   0.993
   99    H    ALA  14           H        ALA  14  -5.487  -1.932   6.675
  100    HA   ALA  14           HA       ALA  14  -4.847  -4.778   6.568
  101    HB1  ALA  14           1HB      ALA  14  -5.896  -4.519   9.115
  102    HB2  ALA  14           2HB      ALA  14  -4.211  -4.838   8.701
  103    HB3  ALA  14           3HB      ALA  14  -4.752  -3.183   8.987
  104    HA   PRO  15           HA       PRO  15  -9.136  -5.311   5.808
  105    HB3  PRO  15           2HB      PRO  15  -8.720  -7.560   5.585
  106    HG3  PRO  15           2HG      PRO  15  -7.194  -8.641   6.968
  107    HD3  PRO  15           2HD      PRO  15  -5.915  -6.848   6.291
  Start of MODEL    7
    1    H1   MET   1           H        MET   1   5.136  -1.669   2.576
    2    HA   MET   1           HA       MET   1   3.225   0.105   2.893
    3    HB3  MET   1           2HB      MET   1   1.655  -1.773   3.656
    4    HG3  MET   1           2HG      MET   1   3.357  -1.876   1.219
    5    HE1  MET   1           3HE      MET   1   1.901  -4.165  -1.009
    6    HE2  MET   1           1HE      MET   1   0.338  -4.266  -0.197
    7    HE3  MET   1           2HE      MET   1   1.104  -2.696  -0.442
    8    H    TRP   2           H        TRP   2   5.031   0.719   4.969
    9    HA   TRP   2           HA       TRP   2   3.308   0.496   7.349
   10    HB3  TRP   2           2HB      TRP   2   5.458  -0.578   7.706
   11    HD1  TRP   2           HD       TRP   2   7.073   2.822   8.167
   12    HE1  TRP   2           1HE      TRP   2   9.174   2.965   6.686
   13    HE3  TRP   2           3HE      TRP   2   6.437  -1.456   5.440
   14    HZ2  TRP   2           2HZ      TRP   2  10.398   1.463   4.634
   15    HZ3  TRP   2           3HZ      TRP   2   8.117  -2.030   3.738
   16    HH2  TRP   2           HH       TRP   2  10.057  -0.599   3.344
   17    H    GLN   3           H        GLN   3   2.822   2.327   8.522
   18    HA   GLN   3           HA       GLN   3   2.345   4.524   8.864
   19    HB3  GLN   3           2HB      GLN   3   4.312   6.104   8.086
   20    HG3  GLN   3           2HG      GLN   3   3.944   5.692  10.412
   21   HE21  GLN   3          1HE2      GLN   3   6.599   3.657  10.680
   22   HE22  GLN   3          2HE2      GLN   3   5.780   2.238  11.229
   23    H    ARG   4           H        ARG   4   1.699   3.214   6.260
   24    HA   ARG   4           HA       ARG   4   1.783   5.427   4.372
   25    HB3  ARG   4           2HB      ARG   4   0.231   3.445   3.231
   26    HG3  ARG   4           2HG      ARG   4   3.182   3.190   3.000
   27    HD3  ARG   4           2HD      ARG   4   1.380   2.013   1.583
   28    HE   ARG   4           HE       ARG   4   0.657   4.636   0.948
   29   HH11  ARG   4          1HH1      ARG   4   1.408   1.638  -0.656
   30   HH12  ARG   4          2HH1      ARG   4   0.404   1.969  -2.027
   31   HH21  ARG   4          1HH2      ARG   4  -0.669   5.083  -0.854
   32   HH22  ARG   4          2HH2      ARG   4  -0.777   3.929  -2.140
   33    H    ARG   5           H        ARG   5  -0.602   3.544   6.189
   34    HA   ARG   5           HA       ARG   5  -2.767   5.237   5.236
   35    HB3  ARG   5           2HB      ARG   5  -3.906   3.640   7.119
   36    HG3  ARG   5           2HG      ARG   5  -3.612   3.523   4.235
   37    HD3  ARG   5           2HD      ARG   5  -4.323   1.233   3.949
   38    HE   ARG   5           HE       ARG   5  -1.974   0.752   5.557
   39   HH11  ARG   5          1HH1      ARG   5  -3.225   1.974   2.547
   40   HH12  ARG   5          2HH1      ARG   5  -1.731   1.770   1.693
   41   HH21  ARG   5          1HH2      ARG   5  -0.003   0.477   4.445
   42   HH22  ARG   5          2HH2      ARG   5   0.101   0.917   2.773
   43    H    GLN   6           H        GLN   6  -0.472   5.429   7.605
   44    HA   GLN   6           HA       GLN   6  -1.834   6.238   9.894
   45    HB3  GLN   6           2HB      GLN   6   0.410   7.822   9.907
   46    HG3  GLN   6           2HG      GLN   6   0.951   4.990  10.474
   47   HE21  GLN   6          1HE2      GLN   6   0.265   8.150  11.943
   48   HE22  GLN   6          2HE2      GLN   6   1.696   8.202  12.909
   49    H    ARG   7           H        ARG   7  -1.375   7.860   6.881
   50    HA   ARG   7           HA       ARG   7  -1.918  10.501   7.874
   51    HB3  ARG   7           2HB      ARG   7  -2.330  10.830   5.281
   52    HG3  ARG   7           2HG      ARG   7   0.165  10.580   6.816
   53    HD3  ARG   7           2HD      ARG   7   0.689  11.196   4.016
   54    HE   ARG   7           HE       ARG   7   2.195   9.148   5.373
   55   HH11  ARG   7          1HH1      ARG   7   1.726  12.569   4.930
   56   HH12  ARG   7          2HH1      ARG   7   3.329  12.987   5.434
   57   HH21  ARG   7          1HH2      ARG   7   4.310   9.685   6.039
   58   HH22  ARG   7          2HH2      ARG   7   4.798  11.345   6.064
   59    H    ARG   8           H        ARG   8  -3.794   7.790   6.925
   60    HA   ARG   8           HA       ARG   8  -6.195   9.403   6.506
   61    HB3  ARG   8           2HB      ARG   8  -7.106   6.907   6.227
   62    HG3  ARG   8           2HG      ARG   8  -6.019   8.847   4.393
   63    HD3  ARG   8           2HD      ARG   8  -6.121   6.078   3.269
   64    HE   ARG   8           HE       ARG   8  -5.342   8.654   2.258
   65   HH11  ARG   8          1HH1      ARG   8  -4.981   5.209   1.909
   66   HH12  ARG   8          2HH1      ARG   8  -4.526   5.294   0.239
   67   HH21  ARG   8          1HH2      ARG   8  -4.745   8.779   0.061
   68   HH22  ARG   8          2HH2      ARG   8  -4.391   7.326  -0.811
   69    H    GLY   9           H        GLY   9  -4.823   7.048   8.736
   70    HA2  GLY   9           2HA      GLY   9  -5.483   7.494  11.109
   71    HA3  GLY   9           3HA      GLY   9  -7.137   7.503  10.518
   72    H    GLU  10           H        GLU  10  -5.116   5.225   8.994
   73    HA   GLU  10           HA       GLU  10  -6.226   3.088  10.694
   74    HB3  GLU  10           2HB      GLU  10  -5.951   1.691   8.532
   75    HG3  GLU  10           2HG      GLU  10  -8.064   3.789   8.877
   76    H    GLU  11           H        GLU  11  -3.427   4.432   9.183
   77    HA   GLU  11           HA       GLU  11  -1.206   4.026   9.528
   78    HB3  GLU  11           2HB      GLU  11  -0.476   2.726  11.344
   79    HG3  GLU  11           2HG      GLU  11  -3.228   3.216  12.369
   80    H    ARG  12           H        ARG  12  -2.811   0.839   9.628
   81    HA   ARG  12           HA       ARG  12  -1.182   0.062   7.298
   82    HB3  ARG  12           2HB      ARG  12  -1.507  -2.315   8.269
   83    HG3  ARG  12           2HG      ARG  12   0.615  -0.786   8.364
   84    HD3  ARG  12           2HD      ARG  12  -0.561   0.101  10.648
   85    HE   ARG  12           HE       ARG  12  -0.153  -1.487  12.243
   86   HH11  ARG  12          1HH1      ARG  12   2.634  -1.214  10.173
   87   HH12  ARG  12          2HH1      ARG  12   3.621  -2.253  11.147
   88   HH21  ARG  12          1HH2      ARG  12   1.137  -2.856  13.532
   89   HH22  ARG  12          2HH2      ARG  12   2.768  -3.187  13.057
   90    H    LYS  13           H        LYS  13  -2.144  -1.525   5.873
   91    HA   LYS  13           HA       LYS  13  -4.754  -0.899   5.107
   92    HB3  LYS  13           2HB      LYS  13  -3.217  -1.830   3.511
   93    HG3  LYS  13           2HG      LYS  13  -3.361  -4.524   4.802
   94    HD3  LYS  13           2HD      LYS  13  -1.160  -4.710   3.550
   95    HE3  LYS  13           2HE      LYS  13  -2.392  -4.731   1.257
   96    HZ1  LYS  13           3HZ      LYS  13  -3.888  -6.483   2.965
   97    HZ2  LYS  13           1HZ      LYS  13  -2.228  -6.531   3.283
   98    HZ3  LYS  13           2HZ      LYS  13  -2.800  -6.855   1.725
   99    H    ALA  14           H        ALA  14  -6.571  -1.314   6.163
  100    HA   ALA  14           HA       ALA  14  -7.043  -4.004   7.189
  101    HB1  ALA  14           1HB      ALA  14  -6.405  -1.834   8.891
  102    HB2  ALA  14           2HB      ALA  14  -8.114  -2.207   9.117
  103    HB3  ALA  14           3HB      ALA  14  -6.901  -3.468   9.335
  104    HA   PRO  15           HA       PRO  15 -11.138  -3.447   5.716
  105    HB3  PRO  15           2HB      PRO  15 -11.603  -5.572   6.456
  106    HG3  PRO  15           2HG      PRO  15 -10.735  -6.359   8.464
  107    HD3  PRO  15           2HD      PRO  15  -8.810  -5.543   7.493
  Start of MODEL    8
    1    H1   MET   1           H        MET   1   4.501   0.593   2.281
    2    HA   MET   1           HA       MET   1   2.954  -1.576   3.239
    3    HB3  MET   1           2HB      MET   1   5.213  -2.255   4.285
    4    HG3  MET   1           2HG      MET   1   6.295  -2.484   1.943
    5    HE1  MET   1           3HE      MET   1   6.348  -4.503   3.775
    6    HE2  MET   1           1HE      MET   1   5.651  -5.986   3.122
    7    HE3  MET   1           2HE      MET   1   6.712  -4.996   2.121
    8    H    TRP   2           H        TRP   2   4.912   0.852   4.967
    9    HA   TRP   2           HA       TRP   2   3.195   0.410   7.319
   10    HB3  TRP   2           2HB      TRP   2   5.322  -0.609   7.807
   11    HD1  TRP   2           HD       TRP   2   6.564   3.059   7.588
   12    HE1  TRP   2           1HE      TRP   2   8.852   3.050   6.408
   13    HE3  TRP   2           3HE      TRP   2   6.877  -1.918   6.462
   14    HZ2  TRP   2           2HZ      TRP   2  10.562   1.182   5.164
   15    HZ3  TRP   2           3HZ      TRP   2   8.872  -2.735   5.275
   16    HH2  TRP   2           HH       TRP   2  10.675  -1.215   4.640
   17    H    GLN   3           H        GLN   3   2.708   2.218   8.576
   18    HA   GLN   3           HA       GLN   3   2.141   4.397   8.915
   19    HB3  GLN   3           2HB      GLN   3   4.060   6.049   8.248
   20    HG3  GLN   3           2HG      GLN   3   4.424   3.888  10.307
   21   HE21  GLN   3          1HE2      GLN   3   5.788   4.580  12.114
   22   HE22  GLN   3          2HE2      GLN   3   7.218   5.487  11.771
   23    H    ARG   4           H        ARG   4   1.544   3.115   6.302
   24    HA   ARG   4           HA       ARG   4   1.634   5.337   4.427
   25    HB3  ARG   4           2HB      ARG   4   0.122   3.372   3.235
   26    HG3  ARG   4           2HG      ARG   4   3.066   3.049   3.092
   27    HD3  ARG   4           2HD      ARG   4   1.083   3.557   0.895
   28    HE   ARG   4           HE       ARG   4   3.805   3.048   0.829
   29   HH11  ARG   4          1HH1      ARG   4   0.897   1.701  -0.531
   30   HH12  ARG   4          2HH1      ARG   4   1.681   1.120  -1.963
   31   HH21  ARG   4          1HH2      ARG   4   4.848   2.287  -1.051
   32   HH22  ARG   4          2HH2      ARG   4   3.928   1.452  -2.257
   33    H    ARG   5           H        ARG   5  -0.701   3.536   6.348
   34    HA   ARG   5           HA       ARG   5  -2.879   5.212   5.347
   35    HB3  ARG   5           2HB      ARG   5  -3.997   3.527   7.206
   36    HG3  ARG   5           2HG      ARG   5  -3.526   2.916   4.296
   37    HD3  ARG   5           2HD      ARG   5  -4.765   1.389   6.365
   38    HE   ARG   5           HE       ARG   5  -6.933   2.055   6.001
   39   HH11  ARG   5          1HH1      ARG   5  -5.298   1.669   2.952
   40   HH12  ARG   5          2HH1      ARG   5  -6.743   1.824   2.008
   41   HH21  ARG   5          1HH2      ARG   5  -8.842   2.260   4.770
   42   HH22  ARG   5          2HH2      ARG   5  -8.758   2.161   3.043
   43    H    GLN   6           H        GLN   6  -0.626   5.257   7.785
   44    HA   GLN   6           HA       GLN   6  -2.037   6.023  10.060
   45    HB3  GLN   6           2HB      GLN   6   0.342   5.516  10.118
   46    HG3  GLN   6           2HG      GLN   6   0.705   6.930   7.900
   47   HE21  GLN   6          1HE2      GLN   6   2.698   8.611   7.749
   48   HE22  GLN   6          2HE2      GLN   6   2.328  10.140   8.463
   49    H    ARG   7           H        ARG   7  -1.422   7.740   7.129
   50    HA   ARG   7           HA       ARG   7  -1.882  10.364   8.184
   51    HB3  ARG   7           2HB      ARG   7  -2.290  10.754   5.587
   52    HG3  ARG   7           2HG      ARG   7   0.211  10.402   7.115
   53    HD3  ARG   7           2HD      ARG   7   0.667  11.174   4.331
   54    HE   ARG   7           HE       ARG   7   2.255   9.104   5.547
   55   HH11  ARG   7          1HH1      ARG   7   1.683  12.531   5.331
   56   HH12  ARG   7          2HH1      ARG   7   3.285  12.963   5.829
   57   HH21  ARG   7          1HH2      ARG   7   4.367   9.659   6.204
   58   HH22  ARG   7          2HH2      ARG   7   4.811  11.328   6.325
   59    H    ARG   8           H        ARG   8  -3.869   7.765   7.136
   60    HA   ARG   8           HA       ARG   8  -6.198   9.494   6.780
   61    HB3  ARG   8           2HB      ARG   8  -7.264   7.133   6.339
   62    HG3  ARG   8           2HG      ARG   8  -5.935   8.991   4.643
   63    HD3  ARG   8           2HD      ARG   8  -5.933   6.363   3.297
   64    HE   ARG   8           HE       ARG   8  -4.964   8.875   2.672
   65   HH11  ARG   8          1HH1      ARG   8  -3.762   5.607   2.728
   66   HH12  ARG   8          2HH1      ARG   8  -2.634   5.862   1.438
   67   HH21  ARG   8          1HH2      ARG   8  -3.482   9.222   0.973
   68   HH22  ARG   8          2HH2      ARG   8  -2.475   7.919   0.441
   69    H    GLY   9           H        GLY   9  -4.889   7.068   8.953
   70    HA2  GLY   9           2HA      GLY   9  -5.555   7.437  11.327
   71    HA3  GLY   9           3HA      GLY   9  -7.206   7.517  10.733
   72    H    GLU  10           H        GLU  10  -5.305   5.228   9.106
   73    HA   GLU  10           HA       GLU  10  -6.470   3.072  10.745
   74    HB3  GLU  10           2HB      GLU  10  -6.630   1.722   8.742
   75    HG3  GLU  10           2HG      GLU  10  -8.250   3.839   9.188
   76    H    GLU  11           H        GLU  11  -3.615   4.432   9.434
   77    HA   GLU  11           HA       GLU  11  -1.417   3.939   9.818
   78    HB3  GLU  11           2HB      GLU  11  -2.141   1.400  11.232
   79    HG3  GLU  11           2HG      GLU  11   0.024   3.442  11.459
   80    H    ARG  12           H        ARG  12  -3.113   0.818   9.453
   81    HA   ARG  12           HA       ARG  12  -1.576   0.358   6.994
   82    HB3  ARG  12           2HB      ARG  12  -1.682  -2.156   7.908
   83    HG3  ARG  12           2HG      ARG  12   0.357  -0.674   7.329
   84    HD3  ARG  12           2HD      ARG  12  -0.136   0.397   9.788
   85    HE   ARG  12           HE       ARG  12   0.837  -0.963  11.332
   86   HH11  ARG  12          1HH1      ARG  12   2.686  -1.139   8.387
   87   HH12  ARG  12          2HH1      ARG  12   3.914  -2.155   9.067
   88   HH21  ARG  12          1HH2      ARG  12   2.447  -2.300  12.237
   89   HH22  ARG  12          2HH2      ARG  12   3.778  -2.815  11.256
   90    H    LYS  13           H        LYS  13  -2.545  -1.152   5.523
   91    HA   LYS  13           HA       LYS  13  -5.308  -0.825   5.211
   92    HB3  LYS  13           2HB      LYS  13  -3.542  -2.961   3.998
   93    HG3  LYS  13           2HG      LYS  13  -5.227  -2.415   2.042
   94    HD3  LYS  13           2HD      LYS  13  -6.335  -4.197   4.159
   95    HE3  LYS  13           2HE      LYS  13  -7.234  -4.070   1.818
   96    HZ1  LYS  13           3HZ      LYS  13  -5.552  -5.721   0.473
   97    HZ2  LYS  13           1HZ      LYS  13  -4.487  -4.639   1.220
   98    HZ3  LYS  13           2HZ      LYS  13  -5.712  -4.057   0.210
   99    H    ALA  14           H        ALA  14  -6.884  -1.675   6.385
  100    HA   ALA  14           HA       ALA  14  -6.758  -4.505   7.112
  101    HB1  ALA  14           1HB      ALA  14  -6.753  -4.229   9.332
  102    HB2  ALA  14           2HB      ALA  14  -6.136  -2.614   8.982
  103    HB3  ALA  14           3HB      ALA  14  -7.860  -2.858   9.261
  104    HA   PRO  15           HA       PRO  15 -11.013  -4.599   6.047
  105    HB3  PRO  15           2HB      PRO  15 -10.982  -6.849   6.508
  106    HG3  PRO  15           2HG      PRO  15  -9.765  -7.688   8.303
  107    HD3  PRO  15           2HD      PRO  15  -8.149  -6.384   7.304
  Start of MODEL    9
    1    H1   MET   1           H        MET   1   2.725  -1.024   1.685
    2    HA   MET   1           HA       MET   1   1.359  -1.081   3.594
    3    HB3  MET   1           2HB      MET   1   1.677  -3.362   2.819
    4    HG3  MET   1           2HG      MET   1   4.114  -3.341   4.572
    5    HE1  MET   1           3HE      MET   1   4.721  -6.002   6.028
    6    HE2  MET   1           1HE      MET   1   5.269  -6.832   4.570
    7    HE3  MET   1           2HE      MET   1   5.567  -5.104   4.768
    8    H    TRP   2           H        TRP   2   3.544   0.651   4.152
    9    HA   TRP   2           HA       TRP   2   3.652   0.313   7.041
   10    HB3  TRP   2           2HB      TRP   2   6.118   0.581   5.314
   11    HD1  TRP   2           HD       TRP   2   5.401   0.160   9.118
   12    HE1  TRP   2           1HE      TRP   2   7.087   1.624  10.398
   13    HE3  TRP   2           3HE      TRP   2   7.883   2.205   5.143
   14    HZ2  TRP   2           2HZ      TRP   2   9.190   3.410   9.802
   15    HZ3  TRP   2           3HZ      TRP   2   9.719   3.783   5.584
   16    HH2  TRP   2           HH       TRP   2  10.357   4.371   7.867
   17    H    GLN   3           H        GLN   3   2.929   2.162   7.846
   18    HA   GLN   3           HA       GLN   3   2.503   4.375   8.153
   19    HB3  GLN   3           2HB      GLN   3   4.399   5.914   7.155
   20    HG3  GLN   3           2HG      GLN   3   5.979   4.755   9.013
   21   HE21  GLN   3          1HE2      GLN   3   5.990   5.903  11.025
   22   HE22  GLN   3          2HE2      GLN   3   5.159   7.410  11.164
   23    H    ARG   4           H        ARG   4   1.659   2.965   5.644
   24    HA   ARG   4           HA       ARG   4   1.562   5.126   3.697
   25    HB3  ARG   4           2HB      ARG   4  -0.031   3.108   2.712
   26    HG3  ARG   4           2HG      ARG   4   2.910   2.869   2.331
   27    HD3  ARG   4           2HD      ARG   4   0.467   2.767   0.580
   28    HE   ARG   4           HE       ARG   4   3.099   3.407  -0.273
   29   HH11  ARG   4          1HH1      ARG   4   0.302   1.505  -1.096
   30   HH12  ARG   4          2HH1      ARG   4   0.645   1.497  -2.794
   31   HH21  ARG   4          1HH2      ARG   4   3.562   3.405  -2.507
   32   HH22  ARG   4          2HH2      ARG   4   2.500   2.578  -3.595
   33    H    ARG   5           H        ARG   5  -0.596   3.329   5.832
   34    HA   ARG   5           HA       ARG   5  -2.868   4.958   4.988
   35    HB3  ARG   5           2HB      ARG   5  -4.018   3.431   6.778
   36    HG3  ARG   5           2HG      ARG   5  -3.177   1.637   4.643
   37    HD3  ARG   5           2HD      ARG   5  -5.227   1.318   5.907
   38    HE   ARG   5           HE       ARG   5  -5.658   3.962   5.876
   39   HH11  ARG   5          1HH1      ARG   5  -7.461   1.302   4.537
   40   HH12  ARG   5          2HH1      ARG   5  -8.995   2.093   4.694
   41   HH21  ARG   5          1HH2      ARG   5  -7.671   5.012   6.090
   42   HH22  ARG   5          2HH2      ARG   5  -9.113   4.203   5.577
   43    H    GLN   6           H        GLN   6  -0.400   5.165   7.185
   44    HA   GLN   6           HA       GLN   6  -1.592   5.990   9.560
   45    HB3  GLN   6           2HB      GLN   6   0.690   7.598   9.219
   46    HG3  GLN   6           2HG      GLN   6   1.139   4.885  10.253
   47   HE21  GLN   6          1HE2      GLN   6   2.689   4.933  11.769
   48   HE22  GLN   6          2HE2      GLN   6   3.408   6.373  12.395
   49    H    ARG   7           H        ARG   7  -1.193   7.666   6.533
   50    HA   ARG   7           HA       ARG   7  -1.684  10.290   7.514
   51    HB3  ARG   7           2HB      ARG   7  -2.380  10.570   4.973
   52    HG3  ARG   7           2HG      ARG   7   0.273  10.312   6.222
   53    HD3  ARG   7           2HD      ARG   7   0.442  10.901   3.366
   54    HE   ARG   7           HE       ARG   7   2.137   8.899   4.559
   55   HH11  ARG   7          1HH1      ARG   7   1.566  12.305   4.114
   56   HH12  ARG   7          2HH1      ARG   7   3.214  12.752   4.403
   57   HH21  ARG   7          1HH2      ARG   7   4.311   9.476   4.940
   58   HH22  ARG   7          2HH2      ARG   7   4.775  11.142   4.872
   59    H    ARG   8           H        ARG   8  -3.697   7.597   6.858
   60    HA   ARG   8           HA       ARG   8  -6.104   9.245   6.660
   61    HB3  ARG   8           2HB      ARG   8  -7.134   6.827   6.505
   62    HG3  ARG   8           2HG      ARG   8  -6.014   8.585   4.530
   63    HD3  ARG   8           2HD      ARG   8  -6.243   5.756   3.580
   64    HE   ARG   8           HE       ARG   8  -5.895   6.921   1.654
   65   HH11  ARG   8          1HH1      ARG   8  -3.974   8.359   4.175
   66   HH12  ARG   8          2HH1      ARG   8  -3.197   9.492   3.116
   67   HH21  ARG   8          1HH2      ARG   8  -4.881   8.405   0.251
   68   HH22  ARG   8          2HH2      ARG   8  -3.715   9.517   0.885
   69    H    GLY   9           H        GLY   9  -4.517   6.945   8.799
   70    HA2  GLY   9           2HA      GLY   9  -4.907   7.471  11.214
   71    HA3  GLY   9           3HA      GLY   9  -6.618   7.482  10.809
   72    H    GLU  10           H        GLU  10  -4.800   5.134   9.145
   73    HA   GLU  10           HA       GLU  10  -5.722   3.064  11.030
   74    HB3  GLU  10           2HB      GLU  10  -6.210   1.616   9.215
   75    HG3  GLU  10           2HG      GLU  10  -7.952   2.637   8.119
   76    H    GLU  11           H        GLU  11  -3.075   4.444   9.407
   77    HA   GLU  11           HA       GLU  11  -0.837   4.020   9.570
   78    HB3  GLU  11           2HB      GLU  11  -1.348   1.474  11.068
   79    HG3  GLU  11           2HG      GLU  11   0.636   3.613  11.730
   80    H    ARG  12           H        ARG  12  -2.462   0.845   9.398
   81    HA   ARG  12           HA       ARG  12  -1.004   0.351   6.885
   82    HB3  ARG  12           2HB      ARG  12  -1.491  -2.159   7.833
   83    HG3  ARG  12           2HG      ARG  12   0.869  -0.383   7.912
   84    HD3  ARG  12           2HD      ARG  12   1.017  -1.420  10.102
   85    HE   ARG  12           HE       ARG  12  -0.242  -3.593   9.147
   86   HH11  ARG  12          1HH1      ARG  12   2.930  -3.131  10.506
   87   HH12  ARG  12          2HH1      ARG  12   3.021  -4.730  11.169
   88   HH21  ARG  12          1HH2      ARG  12  -0.133  -5.699  10.014
   89   HH22  ARG  12          2HH2      ARG  12   1.279  -6.190  10.887
   90    H    LYS  13           H        LYS  13  -2.063  -1.098   5.383
   91    HA   LYS  13           HA       LYS  13  -4.738  -0.454   4.915
   92    HB3  LYS  13           2HB      LYS  13  -3.333  -1.171   3.102
   93    HG3  LYS  13           2HG      LYS  13  -3.301  -3.959   4.216
   94    HD3  LYS  13           2HD      LYS  13  -1.250  -3.908   2.579
   95    HE3  LYS  13           2HE      LYS  13  -3.591  -5.089   2.429
   96    HZ1  LYS  13           3HZ      LYS  13  -5.118  -4.135   1.159
   97    HZ2  LYS  13           1HZ      LYS  13  -4.012  -3.842  -0.088
   98    HZ3  LYS  13           2HZ      LYS  13  -4.189  -2.721   1.165
   99    H    ALA  14           H        ALA  14  -6.476  -1.048   6.017
  100    HA   ALA  14           HA       ALA  14  -6.564  -3.769   7.146
  101    HB1  ALA  14           1HB      ALA  14  -8.305  -2.381   8.715
  102    HB2  ALA  14           2HB      ALA  14  -6.626  -2.728   9.131
  103    HB3  ALA  14           3HB      ALA  14  -7.054  -1.174   8.414
  104    HA   PRO  15           HA       PRO  15 -10.361  -4.473   5.064
  105    HB3  PRO  15           2HB      PRO  15 -10.428  -6.537   6.069
  106    HG3  PRO  15           2HG      PRO  15  -9.750  -6.820   8.275
  107    HD3  PRO  15           2HD      PRO  15  -7.937  -5.661   7.448
  Start of MODEL   10
    1    H1   MET   1           H        MET   1   4.554  -1.535   2.435
    2    HA   MET   1           HA       MET   1   2.477   0.260   2.938
    3    HB3  MET   1           2HB      MET   1   1.988  -2.044   2.467
    4    HG3  MET   1           2HG      MET   1   4.061  -2.650   4.234
    5    HE1  MET   1           3HE      MET   1   1.480  -5.736   5.174
    6    HE2  MET   1           1HE      MET   1   0.199  -4.582   5.546
    7    HE3  MET   1           2HE      MET   1   0.966  -4.568   3.957
    8    H    TRP   2           H        TRP   2   4.807   1.119   4.336
    9    HA   TRP   2           HA       TRP   2   3.962   0.851   7.144
   10    HB3  TRP   2           2HB      TRP   2   6.230   1.525   7.758
   11    HD1  TRP   2           HD       TRP   2   5.233  -1.208   8.170
   12    HE1  TRP   2           1HE      TRP   2   6.467  -3.346   7.441
   13    HE3  TRP   2           3HE      TRP   2   8.267   0.793   4.574
   14    HZ2  TRP   2           2HZ      TRP   2   8.463  -4.086   5.587
   15    HZ3  TRP   2           3HZ      TRP   2   9.810  -0.698   3.370
   16    HH2  TRP   2           HH       TRP   2   9.905  -3.087   3.868
   17    H    GLN   3           H        GLN   3   3.052   2.547   8.094
   18    HA   GLN   3           HA       GLN   3   2.271   4.651   8.471
   19    HB3  GLN   3           2HB      GLN   3   3.989   6.504   7.739
   20    HG3  GLN   3           2HG      GLN   3   3.611   5.314  10.070
   21   HE21  GLN   3          1HE2      GLN   3   5.016   4.540  11.797
   22   HE22  GLN   3          2HE2      GLN   3   6.212   3.348  11.429
   23    H    ARG   4           H        ARG   4   1.753   3.316   5.870
   24    HA   ARG   4           HA       ARG   4   1.552   5.538   4.001
   25    HB3  ARG   4           2HB      ARG   4   0.229   3.398   2.861
   26    HG3  ARG   4           2HG      ARG   4   3.187   3.500   2.597
   27    HD3  ARG   4           2HD      ARG   4   1.524   2.114   1.196
   28    HE   ARG   4           HE       ARG   4   0.498   4.637   0.565
   29   HH11  ARG   4          1HH1      ARG   4   1.559   1.730  -1.030
   30   HH12  ARG   4          2HH1      ARG   4   0.503   1.935  -2.389
   31   HH21  ARG   4          1HH2      ARG   4  -0.898   4.917  -1.218
   32   HH22  ARG   4          2HH2      ARG   4  -0.892   3.748  -2.495
   33    H    ARG   5           H        ARG   5  -0.463   3.640   6.126
   34    HA   ARG   5           HA       ARG   5  -2.887   4.906   5.091
   35    HB3  ARG   5           2HB      ARG   5  -4.120   3.283   6.279
   36    HG3  ARG   5           2HG      ARG   5  -3.207   1.137   5.702
   37    HD3  ARG   5           2HD      ARG   5  -2.681   1.473   3.362
   38    HE   ARG   5           HE       ARG   5  -4.860   2.969   4.512
   39   HH11  ARG   5          1HH1      ARG   5  -3.278   1.971   1.575
   40   HH12  ARG   5          2HH1      ARG   5  -4.692   2.167   0.592
   41   HH21  ARG   5          1HH2      ARG   5  -6.727   3.232   3.229
   42   HH22  ARG   5          2HH2      ARG   5  -6.653   2.885   1.534
   43    H    GLN   6           H        GLN   6  -0.545   5.522   7.361
   44    HA   GLN   6           HA       GLN   6  -1.912   6.350   9.633
   45    HB3  GLN   6           2HB      GLN   6   0.251   8.162   9.038
   46    HG3  GLN   6           2HG      GLN   6   0.642   5.835  10.825
   47   HE21  GLN   6          1HE2      GLN   6   0.279   8.027  12.936
   48   HE22  GLN   6          2HE2      GLN   6   1.782   8.879  12.891
   49    H    ARG   7           H        ARG   7  -1.543   7.908   6.528
   50    HA   ARG   7           HA       ARG   7  -2.420  10.489   7.343
   51    HB3  ARG   7           2HB      ARG   7  -2.946  10.606   4.764
   52    HG3  ARG   7           2HG      ARG   7  -0.390  10.679   6.199
   53    HD3  ARG   7           2HD      ARG   7   0.106  11.124   3.396
   54    HE   ARG   7           HE       ARG   7   1.578   9.082   4.800
   55   HH11  ARG   7          1HH1      ARG   7   1.152  12.500   4.294
   56   HH12  ARG   7          2HH1      ARG   7   2.758  12.908   4.803
   57   HH21  ARG   7          1HH2      ARG   7   3.695   9.606   5.472
   58   HH22  ARG   7          2HH2      ARG   7   4.203  11.260   5.471
   59    H    ARG   8           H        ARG   8  -4.030   7.536   6.631
   60    HA   ARG   8           HA       ARG   8  -6.604   8.866   6.238
   61    HB3  ARG   8           2HB      ARG   8  -7.242   6.265   6.135
   62    HG3  ARG   8           2HG      ARG   8  -6.529   8.231   4.166
   63    HD3  ARG   8           2HD      ARG   8  -6.321   5.492   3.043
   64    HE   ARG   8           HE       ARG   8  -6.022   6.933   1.294
   65   HH11  ARG   8          1HH1      ARG   8  -4.160   8.054   4.014
   66   HH12  ARG   8          2HH1      ARG   8  -3.364   9.306   3.118
   67   HH21  ARG   8          1HH2      ARG   8  -4.980   8.577   0.105
   68   HH22  ARG   8          2HH2      ARG   8  -3.832   9.603   0.895
   69    H    GLY   9           H        GLY   9  -4.868   6.874   8.547
   70    HA2  GLY   9           2HA      GLY   9  -5.500   7.361  10.909
   71    HA3  GLY   9           3HA      GLY   9  -7.165   7.138  10.391
   72    H    GLU  10           H        GLU  10  -4.893   5.035   8.944
   73    HA   GLU  10           HA       GLU  10  -5.708   2.883  10.786
   74    HB3  GLU  10           2HB      GLU  10  -5.783   1.354   8.963
   75    HG3  GLU  10           2HG      GLU  10  -7.326   2.390   7.320
   76    H    GLU  11           H        GLU  11  -3.122   4.552   9.300
   77    HA   GLU  11           HA       GLU  11  -0.869   4.448   9.674
   78    HB3  GLU  11           2HB      GLU  11  -1.133   1.950  11.295
   79    HG3  GLU  11           2HG      GLU  11   0.332   4.362  12.194
   80    H    ARG  12           H        ARG  12  -2.049   1.079   9.601
   81    HA   ARG  12           HA       ARG  12  -0.390   0.651   7.207
   82    HB3  ARG  12           2HB      ARG  12   0.836  -0.438   8.897
   83    HG3  ARG  12           2HG      ARG  12  -0.796  -2.341  10.090
   84    HD3  ARG  12           2HD      ARG  12  -0.001   0.285  11.322
   85    HE   ARG  12           HE       ARG  12  -0.709  -0.877  13.149
   86   HH11  ARG  12          1HH1      ARG  12   0.892  -3.084  10.985
   87   HH12  ARG  12          2HH1      ARG  12   0.797  -4.428  12.075
   88   HH21  ARG  12          1HH2      ARG  12  -0.840  -2.638  14.593
   89   HH22  ARG  12          2HH2      ARG  12  -0.190  -4.173  14.126
   90    H    LYS  13           H        LYS  13  -1.128  -1.022   5.780
   91    HA   LYS  13           HA       LYS  13  -3.886  -0.976   5.300
   92    HB3  LYS  13           2HB      LYS  13  -3.299  -3.009   3.793
   93    HG3  LYS  13           2HG      LYS  13  -1.546  -0.706   3.117
   94    HD3  LYS  13           2HD      LYS  13  -2.302  -2.795   1.673
   95    HE3  LYS  13           2HE      LYS  13  -4.594  -0.867   1.536
   96    HZ1  LYS  13           3HZ      LYS  13  -5.176  -2.392  -0.478
   97    HZ2  LYS  13           1HZ      LYS  13  -3.496  -2.522  -0.622
   98    HZ3  LYS  13           2HZ      LYS  13  -4.237  -1.004  -0.701
   99    H    ALA  14           H        ALA  14  -5.441  -1.899   6.448
  100    HA   ALA  14           HA       ALA  14  -5.123  -4.668   7.320
  101    HB1  ALA  14           1HB      ALA  14  -4.575  -3.857   9.371
  102    HB2  ALA  14           2HB      ALA  14  -5.429  -2.334   9.121
  103    HB3  ALA  14           3HB      ALA  14  -6.331  -3.796   9.519
  104    HA   PRO  15           HA       PRO  15  -9.322  -5.126   6.128
  105    HB3  PRO  15           2HB      PRO  15  -9.139  -7.347   6.686
  106    HG3  PRO  15           2HG      PRO  15  -7.925  -8.019   8.552
  107    HD3  PRO  15           2HD      PRO  15  -6.377  -6.637   7.548
  Start of MODEL   11
    1    H1   MET   1           H        MET   1   5.019  -1.260   3.404
    2    HA   MET   1           HA       MET   1   2.290  -0.260   2.913
    3    HB3  MET   1           2HB      MET   1   2.456  -2.564   2.160
    4    HG3  MET   1           2HG      MET   1   3.343  -3.219   4.961
    5    HE1  MET   1           3HE      MET   1   4.191  -6.534   2.442
    6    HE2  MET   1           1HE      MET   1   3.064  -5.711   1.364
    7    HE3  MET   1           2HE      MET   1   4.448  -4.840   2.023
    8    H    TRP   2           H        TRP   2   4.139   0.899   4.721
    9    HA   TRP   2           HA       TRP   2   2.693   0.439   7.231
   10    HB3  TRP   2           2HB      TRP   2   4.742  -0.791   7.524
   11    HD1  TRP   2           HD       TRP   2   6.455   2.664   7.491
   12    HE1  TRP   2           1HE      TRP   2   8.576   2.498   6.042
   13    HE3  TRP   2           3HE      TRP   2   5.859  -2.097   5.728
   14    HZ2  TRP   2           2HZ      TRP   2   9.829   0.598   4.371
   15    HZ3  TRP   2           3HZ      TRP   2   7.564  -3.014   4.208
   16    HH2  TRP   2           HH       TRP   2   9.507  -1.693   3.545
   17    H    GLN   3           H        GLN   3   2.226   2.259   8.365
   18    HA   GLN   3           HA       GLN   3   1.900   4.470   8.785
   19    HB3  GLN   3           2HB      GLN   3   4.022   5.922   8.155
   20    HG3  GLN   3           2HG      GLN   3   3.863   3.859  10.321
   21   HE21  GLN   3          1HE2      GLN   3   5.530   6.951   9.890
   22   HE22  GLN   3          2HE2      GLN   3   7.062   6.404  10.470
   23    H    ARG   4           H        ARG   4   1.334   3.304   6.078
   24    HA   ARG   4           HA       ARG   4   1.651   5.597   4.314
   25    HB3  ARG   4           2HB      ARG   4   0.075   3.765   2.979
   26    HG3  ARG   4           2HG      ARG   4   3.016   3.351   2.927
   27    HD3  ARG   4           2HD      ARG   4   1.003   3.846   0.740
   28    HE   ARG   4           HE       ARG   4   3.426   2.393   0.182
   29   HH11  ARG   4          1HH1      ARG   4   1.909   5.524   0.293
   30   HH12  ARG   4          2HH1      ARG   4   3.008   6.241  -0.837
   31   HH21  ARG   4          1HH2      ARG   4   4.879   3.325  -1.308
   32   HH22  ARG   4          2HH2      ARG   4   4.697   4.989  -1.749
   33    H    ARG   5           H        ARG   5  -0.880   3.861   6.037
   34    HA   ARG   5           HA       ARG   5  -2.925   5.654   4.984
   35    HB3  ARG   5           2HB      ARG   5  -4.509   4.212   6.197
   36    HG3  ARG   5           2HG      ARG   5  -3.663   1.930   5.155
   37    HD3  ARG   5           2HD      ARG   5  -4.466   2.784   2.917
   38    HE   ARG   5           HE       ARG   5  -6.460   3.645   4.826
   39   HH11  ARG   5          1HH1      ARG   5  -4.899   0.956   3.257
   40   HH12  ARG   5          2HH1      ARG   5  -6.207  -0.141   3.548
   41   HH21  ARG   5          1HH2      ARG   5  -8.189   2.208   5.215
   42   HH22  ARG   5          2HH2      ARG   5  -8.078   0.572   4.661
   43    H    GLN   6           H        GLN   6  -0.739   5.657   7.474
   44    HA   GLN   6           HA       GLN   6  -2.152   6.504   9.710
   45    HB3  GLN   6           2HB      GLN   6   0.247   7.994   9.638
   46    HG3  GLN   6           2HG      GLN   6   0.448   5.298  10.754
   47   HE21  GLN   6          1HE2      GLN   6   1.899   5.354  12.330
   48   HE22  GLN   6          2HE2      GLN   6   2.493   6.782  13.099
   49    H    ARG   7           H        ARG   7  -1.232   8.256   6.826
   50    HA   ARG   7           HA       ARG   7  -1.758  10.862   7.826
   51    HB3  ARG   7           2HB      ARG   7  -2.043  11.284   5.237
   52    HG3  ARG   7           2HG      ARG   7   0.370  10.794   6.839
   53    HD3  ARG   7           2HD      ARG   7   1.067  11.423   4.089
   54    HE   ARG   7           HE       ARG   7   2.282   9.176   5.424
   55   HH11  ARG   7          1HH1      ARG   7   2.200  12.642   5.101
   56   HH12  ARG   7          2HH1      ARG   7   3.814  12.866   5.689
   57   HH21  ARG   7          1HH2      ARG   7   4.409   9.458   6.199
   58   HH22  ARG   7          2HH2      ARG   7   5.070  11.054   6.313
   59    H    ARG   8           H        ARG   8  -3.764   8.301   6.715
   60    HA   ARG   8           HA       ARG   8  -6.043  10.081   6.286
   61    HB3  ARG   8           2HB      ARG   8  -7.104   7.673   5.853
   62    HG3  ARG   8           2HG      ARG   8  -5.756   9.581   4.145
   63    HD3  ARG   8           2HD      ARG   8  -6.096   6.850   2.961
   64    HE   ARG   8           HE       ARG   8  -5.528   9.275   1.805
   65   HH11  ARG   8          1HH1      ARG   8  -3.971   6.168   2.021
   66   HH12  ARG   8          2HH1      ARG   8  -3.173   6.316   0.490
   67   HH21  ARG   8          1HH2      ARG   8  -4.483   9.481  -0.212
   68   HH22  ARG   8          2HH2      ARG   8  -3.464   8.201  -0.779
   69    H    GLY   9           H        GLY   9  -4.853   7.628   8.493
   70    HA2  GLY   9           2HA      GLY   9  -5.594   8.001  10.843
   71    HA3  GLY   9           3HA      GLY   9  -7.224   8.108  10.193
   72    H    GLU  10           H        GLU  10  -5.188   5.790   8.714
   73    HA   GLU  10           HA       GLU  10  -6.503   3.651  10.258
   74    HB3  GLU  10           2HB      GLU  10  -5.929   2.402   7.946
   75    HG3  GLU  10           2HG      GLU  10  -8.328   3.781   7.372
   76    H    GLU  11           H        GLU  11  -3.558   4.974   9.109
   77    HA   GLU  11           HA       GLU  11  -1.392   4.463   9.625
   78    HB3  GLU  11           2HB      GLU  11  -2.230   1.955  11.034
   79    HG3  GLU  11           2HG      GLU  11  -0.403   3.926  12.247
   80    H    ARG  12           H        ARG  12  -3.082   1.343   9.229
   81    HA   ARG  12           HA       ARG  12  -1.598   0.871   6.763
   82    HB3  ARG  12           2HB      ARG  12  -0.189  -0.087   8.535
   83    HG3  ARG  12           2HG      ARG  12  -2.211  -2.198   9.082
   84    HD3  ARG  12           2HD      ARG  12  -0.983  -2.353  11.184
   85    HE   ARG  12           HE       ARG  12   0.308  -2.811   8.695
   86   HH11  ARG  12          1HH1      ARG  12   0.857  -2.738  12.133
   87   HH12  ARG  12          2HH1      ARG  12   2.171  -3.866  12.078
   88   HH21  ARG  12          1HH2      ARG  12   2.036  -4.298   8.611
   89   HH22  ARG  12          2HH2      ARG  12   2.842  -4.752  10.075
   90    H    LYS  13           H        LYS  13  -2.484  -0.837   5.466
   91    HA   LYS  13           HA       LYS  13  -5.288  -0.888   5.420
   92    HB3  LYS  13           2HB      LYS  13  -4.031  -1.241   3.395
   93    HG3  LYS  13           2HG      LYS  13  -3.186  -3.970   4.261
   94    HD3  LYS  13           2HD      LYS  13  -1.364  -3.396   2.580
   95    HE3  LYS  13           2HE      LYS  13  -2.777  -3.865   0.648
   96    HZ1  LYS  13           3HZ      LYS  13  -2.379  -5.576   2.496
   97    HZ2  LYS  13           1HZ      LYS  13  -3.575  -5.904   1.345
   98    HZ3  LYS  13           2HZ      LYS  13  -4.010  -5.344   2.880
   99    H    ALA  14           H        ALA  14  -6.614  -1.898   6.765
  100    HA   ALA  14           HA       ALA  14  -6.043  -4.653   7.543
  101    HB1  ALA  14           1HB      ALA  14  -7.085  -3.460   9.865
  102    HB2  ALA  14           2HB      ALA  14  -5.477  -4.144   9.626
  103    HB3  ALA  14           3HB      ALA  14  -5.761  -2.430   9.323
  104    HA   PRO  15           HA       PRO  15 -10.351  -5.290   7.006
  105    HB3  PRO  15           2HB      PRO  15  -9.989  -7.505   7.498
  106    HG3  PRO  15           2HG      PRO  15  -8.473  -8.135   9.146
  107    HD3  PRO  15           2HD      PRO  15  -7.160  -6.678   7.935
  Start of MODEL   12
    1    H1   MET   1           H        MET   1   6.301  -0.762   2.955
    2    HA   MET   1           HA       MET   1   3.794   0.465   2.029
    3    HB3  MET   1           2HB      MET   1   3.608  -1.728   1.193
    4    HG3  MET   1           2HG      MET   1   4.807  -2.628   3.787
    5    HE1  MET   1           3HE      MET   1   4.534  -6.360   1.807
    6    HE2  MET   1           1HE      MET   1   4.101  -5.189   0.560
    7    HE3  MET   1           2HE      MET   1   5.556  -4.950   1.528
    8    H    TRP   2           H        TRP   2   5.684   1.048   4.247
    9    HA   TRP   2           HA       TRP   2   3.953   0.494   6.558
   10    HB3  TRP   2           2HB      TRP   2   6.767   1.582   6.652
   11    HD1  TRP   2           HD       TRP   2   4.017  -0.273   8.650
   12    HE1  TRP   2           1HE      TRP   2   4.432   0.149  11.155
   13    HE3  TRP   2           3HE      TRP   2   8.399   2.339   8.316
   14    HZ2  TRP   2           2HZ      TRP   2   6.362   1.423  12.774
   15    HZ3  TRP   2           3HZ      TRP   2   9.464   3.124  10.390
   16    HH2  TRP   2           HH       TRP   2   8.466   2.675  12.571
   17    H    GLN   3           H        GLN   3   3.200   2.146   7.861
   18    HA   GLN   3           HA       GLN   3   2.384   4.212   8.350
   19    HB3  GLN   3           2HB      GLN   3   3.937   6.140   7.983
   20    HG3  GLN   3           2HG      GLN   3   5.613   3.926   9.059
   21   HE21  GLN   3          1HE2      GLN   3   6.499   6.350   8.140
   22   HE22  GLN   3          2HE2      GLN   3   6.934   7.353   9.476
   23    H    ARG   4           H        ARG   4   1.563   3.028   5.898
   24    HA   ARG   4           HA       ARG   4   1.465   5.195   3.959
   25    HB3  ARG   4           2HB      ARG   4  -0.186   3.197   3.011
   26    HG3  ARG   4           2HG      ARG   4   2.755   2.987   2.556
   27    HD3  ARG   4           2HD      ARG   4   0.821   1.657   1.394
   28    HE   ARG   4           HE       ARG   4  -0.545   3.031   0.198
   29   HH11  ARG   4          1HH1      ARG   4   2.706   4.260  -0.001
   30   HH12  ARG   4          2HH1      ARG   4   2.300   5.520  -1.118
   31   HH21  ARG   4          1HH2      ARG   4  -1.093   4.688  -1.272
   32   HH22  ARG   4          2HH2      ARG   4   0.139   5.764  -1.840
   33    H    ARG   5           H        ARG   5  -0.688   3.424   6.122
   34    HA   ARG   5           HA       ARG   5  -2.960   5.060   5.313
   35    HB3  ARG   5           2HB      ARG   5  -3.852   3.525   7.396
   36    HG3  ARG   5           2HG      ARG   5  -3.967   3.354   4.497
   37    HD3  ARG   5           2HD      ARG   5  -4.776   1.076   4.382
   38    HE   ARG   5           HE       ARG   5  -2.224   0.568   5.628
   39   HH11  ARG   5          1HH1      ARG   5  -3.881   1.771   2.813
   40   HH12  ARG   5          2HH1      ARG   5  -2.537   1.513   1.751
   41   HH21  ARG   5          1HH2      ARG   5  -0.447   0.223   4.241
   42   HH22  ARG   5          2HH2      ARG   5  -0.585   0.632   2.563
   43    H    GLN   6           H        GLN   6  -0.431   5.334   7.427
   44    HA   GLN   6           HA       GLN   6  -1.549   6.237   9.809
   45    HB3  GLN   6           2HB      GLN   6   0.658   7.786   9.646
   46    HG3  GLN   6           2HG      GLN   6   1.454   5.003   9.930
   47   HE21  GLN   6          1HE2      GLN   6   2.920   4.827  11.543
   48   HE22  GLN   6          2HE2      GLN   6   3.412   6.141  12.551
   49    H    ARG   7           H        ARG   7  -1.398   7.743   6.705
   50    HA   ARG   7           HA       ARG   7  -1.844  10.419   7.648
   51    HB3  ARG   7           2HB      ARG   7  -2.500  10.670   5.105
   52    HG3  ARG   7           2HG      ARG   7   0.128  10.437   6.392
   53    HD3  ARG   7           2HD      ARG   7   0.450  10.926   3.555
   54    HE   ARG   7           HE       ARG   7   1.915   8.798   4.832
   55   HH11  ARG   7          1HH1      ARG   7   1.639  12.237   4.368
   56   HH12  ARG   7          2HH1      ARG   7   3.300  12.553   4.747
   57   HH21  ARG   7          1HH2      ARG   7   4.103   9.201   5.334
   58   HH22  ARG   7          2HH2      ARG   7   4.701  10.825   5.295
   59    H    ARG   8           H        ARG   8  -3.799   7.680   6.981
   60    HA   ARG   8           HA       ARG   8  -6.232   9.282   6.750
   61    HB3  ARG   8           2HB      ARG   8  -7.163   6.779   6.640
   62    HG3  ARG   8           2HG      ARG   8  -6.200   8.633   4.625
   63    HD3  ARG   8           2HD      ARG   8  -6.544   5.776   3.761
   64    HE   ARG   8           HE       ARG   8  -6.408   8.129   2.298
   65   HH11  ARG   8          1HH1      ARG   8  -4.788   5.050   2.414
   66   HH12  ARG   8          2HH1      ARG   8  -4.399   5.044   0.725
   67   HH21  ARG   8          1HH2      ARG   8  -5.902   8.133   0.073
   68   HH22  ARG   8          2HH2      ARG   8  -5.034   6.798  -0.605
   69    H    GLY   9           H        GLY   9  -4.649   6.988   8.903
   70    HA2  GLY   9           2HA      GLY   9  -5.063   7.499  11.314
   71    HA3  GLY   9           3HA      GLY   9  -6.769   7.515  10.894
   72    H    GLU  10           H        GLU  10  -4.924   5.172   9.245
   73    HA   GLU  10           HA       GLU  10  -5.890   3.094  11.099
   74    HB3  GLU  10           2HB      GLU  10  -5.748   1.667   8.893
   75    HG3  GLU  10           2HG      GLU  10  -7.978   3.649   9.284
   76    H    GLU  11           H        GLU  11  -3.233   4.354   9.282
   77    HA   GLU  11           HA       GLU  11  -0.994   3.934   9.431
   78    HB3  GLU  11           2HB      GLU  11  -1.507   1.649  11.310
   79    HG3  GLU  11           2HG      GLU  11   0.779   3.235  10.552
   80    H    ARG  12           H        ARG  12  -2.615   0.772   9.784
   81    HA   ARG  12           HA       ARG  12  -1.217  -0.100   7.340
   82    HB3  ARG  12           2HB      ARG  12  -1.290  -2.403   8.315
   83    HG3  ARG  12           2HG      ARG  12   0.477  -2.118   9.982
   84    HD3  ARG  12           2HD      ARG  12   2.098  -1.025   8.585
   85    HE   ARG  12           HE       ARG  12   0.486  -2.058   6.446
   86   HH11  ARG  12          1HH1      ARG  12   2.367  -2.887   9.257
   87   HH12  ARG  12          2HH1      ARG  12   2.702  -4.499   8.718
   88   HH21  ARG  12          1HH2      ARG  12   0.920  -4.179   5.726
   89   HH22  ARG  12          2HH2      ARG  12   1.879  -5.232   6.710
   90    H    LYS  13           H        LYS  13  -2.325  -1.712   6.057
   91    HA   LYS  13           HA       LYS  13  -4.984  -1.065   5.508
   92    HB3  LYS  13           2HB      LYS  13  -3.799  -3.740   4.817
   93    HG3  LYS  13           2HG      LYS  13  -5.696  -1.851   3.475
   94    HD3  LYS  13           2HD      LYS  13  -4.088  -4.072   2.222
   95    HE3  LYS  13           2HE      LYS  13  -6.382  -2.559   0.987
   96    HZ1  LYS  13           3HZ      LYS  13  -4.390  -3.846  -0.240
   97    HZ2  LYS  13           1HZ      LYS  13  -5.950  -3.701  -0.880
   98    HZ3  LYS  13           2HZ      LYS  13  -5.499  -5.111  -0.061
   99    H    ALA  14           H        ALA  14  -6.705  -1.418   6.734
  100    HA   ALA  14           HA       ALA  14  -7.119  -4.069   7.883
  101    HB1  ALA  14           1HB      ALA  14  -6.238  -1.934   9.462
  102    HB2  ALA  14           2HB      ALA  14  -7.959  -2.106   9.808
  103    HB3  ALA  14           3HB      ALA  14  -6.877  -3.483  10.011
  104    HA   PRO  15           HA       PRO  15 -11.320  -3.492   6.758
  105    HB3  PRO  15           2HB      PRO  15 -11.743  -5.589   7.598
  106    HG3  PRO  15           2HG      PRO  15 -10.711  -6.333   9.543
  107    HD3  PRO  15           2HD      PRO  15  -8.870  -5.572   8.384
  Start of MODEL   13
    1    H1   MET   1           H        MET   1   5.810  -0.861   4.407
    2    HA   MET   1           HA       MET   1   2.992  -0.617   3.683
    3    HB3  MET   1           2HB      MET   1   2.430  -2.812   4.558
    4    HG3  MET   1           2HG      MET   1   4.687  -3.049   2.583
    5    HE1  MET   1           3HE      MET   1   4.385  -5.203   0.716
    6    HE2  MET   1           1HE      MET   1   5.585  -5.141   2.006
    7    HE3  MET   1           2HE      MET   1   4.683  -6.628   1.712
    8    H    TRP   2           H        TRP   2   4.903   0.826   5.416
    9    HA   TRP   2           HA       TRP   2   3.392   0.581   7.929
   10    HB3  TRP   2           2HB      TRP   2   5.606  -0.386   8.281
   11    HD1  TRP   2           HD       TRP   2   6.836   3.255   8.255
   12    HE1  TRP   2           1HE      TRP   2   8.983   3.377   6.841
   13    HE3  TRP   2           3HE      TRP   2   6.884  -1.523   6.437
   14    HZ2  TRP   2           2HZ      TRP   2  10.496   1.674   5.175
   15    HZ3  TRP   2           3HZ      TRP   2   8.715  -2.196   4.938
   16    HH2  TRP   2           HH       TRP   2  10.483  -0.629   4.321
   17    H    GLN   3           H        GLN   3   2.719   2.461   8.840
   18    HA   GLN   3           HA       GLN   3   2.150   4.658   8.989
   19    HB3  GLN   3           2HB      GLN   3   3.966   6.313   8.575
   20    HG3  GLN   3           2HG      GLN   3   5.040   3.927  10.054
   21   HE21  GLN   3          1HE2      GLN   3   5.567   5.266  12.361
   22   HE22  GLN   3          2HE2      GLN   3   6.792   6.454  12.090
   23    H    ARG   4           H        ARG   4   1.715   3.143   6.458
   24    HA   ARG   4           HA       ARG   4   1.855   5.212   4.417
   25    HB3  ARG   4           2HB      ARG   4   0.455   3.122   3.307
   26    HG3  ARG   4           2HG      ARG   4   3.409   2.858   3.356
   27    HD3  ARG   4           2HD      ARG   4   1.661   1.663   1.837
   28    HE   ARG   4           HE       ARG   4   1.054   4.188   1.015
   29   HH11  ARG   4          1HH1      ARG   4   2.396   1.367  -0.520
   30   HH12  ARG   4          2HH1      ARG   4   1.743   1.744  -2.080
   31   HH21  ARG   4          1HH2      ARG   4   0.188   4.697  -1.034
   32   HH22  ARG   4          2HH2      ARG   4   0.489   3.639  -2.371
   33    H    ARG   5           H        ARG   5  -0.545   3.487   6.335
   34    HA   ARG   5           HA       ARG   5  -2.706   5.011   5.092
   35    HB3  ARG   5           2HB      ARG   5  -4.003   3.526   6.891
   36    HG3  ARG   5           2HG      ARG   5  -2.981   1.906   4.635
   37    HD3  ARG   5           2HD      ARG   5  -4.983   1.449   6.219
   38    HE   ARG   5           HE       ARG   5  -5.969   3.792   5.350
   39   HH11  ARG   5          1HH1      ARG   5  -6.959   0.496   4.827
   40   HH12  ARG   5          2HH1      ARG   5  -8.637   0.889   4.658
   41   HH21  ARG   5          1HH2      ARG   5  -8.176   4.323   5.129
   42   HH22  ARG   5          2HH2      ARG   5  -9.329   3.067   4.828
   43    H    GLN   6           H        GLN   6  -0.582   5.351   7.623
   44    HA   GLN   6           HA       GLN   6  -2.113   6.276   9.750
   45    HB3  GLN   6           2HB      GLN   6   0.202   7.897   9.616
   46    HG3  GLN   6           2HG      GLN   6   0.236   5.242  10.964
   47   HE21  GLN   6          1HE2      GLN   6   1.648   5.197  12.620
   48   HE22  GLN   6          2HE2      GLN   6   2.640   6.530  13.094
   49    H    ARG   7           H        ARG   7  -1.172   7.871   6.777
   50    HA   ARG   7           HA       ARG   7  -1.898  10.502   7.555
   51    HB3  ARG   7           2HB      ARG   7  -2.099  10.720   4.935
   52    HG3  ARG   7           2HG      ARG   7   0.287  10.460   6.642
   53    HD3  ARG   7           2HD      ARG   7   0.997  11.016   3.873
   54    HE   ARG   7           HE       ARG   7   2.213   9.694   6.127
   55   HH11  ARG   7          1HH1      ARG   7   2.401  10.331   2.710
   56   HH12  ARG   7          2HH1      ARG   7   4.108  10.048   2.618
   57   HH21  ARG   7          1HH2      ARG   7   4.461   9.320   6.020
   58   HH22  ARG   7          2HH2      ARG   7   5.278   9.472   4.501
   59    H    ARG   8           H        ARG   8  -3.710   7.746   6.630
   60    HA   ARG   8           HA       ARG   8  -6.063   9.330   5.925
   61    HB3  ARG   8           2HB      ARG   8  -6.945   6.796   5.772
   62    HG3  ARG   8           2HG      ARG   8  -5.834   8.659   3.882
   63    HD3  ARG   8           2HD      ARG   8  -5.822   5.899   2.794
   64    HE   ARG   8           HE       ARG   8  -3.856   7.835   1.973
   65   HH11  ARG   8          1HH1      ARG   8  -7.117   6.691   1.550
   66   HH12  ARG   8          2HH1      ARG   8  -7.275   7.337  -0.049
   67   HH21  ARG   8          1HH2      ARG   8  -4.052   8.691  -0.133
   68   HH22  ARG   8          2HH2      ARG   8  -5.531   8.474  -1.006
   69    H    GLY   9           H        GLY   9  -4.847   7.190   8.431
   70    HA2  GLY   9           2HA      GLY   9  -5.689   7.771  10.701
   71    HA3  GLY   9           3HA      GLY   9  -7.296   7.748   9.990
   72    H    GLU  10           H        GLU  10  -5.188   5.362   8.780
   73    HA   GLU  10           HA       GLU  10  -6.420   3.352  10.548
   74    HB3  GLU  10           2HB      GLU  10  -5.912   1.861   8.407
   75    HG3  GLU  10           2HG      GLU  10  -8.263   3.434   7.777
   76    H    GLU  11           H        GLU  11  -3.554   4.754   9.488
   77    HA   GLU  11           HA       GLU  11  -1.382   4.350  10.071
   78    HB3  GLU  11           2HB      GLU  11  -2.110   1.742  11.350
   79    HG3  GLU  11           2HG      GLU  11  -0.396   3.890  12.519
   80    H    ARG  12           H        ARG  12  -2.883   1.165   9.476
   81    HA   ARG  12           HA       ARG  12  -1.161   0.856   7.127
   82    HB3  ARG  12           2HB      ARG  12  -0.587  -1.438   7.773
   83    HG3  ARG  12           2HG      ARG  12   0.132   0.722   9.714
   84    HD3  ARG  12           2HD      ARG  12   0.199  -1.984  10.359
   85    HE   ARG  12           HE       ARG  12   2.690  -1.301   9.088
   86   HH11  ARG  12          1HH1      ARG  12   1.145  -3.231  11.540
   87   HH12  ARG  12          2HH1      ARG  12   2.389  -4.435  11.562
   88   HH21  ARG  12          1HH2      ARG  12   4.336  -2.881   9.107
   89   HH22  ARG  12          2HH2      ARG  12   4.205  -4.235  10.179
   90    H    LYS  13           H        LYS  13  -1.914  -0.721   5.602
   91    HA   LYS  13           HA       LYS  13  -4.680  -0.663   5.174
   92    HB3  LYS  13           2HB      LYS  13  -2.697  -2.631   4.017
   93    HG3  LYS  13           2HG      LYS  13  -5.189  -2.988   3.587
   94    HD3  LYS  13           2HD      LYS  13  -5.564  -0.486   3.232
   95    HE3  LYS  13           2HE      LYS  13  -3.586  -0.431   1.561
   96    HZ1  LYS  13           3HZ      LYS  13  -5.476  -1.987   0.119
   97    HZ2  LYS  13           1HZ      LYS  13  -3.873  -1.616  -0.275
   98    HZ3  LYS  13           2HZ      LYS  13  -5.119  -0.562  -0.720
   99    H    ALA  14           H        ALA  14  -6.204  -1.668   6.294
  100    HA   ALA  14           HA       ALA  14  -5.869  -4.493   6.949
  101    HB1  ALA  14           1HB      ALA  14  -7.127  -3.247   9.190
  102    HB2  ALA  14           2HB      ALA  14  -5.654  -4.216   9.140
  103    HB3  ALA  14           3HB      ALA  14  -5.571  -2.472   8.891
  104    HA   PRO  15           HA       PRO  15 -10.106  -4.846   5.867
  105    HB3  PRO  15           2HB      PRO  15  -9.918  -7.103   6.247
  106    HG3  PRO  15           2HG      PRO  15  -8.647  -7.920   8.015
  107    HD3  PRO  15           2HD      PRO  15  -7.126  -6.471   7.070
  Start of MODEL   14
    1    H1   MET   1           H        MET   1   5.957   0.349   3.202
    2    HA   MET   1           HA       MET   1   3.205  -0.204   2.310
    3    HB3  MET   1           2HB      MET   1   5.049  -2.096   3.773
    4    HG3  MET   1           2HG      MET   1   2.812  -2.970   2.031
    5    HE1  MET   1           3HE      MET   1   3.181  -6.429   2.507
    6    HE2  MET   1           1HE      MET   1   1.728  -5.758   3.248
    7    HE3  MET   1           2HE      MET   1   2.389  -5.028   1.784
    8    H    TRP   2           H        TRP   2   5.246   0.600   4.990
    9    HA   TRP   2           HA       TRP   2   3.013   0.290   6.868
   10    HB3  TRP   2           2HB      TRP   2   5.006  -0.746   7.676
   11    HD1  TRP   2           HD       TRP   2   6.233   2.935   7.338
   12    HE1  TRP   2           1HE      TRP   2   8.714   2.871   6.657
   13    HE3  TRP   2           3HE      TRP   2   6.875  -2.131   7.082
   14    HZ2  TRP   2           2HZ      TRP   2  10.683   0.931   6.086
   15    HZ3  TRP   2           3HZ      TRP   2   9.088  -3.008   6.461
   16    HH2  TRP   2           HH       TRP   2  10.952  -1.508   5.972
   17    H    GLN   3           H        GLN   3   2.422   2.011   8.270
   18    HA   GLN   3           HA       GLN   3   1.816   4.158   8.715
   19    HB3  GLN   3           2HB      GLN   3   3.728   5.881   8.186
   20    HG3  GLN   3           2HG      GLN   3   3.116   4.643  10.424
   21   HE21  GLN   3          1HE2      GLN   3   3.232   2.417  10.538
   22   HE22  GLN   3          2HE2      GLN   3   4.716   1.574  10.803
   23    H    ARG   4           H        ARG   4   1.305   3.006   6.045
   24    HA   ARG   4           HA       ARG   4   1.457   5.285   4.250
   25    HB3  ARG   4           2HB      ARG   4  -0.086   3.370   2.992
   26    HG3  ARG   4           2HG      ARG   4   2.888   3.147   2.884
   27    HD3  ARG   4           2HD      ARG   4   0.684   3.156   0.825
   28    HE   ARG   4           HE       ARG   4   3.282   2.327  -0.036
   29   HH11  ARG   4          1HH1      ARG   4   1.197   5.080   0.407
   30   HH12  ARG   4          2HH1      ARG   4   1.988   6.037  -0.801
   31   HH21  ARG   4          1HH2      ARG   4   4.331   3.578  -1.629
   32   HH22  ARG   4          2HH2      ARG   4   3.769   5.182  -1.960
   33    H    ARG   5           H        ARG   5  -0.876   3.627   6.243
   34    HA   ARG   5           HA       ARG   5  -3.066   5.230   5.152
   35    HB3  ARG   5           2HB      ARG   5  -4.555   3.760   6.252
   36    HG3  ARG   5           2HG      ARG   5  -2.575   1.639   5.850
   37    HD3  ARG   5           2HD      ARG   5  -4.960   1.188   5.907
   38    HE   ARG   5           HE       ARG   5  -6.212   2.881   4.979
   39   HH11  ARG   5          1HH1      ARG   5  -3.873   1.738   2.667
   40   HH12  ARG   5          2HH1      ARG   5  -4.566   2.611   1.339
   41   HH21  ARG   5          1HH2      ARG   5  -7.133   4.034   3.240
   42   HH22  ARG   5          2HH2      ARG   5  -6.419   3.918   1.667
   43    H    GLN   6           H        GLN   6  -0.763   5.463   7.529
   44    HA   GLN   6           HA       GLN   6  -2.111   6.407   9.770
   45    HB3  GLN   6           2HB      GLN   6   0.382   7.832   9.129
   46    HG3  GLN   6           2HG      GLN   6  -0.441   6.006  11.374
   47   HE21  GLN   6          1HE2      GLN   6   1.086   5.350  12.718
   48   HE22  GLN   6          2HE2      GLN   6   2.730   5.883  12.717
   49    H    ARG   7           H        ARG   7  -1.555   7.909   6.701
   50    HA   ARG   7           HA       ARG   7  -2.034  10.596   7.560
   51    HB3  ARG   7           2HB      ARG   7  -2.485  10.811   4.965
   52    HG3  ARG   7           2HG      ARG   7   0.013  10.581   6.477
   53    HD3  ARG   7           2HD      ARG   7   0.688  10.969   3.715
   54    HE   ARG   7           HE       ARG   7   1.775   8.707   5.131
   55   HH11  ARG   7          1HH1      ARG   7   1.879  12.159   4.692
   56   HH12  ARG   7          2HH1      ARG   7   3.500  12.317   5.283
   57   HH21  ARG   7          1HH2      ARG   7   3.909   8.902   5.911
   58   HH22  ARG   7          2HH2      ARG   7   4.655  10.463   5.976
   59    H    ARG   8           H        ARG   8  -4.014   7.907   6.734
   60    HA   ARG   8           HA       ARG   8  -6.371   9.589   6.328
   61    HB3  ARG   8           2HB      ARG   8  -7.399   7.163   6.077
   62    HG3  ARG   8           2HG      ARG   8  -6.123   8.948   4.207
   63    HD3  ARG   8           2HD      ARG   8  -6.363   6.118   3.244
   64    HE   ARG   8           HE       ARG   8  -5.990   8.416   1.849
   65   HH11  ARG   8          1HH1      ARG   8  -4.041   5.590   2.425
   66   HH12  ARG   8          2HH1      ARG   8  -3.214   5.689   0.905
   67   HH21  ARG   8          1HH2      ARG   8  -4.909   8.559  -0.155
   68   HH22  ARG   8          2HH2      ARG   8  -3.708   7.379  -0.561
   69    H    GLY   9           H        GLY   9  -4.982   7.315   8.610
   70    HA2  GLY   9           2HA      GLY   9  -5.607   7.822  10.971
   71    HA3  GLY   9           3HA      GLY   9  -7.272   7.829  10.408
   72    H    GLU  10           H        GLU  10  -5.242   5.490   8.960
   73    HA   GLU  10           HA       GLU  10  -6.387   3.413  10.710
   74    HB3  GLU  10           2HB      GLU  10  -6.401   1.918   8.768
   75    HG3  GLU  10           2HG      GLU  10  -8.141   4.052   9.119
   76    H    GLU  11           H        GLU  11  -3.557   4.726   9.257
   77    HA   GLU  11           HA       GLU  11  -1.347   4.327   9.676
   78    HB3  GLU  11           2HB      GLU  11  -1.998   1.947  11.371
   79    HG3  GLU  11           2HG      GLU  11   0.116   4.047  11.332
   80    H    ARG  12           H        ARG  12  -2.963   1.144   9.688
   81    HA   ARG  12           HA       ARG  12  -1.377   0.429   7.316
   82    HB3  ARG  12           2HB      ARG  12  -1.000  -1.796   8.194
   83    HG3  ARG  12           2HG      ARG  12   0.294  -1.316  10.289
   84    HD3  ARG  12           2HD      ARG  12   1.845   0.342   9.144
   85    HE   ARG  12           HE       ARG  12   1.443  -1.721   7.190
   86   HH11  ARG  12          1HH1      ARG  12   2.550  -1.024  10.417
   87   HH12  ARG  12          2HH1      ARG  12   3.591  -2.407  10.499
   88   HH21  ARG  12          1HH2      ARG  12   2.809  -3.546   7.286
   89   HH22  ARG  12          2HH2      ARG  12   3.738  -3.840   8.717
   90    H    LYS  13           H        LYS  13  -2.313  -1.231   5.980
   91    HA   LYS  13           HA       LYS  13  -5.043  -0.882   5.491
   92    HB3  LYS  13           2HB      LYS  13  -3.577  -1.616   3.729
   93    HG3  LYS  13           2HG      LYS  13  -3.287  -4.282   5.082
   94    HD3  LYS  13           2HD      LYS  13  -1.296  -4.280   3.431
   95    HE3  LYS  13           2HE      LYS  13  -3.584  -5.522   3.310
   96    HZ1  LYS  13           3HZ      LYS  13  -4.248  -4.569   0.810
   97    HZ2  LYS  13           1HZ      LYS  13  -4.125  -3.194   1.788
   98    HZ3  LYS  13           2HZ      LYS  13  -5.170  -4.449   2.224
   99    H    ALA  14           H        ALA  14  -6.689  -1.517   6.706
  100    HA   ALA  14           HA       ALA  14  -6.515  -4.137   8.047
  101    HB1  ALA  14           1HB      ALA  14  -6.949  -3.188  10.004
  102    HB2  ALA  14           2HB      ALA  14  -6.854  -1.604   9.230
  103    HB3  ALA  14           3HB      ALA  14  -8.406  -2.437   9.352
  104    HA   PRO  15           HA       PRO  15 -10.256  -5.348   6.102
  105    HB3  PRO  15           2HB      PRO  15 -10.104  -7.332   7.251
  106    HG3  PRO  15           2HG      PRO  15  -9.361  -7.388   9.454
  107    HD3  PRO  15           2HD      PRO  15  -7.685  -6.123   8.502
  Start of MODEL   15
    1    H1   MET   1           H        MET   1   4.811  -3.008   3.078
    2    HA   MET   1           HA       MET   1   4.378  -0.637   3.479
    3    HB3  MET   1           2HB      MET   1   1.717  -0.840   3.399
    4    HG3  MET   1           2HG      MET   1   3.598  -1.692   1.216
    5    HE1  MET   1           3HE      MET   1   3.003  -3.151  -0.118
    6    HE2  MET   1           1HE      MET   1   1.397  -3.668  -0.630
    7    HE3  MET   1           2HE      MET   1   2.249  -2.415  -1.533
    8    H    TRP   2           H        TRP   2   4.595   0.578   5.236
    9    HA   TRP   2           HA       TRP   2   2.679   0.234   7.423
   10    HB3  TRP   2           2HB      TRP   2   4.565  -0.932   8.283
   11    HD1  TRP   2           HD       TRP   2   6.343   2.491   7.870
   12    HE1  TRP   2           1HE      TRP   2   8.710   2.047   6.962
   13    HE3  TRP   2           3HE      TRP   2   6.041  -2.575   7.256
   14    HZ2  TRP   2           2HZ      TRP   2  10.246  -0.159   6.099
   15    HZ3  TRP   2           3HZ      TRP   2   8.003  -3.776   6.384
   16    HH2  TRP   2           HH       TRP   2  10.061  -2.591   5.817
   17    H    GLN   3           H        GLN   3   2.394   2.125   8.734
   18    HA   GLN   3           HA       GLN   3   2.024   4.354   8.998
   19    HB3  GLN   3           2HB      GLN   3   4.012   5.844   8.392
   20    HG3  GLN   3           2HG      GLN   3   4.866   3.527  10.083
   21   HE21  GLN   3          1HE2      GLN   3   4.408   7.051  10.106
   22   HE22  GLN   3          2HE2      GLN   3   5.988   7.421  10.697
   23    H    ARG   4           H        ARG   4   1.302   3.019   6.437
   24    HA   ARG   4           HA       ARG   4   1.537   5.165   4.484
   25    HB3  ARG   4           2HB      ARG   4  -0.112   3.278   3.359
   26    HG3  ARG   4           2HG      ARG   4   2.789   2.703   3.231
   27    HD3  ARG   4           2HD      ARG   4   0.599   3.145   1.207
   28    HE   ARG   4           HE       ARG   4   3.053   1.996   0.272
   29   HH11  ARG   4          1HH1      ARG   4   1.335   4.974   0.817
   30   HH12  ARG   4          2HH1      ARG   4   2.223   5.858  -0.379
   31   HH21  ARG   4          1HH2      ARG   4   4.230   3.149  -1.306
   32   HH22  ARG   4          2HH2      ARG   4   3.869   4.818  -1.587
   33    H    ARG   5           H        ARG   5  -0.942   3.532   6.400
   34    HA   ARG   5           HA       ARG   5  -2.994   5.335   5.376
   35    HB3  ARG   5           2HB      ARG   5  -4.205   3.800   7.308
   36    HG3  ARG   5           2HG      ARG   5  -4.015   3.702   4.390
   37    HD3  ARG   5           2HD      ARG   5  -5.131   1.554   4.182
   38    HE   ARG   5           HE       ARG   5  -2.789   0.724   5.652
   39   HH11  ARG   5          1HH1      ARG   5  -4.025   2.092   2.698
   40   HH12  ARG   5          2HH1      ARG   5  -2.642   1.641   1.757
   41   HH21  ARG   5          1HH2      ARG   5  -0.962   0.126   4.424
   42   HH22  ARG   5          2HH2      ARG   5  -0.900   0.522   2.739
   43    H    GLN   6           H        GLN   6  -0.721   5.357   7.784
   44    HA   GLN   6           HA       GLN   6  -2.051   6.283  10.045
   45    HB3  GLN   6           2HB      GLN   6   0.308   5.664  10.070
   46    HG3  GLN   6           2HG      GLN   6   0.702   6.977   7.810
   47   HE21  GLN   6          1HE2      GLN   6   2.787   8.593   7.633
   48   HE22  GLN   6          2HE2      GLN   6   2.431  10.166   8.252
   49    H    ARG   7           H        ARG   7  -1.431   7.844   7.033
   50    HA   ARG   7           HA       ARG   7  -1.789  10.525   8.016
   51    HB3  ARG   7           2HB      ARG   7  -2.086  10.888   5.415
   52    HG3  ARG   7           2HG      ARG   7   0.350  10.397   7.004
   53    HD3  ARG   7           2HD      ARG   7   0.894  11.067   4.201
   54    HE   ARG   7           HE       ARG   7   2.376   8.992   5.545
   55   HH11  ARG   7          1HH1      ARG   7   1.965  12.421   5.105
   56   HH12  ARG   7          2HH1      ARG   7   3.581  12.810   5.591
   57   HH21  ARG   7          1HH2      ARG   7   4.507   9.491   6.188
   58   HH22  ARG   7          2HH2      ARG   7   5.027  11.142   6.207
   59    H    ARG   8           H        ARG   8  -3.827   7.960   6.994
   60    HA   ARG   8           HA       ARG   8  -6.087   9.747   6.507
   61    HB3  ARG   8           2HB      ARG   8  -7.161   7.310   6.197
   62    HG3  ARG   8           2HG      ARG   8  -5.904   9.189   4.396
   63    HD3  ARG   8           2HD      ARG   8  -6.222   6.438   3.265
   64    HE   ARG   8           HE       ARG   8  -5.291   8.948   2.239
   65   HH11  ARG   8          1HH1      ARG   8  -5.067   5.488   1.928
   66   HH12  ARG   8          2HH1      ARG   8  -4.583   5.538   0.264
   67   HH21  ARG   8          1HH2      ARG   8  -4.656   9.027   0.049
   68   HH22  ARG   8          2HH2      ARG   8  -4.349   7.551  -0.803
   69    H    GLY   9           H        GLY   9  -4.967   7.289   8.766
   70    HA2  GLY   9           2HA      GLY   9  -5.670   7.776  11.119
   71    HA3  GLY   9           3HA      GLY   9  -7.299   7.905  10.474
   72    H    GLU  10           H        GLU  10  -5.417   5.494   8.991
   73    HA   GLU  10           HA       GLU  10  -6.735   3.436  10.641
   74    HB3  GLU  10           2HB      GLU  10  -6.593   2.011   8.551
   75    HG3  GLU  10           2HG      GLU  10  -8.365   4.350   8.877
   76    H    GLU  11           H        GLU  11  -3.785   4.582   9.264
   77    HA   GLU  11           HA       GLU  11  -1.617   4.018   9.710
   78    HB3  GLU  11           2HB      GLU  11  -2.459   1.670  11.364
   79    HG3  GLU  11           2HG      GLU  11  -0.521   3.701  12.291
   80    H    ARG  12           H        ARG  12  -3.452   0.957   9.666
   81    HA   ARG  12           HA       ARG  12  -1.911   0.165   7.290
   82    HB3  ARG  12           2HB      ARG  12  -1.780  -2.137   8.183
   83    HG3  ARG  12           2HG      ARG  12  -0.317  -1.545  10.275
   84    HD3  ARG  12           2HD      ARG  12   0.771  -0.301   7.823
   85    HE   ARG  12           HE       ARG  12   2.528  -0.994   9.129
   86   HH11  ARG  12          1HH1      ARG  12   0.234  -3.590   8.784
   87   HH12  ARG  12          2HH1      ARG  12   1.274  -4.778   9.498
   88   HH21  ARG  12          1HH2      ARG  12   3.907  -2.550  10.070
   89   HH22  ARG  12          2HH2      ARG  12   3.362  -4.186  10.229
   90    H    LYS  13           H        LYS  13  -2.948  -1.414   5.941
   91    HA   LYS  13           HA       LYS  13  -5.696  -0.935   5.561
   92    HB3  LYS  13           2HB      LYS  13  -3.886  -1.746   3.884
   93    HG3  LYS  13           2HG      LYS  13  -4.038  -4.149   3.376
   94    HD3  LYS  13           2HD      LYS  13  -2.599  -4.947   5.217
   95    HE3  LYS  13           2HE      LYS  13  -2.002  -2.103   4.404
   96    HZ1  LYS  13           3HZ      LYS  13  -0.148  -4.312   5.109
   97    HZ2  LYS  13           1HZ      LYS  13  -0.532  -3.017   6.128
   98    HZ3  LYS  13           2HZ      LYS  13   0.283  -2.736   4.672
   99    H    ALA  14           H        ALA  14  -7.500  -2.031   6.146
  100    HA   ALA  14           HA       ALA  14  -7.250  -4.624   7.461
  101    HB1  ALA  14           1HB      ALA  14  -8.050  -2.107   8.806
  102    HB2  ALA  14           2HB      ALA  14  -8.952  -3.569   9.209
  103    HB3  ALA  14           3HB      ALA  14  -7.204  -3.518   9.446
  104    HA   PRO  15           HA       PRO  15 -11.055  -5.548   5.480
  105    HB3  PRO  15           2HB      PRO  15 -10.885  -7.666   6.356
  106    HG3  PRO  15           2HG      PRO  15 -10.073  -8.012   8.508
  107    HD3  PRO  15           2HD      PRO  15  -8.417  -6.643   7.675
  Start of MODEL   16
    1    H1   MET   1           H        MET   1   4.262  -0.067   1.966
    2    HA   MET   1           HA       MET   1   1.773  -0.652   2.906
    3    HB3  MET   1           2HB      MET   1   4.349  -1.901   3.877
    4    HG3  MET   1           2HG      MET   1   1.625  -3.150   3.645
    5    HE1  MET   1           3HE      MET   1   4.559  -5.123   6.368
    6    HE2  MET   1           1HE      MET   1   5.412  -3.893   5.433
    7    HE3  MET   1           2HE      MET   1   3.992  -3.452   6.382
    8    H    TRP   2           H        TRP   2   4.582  -0.074   5.031
    9    HA   TRP   2           HA       TRP   2   2.801   0.357   7.286
   10    HB3  TRP   2           2HB      TRP   2   4.901  -0.963   7.525
   11    HD1  TRP   2           HD       TRP   2   6.506   2.426   8.265
   12    HE1  TRP   2           1HE      TRP   2   8.721   2.591   6.965
   13    HE3  TRP   2           3HE      TRP   2   6.101  -1.810   5.431
   14    HZ2  TRP   2           2HZ      TRP   2  10.113   1.119   4.999
   15    HZ3  TRP   2           3HZ      TRP   2   7.917  -2.360   3.865
   16    HH2  TRP   2           HH       TRP   2   9.881  -0.924   3.655
   17    H    GLN   3           H        GLN   3   2.579   2.271   8.417
   18    HA   GLN   3           HA       GLN   3   2.414   4.520   8.713
   19    HB3  GLN   3           2HB      GLN   3   4.537   5.780   7.663
   20    HG3  GLN   3           2HG      GLN   3   5.817   4.663   9.757
   21   HE21  GLN   3          1HE2      GLN   3   6.103   6.135  11.398
   22   HE22  GLN   3          2HE2      GLN   3   5.349   7.690  11.406
   23    H    ARG   4           H        ARG   4   1.558   3.171   6.141
   24    HA   ARG   4           HA       ARG   4   1.725   5.350   4.220
   25    HB3  ARG   4           2HB      ARG   4   0.037   3.503   3.108
   26    HG3  ARG   4           2HG      ARG   4   2.955   2.945   2.948
   27    HD3  ARG   4           2HD      ARG   4   1.001   1.936   1.535
   28    HE   ARG   4           HE       ARG   4   0.761   4.587   0.708
   29   HH11  ARG   4          1HH1      ARG   4   1.143   1.423  -0.695
   30   HH12  ARG   4          2HH1      ARG   4   0.306   1.828  -2.158
   31   HH21  ARG   4          1HH2      ARG   4  -0.343   5.131  -1.213
   32   HH22  ARG   4          2HH2      ARG   4  -0.537   3.938  -2.452
   33    H    ARG   5           H        ARG   5  -0.719   3.645   6.134
   34    HA   ARG   5           HA       ARG   5  -2.784   5.497   5.244
   35    HB3  ARG   5           2HB      ARG   5  -3.949   3.919   7.164
   36    HG3  ARG   5           2HG      ARG   5  -3.840   3.904   4.246
   37    HD3  ARG   5           2HD      ARG   5  -4.926   1.743   3.995
   38    HE   ARG   5           HE       ARG   5  -2.519   0.906   5.351
   39   HH11  ARG   5          1HH1      ARG   5  -3.881   2.363   2.497
   40   HH12  ARG   5          2HH1      ARG   5  -2.522   1.977   1.494
   41   HH21  ARG   5          1HH2      ARG   5  -0.724   0.394   4.040
   42   HH22  ARG   5          2HH2      ARG   5  -0.728   0.857   2.372
   43    H    GLN   6           H        GLN   6  -0.435   5.454   7.574
   44    HA   GLN   6           HA       GLN   6  -1.686   6.316   9.904
   45    HB3  GLN   6           2HB      GLN   6   0.642   7.696  10.002
   46    HG3  GLN   6           2HG      GLN   6   1.152   4.833  10.229
   47   HE21  GLN   6          1HE2      GLN   6   0.194   7.574  12.274
   48   HE22  GLN   6          2HE2      GLN   6   1.640   7.592  13.220
   49    H    ARG   7           H        ARG   7  -1.149   7.969   6.919
   50    HA   ARG   7           HA       ARG   7  -1.494  10.616   7.993
   51    HB3  ARG   7           2HB      ARG   7  -1.855  11.060   5.415
   52    HG3  ARG   7           2HG      ARG   7   0.624  10.513   6.919
   53    HD3  ARG   7           2HD      ARG   7   1.051  11.276   4.109
   54    HE   ARG   7           HE       ARG   7   2.657   9.237   5.360
   55   HH11  ARG   7          1HH1      ARG   7   2.112  12.655   4.988
   56   HH12  ARG   7          2HH1      ARG   7   3.732  13.092   5.414
   57   HH21  ARG   7          1HH2      ARG   7   4.795   9.800   5.922
   58   HH22  ARG   7          2HH2      ARG   7   5.258  11.468   5.945
   59    H    ARG   8           H        ARG   8  -3.548   8.076   6.938
   60    HA   ARG   8           HA       ARG   8  -5.827   9.868   6.567
   61    HB3  ARG   8           2HB      ARG   8  -6.883   7.417   6.218
   62    HG3  ARG   8           2HG      ARG   8  -5.828   9.425   4.465
   63    HD3  ARG   8           2HD      ARG   8  -5.989   6.857   3.020
   64    HE   ARG   8           HE       ARG   8  -3.875   8.688   2.416
   65   HH11  ARG   8          1HH1      ARG   8  -7.285   8.087   2.055
   66   HH12  ARG   8          2HH1      ARG   8  -7.432   9.038   0.614
   67   HH21  ARG   8          1HH2      ARG   8  -4.056   9.943   0.520
   68   HH22  ARG   8          2HH2      ARG   8  -5.596  10.091  -0.259
   69    H    GLY   9           H        GLY   9  -4.642   7.340   8.713
   70    HA2  GLY   9           2HA      GLY   9  -5.282   7.735  11.098
   71    HA3  GLY   9           3HA      GLY   9  -6.929   7.897  10.502
   72    H    GLU  10           H        GLU  10  -5.074   5.532   8.899
   73    HA   GLU  10           HA       GLU  10  -6.372   3.422  10.495
   74    HB3  GLU  10           2HB      GLU  10  -6.149   2.092   8.284
   75    HG3  GLU  10           2HG      GLU  10  -8.108   4.339   8.628
   76    H    GLU  11           H        GLU  11  -3.442   4.617   9.131
   77    HA   GLU  11           HA       GLU  11  -1.269   4.032   9.517
   78    HB3  GLU  11           2HB      GLU  11  -2.154   1.639  11.101
   79    HG3  GLU  11           2HG      GLU  11   0.299   3.119  10.779
   80    H    ARG  12           H        ARG  12  -3.101   0.969   9.381
   81    HA   ARG  12           HA       ARG  12  -1.607   0.281   6.945
   82    HB3  ARG  12           2HB      ARG  12  -2.138  -2.131   8.304
   83    HG3  ARG  12           2HG      ARG  12   0.231  -0.635   7.430
   84    HD3  ARG  12           2HD      ARG  12   0.303  -1.758   9.991
   85    HE   ARG  12           HE       ARG  12   0.730  -3.890   8.376
   86   HH11  ARG  12          1HH1      ARG  12   2.780  -2.018  10.478
   87   HH12  ARG  12          2HH1      ARG  12   3.829  -3.346  10.851
   88   HH21  ARG  12          1HH2      ARG  12   2.105  -5.644   8.860
   89   HH22  ARG  12          2HH2      ARG  12   3.445  -5.407   9.930
   90    H    LYS  13           H        LYS  13  -2.664  -1.255   5.559
   91    HA   LYS  13           HA       LYS  13  -5.393  -0.758   5.188
   92    HB3  LYS  13           2HB      LYS  13  -3.814  -1.510   3.416
   93    HG3  LYS  13           2HG      LYS  13  -3.181  -3.588   5.076
   94    HD3  LYS  13           2HD      LYS  13  -5.295  -4.444   3.174
   95    HE3  LYS  13           2HE      LYS  13  -3.252  -5.504   2.282
   96    HZ1  LYS  13           3HZ      LYS  13  -1.736  -5.880   3.901
   97    HZ2  LYS  13           1HZ      LYS  13  -2.495  -7.393   3.948
   98    HZ3  LYS  13           2HZ      LYS  13  -2.894  -6.210   5.091
   99    H    ALA  14           H        ALA  14  -7.221  -1.764   5.827
  100    HA   ALA  14           HA       ALA  14  -7.042  -4.345   7.190
  101    HB1  ALA  14           1HB      ALA  14  -7.083  -3.298   9.177
  102    HB2  ALA  14           2HB      ALA  14  -7.661  -1.783   8.482
  103    HB3  ALA  14           3HB      ALA  14  -8.799  -3.085   8.831
  104    HA   PRO  15           HA       PRO  15 -10.848  -5.252   5.205
  105    HB3  PRO  15           2HB      PRO  15 -10.744  -7.337   6.167
  106    HG3  PRO  15           2HG      PRO  15  -9.971  -7.617   8.341
  107    HD3  PRO  15           2HD      PRO  15  -8.268  -6.324   7.479
  Start of MODEL   17
    1    H1   MET   1           H        MET   1   4.430  -1.517   2.362
    2    HA   MET   1           HA       MET   1   1.637  -0.789   2.949
    3    HB3  MET   1           2HB      MET   1   1.793  -3.090   2.107
    4    HG3  MET   1           2HG      MET   1   3.661  -3.502   4.423
    5    HE1  MET   1           3HE      MET   1   4.061  -7.324   4.378
    6    HE2  MET   1           1HE      MET   1   4.988  -5.845   4.127
    7    HE3  MET   1           2HE      MET   1   3.992  -6.026   5.570
    8    H    TRP   2           H        TRP   2   3.941   0.540   3.970
    9    HA   TRP   2           HA       TRP   2   3.641  -0.108   6.825
   10    HB3  TRP   2           2HB      TRP   2   6.196   0.618   5.378
   11    HD1  TRP   2           HD       TRP   2   4.578   0.678   8.831
   12    HE1  TRP   2           1HE      TRP   2   6.276   1.608  10.528
   13    HE3  TRP   2           3HE      TRP   2   8.723   0.810   5.842
   14    HZ2  TRP   2           2HZ      TRP   2   9.010   2.305  10.590
   15    HZ3  TRP   2           3HZ      TRP   2  10.839   1.622   6.797
   16    HH2  TRP   2           HH       TRP   2  10.979   2.354   9.122
   17    H    GLN   3           H        GLN   3   2.684   1.535   7.811
   18    HA   GLN   3           HA       GLN   3   2.027   3.635   8.386
   19    HB3  GLN   3           2HB      GLN   3   3.825   5.456   7.909
   20    HG3  GLN   3           2HG      GLN   3   4.043   3.153   9.764
   21   HE21  GLN   3          1HE2      GLN   3   5.577   3.933  11.684
   22   HE22  GLN   3          2HE2      GLN   3   7.214   4.178  11.192
   23    H    ARG   4           H        ARG   4   1.238   2.629   5.817
   24    HA   ARG   4           HA       ARG   4   1.334   4.921   4.027
   25    HB3  ARG   4           2HB      ARG   4  -0.388   3.062   2.905
   26    HG3  ARG   4           2HG      ARG   4   2.533   2.731   2.458
   27    HD3  ARG   4           2HD      ARG   4   1.612   3.028   0.062
   28    HE   ARG   4           HE       ARG   4   1.977   0.763   1.466
   29   HH11  ARG   4          1HH1      ARG   4  -0.495   1.769  -0.769
   30   HH12  ARG   4          2HH1      ARG   4  -0.819   0.165  -1.336
   31   HH21  ARG   4          1HH2      ARG   4   1.561  -1.354   0.727
   32   HH22  ARG   4          2HH2      ARG   4   0.351  -1.612  -0.485
   33    H    ARG   5           H        ARG   5  -0.857   3.341   6.224
   34    HA   ARG   5           HA       ARG   5  -3.089   5.009   5.334
   35    HB3  ARG   5           2HB      ARG   5  -4.484   3.623   6.746
   36    HG3  ARG   5           2HG      ARG   5  -4.145   1.405   5.823
   37    HD3  ARG   5           2HD      ARG   5  -4.105   1.964   3.444
   38    HE   ARG   5           HE       ARG   5  -5.748   3.493   5.250
   39   HH11  ARG   5          1HH1      ARG   5  -5.027   2.769   1.921
   40   HH12  ARG   5          2HH1      ARG   5  -6.591   3.241   1.345
   41   HH21  ARG   5          1HH2      ARG   5  -7.810   4.117   4.502
   42   HH22  ARG   5          2HH2      ARG   5  -8.173   4.008   2.814
   43    H    GLN   6           H        GLN   6  -0.567   5.170   7.488
   44    HA   GLN   6           HA       GLN   6  -1.669   6.163   9.839
   45    HB3  GLN   6           2HB      GLN   6   0.779   7.543   9.033
   46    HG3  GLN   6           2HG      GLN   6   0.448   5.433  11.140
   47   HE21  GLN   6          1HE2      GLN   6   2.171   5.219  12.414
   48   HE22  GLN   6          2HE2      GLN   6   3.593   6.195  12.336
   49    H    ARG   7           H        ARG   7  -1.269   7.672   6.732
   50    HA   ARG   7           HA       ARG   7  -1.625  10.360   7.631
   51    HB3  ARG   7           2HB      ARG   7  -2.246  10.618   5.081
   52    HG3  ARG   7           2HG      ARG   7   0.344  10.260   6.398
   53    HD3  ARG   7           2HD      ARG   7   0.861  10.637   3.611
   54    HE   ARG   7           HE       ARG   7   1.869   8.272   4.912
   55   HH11  ARG   7          1HH1      ARG   7   2.187  11.719   4.544
   56   HH12  ARG   7          2HH1      ARG   7   3.845  11.750   5.040
   57   HH21  ARG   7          1HH2      ARG   7   4.054   8.300   5.566
   58   HH22  ARG   7          2HH2      ARG   7   4.907   9.805   5.621
   59    H    ARG   8           H        ARG   8  -3.739   7.735   6.924
   60    HA   ARG   8           HA       ARG   8  -6.068   9.489   6.705
   61    HB3  ARG   8           2HB      ARG   8  -7.150   7.050   6.547
   62    HG3  ARG   8           2HG      ARG   8  -6.134   8.909   4.597
   63    HD3  ARG   8           2HD      ARG   8  -6.480   6.157   3.494
   64    HE   ARG   8           HE       ARG   8  -4.663   7.964   2.231
   65   HH11  ARG   8          1HH1      ARG   8  -8.030   7.177   2.633
   66   HH12  ARG   8          2HH1      ARG   8  -8.509   7.881   1.124
   67   HH21  ARG   8          1HH2      ARG   8  -5.281   8.894   0.242
   68   HH22  ARG   8          2HH2      ARG   8  -6.944   8.857  -0.235
   69    H    GLY   9           H        GLY   9  -4.574   7.171   8.870
   70    HA2  GLY   9           2HA      GLY   9  -5.016   7.667  11.272
   71    HA3  GLY   9           3HA      GLY   9  -6.716   7.727  10.831
   72    H    GLU  10           H        GLU  10  -4.821   5.345   9.251
   73    HA   GLU  10           HA       GLU  10  -5.908   3.285  11.058
   74    HB3  GLU  10           2HB      GLU  10  -5.600   1.919   8.753
   75    HG3  GLU  10           2HG      GLU  10  -8.088   3.472   8.738
   76    H    GLU  11           H        GLU  11  -3.138   4.666   9.729
   77    HA   GLU  11           HA       GLU  11  -0.925   4.194  10.033
   78    HB3  GLU  11           2HB      GLU  11  -0.230   2.605  11.627
   79    HG3  GLU  11           2HG      GLU  11  -1.547   2.931  13.538
   80    H    ARG  12           H        ARG  12  -2.548   1.042   9.606
   81    HA   ARG  12           HA       ARG  12  -1.036   0.696   7.110
   82    HB3  ARG  12           2HB      ARG  12  -0.563  -1.605   7.639
   83    HG3  ARG  12           2HG      ARG  12   0.343  -1.020  10.209
   84    HD3  ARG  12           2HD      ARG  12   1.873  -0.328   7.728
   85    HE   ARG  12           HE       ARG  12   2.738  -0.575  10.264
   86   HH11  ARG  12          1HH1      ARG  12   3.234  -2.504   7.409
   87   HH12  ARG  12          2HH1      ARG  12   4.808  -3.046   7.890
   88   HH21  ARG  12          1HH2      ARG  12   4.808  -1.280  10.909
   89   HH22  ARG  12          2HH2      ARG  12   5.702  -2.350   9.882
   90    H    LYS  13           H        LYS  13  -2.005  -0.761   5.580
   91    HA   LYS  13           HA       LYS  13  -4.763  -0.404   5.265
   92    HB3  LYS  13           2HB      LYS  13  -4.593  -1.824   3.352
   93    HG3  LYS  13           2HG      LYS  13  -1.775  -0.947   3.315
   94    HD3  LYS  13           2HD      LYS  13  -2.532   0.085   1.199
   95    HE3  LYS  13           2HE      LYS  13  -3.348  -2.800   1.551
   96    HZ1  LYS  13           3HZ      LYS  13  -3.086  -1.093  -0.797
   97    HZ2  LYS  13           1HZ      LYS  13  -4.074  -2.443  -0.544
   98    HZ3  LYS  13           2HZ      LYS  13  -2.437  -2.650  -0.917
   99    H    ALA  14           H        ALA  14  -6.347  -1.274   6.412
  100    HA   ALA  14           HA       ALA  14  -6.284  -4.132   7.006
  101    HB1  ALA  14           1HB      ALA  14  -7.323  -2.754   9.303
  102    HB2  ALA  14           2HB      ALA  14  -6.025  -3.944   9.203
  103    HB3  ALA  14           3HB      ALA  14  -5.672  -2.232   8.968
  104    HA   PRO  15           HA       PRO  15 -10.567  -4.025   6.063
  105    HB3  PRO  15           2HB      PRO  15 -10.600  -6.298   6.395
  106    HG3  PRO  15           2HG      PRO  15  -9.363  -7.280   8.103
  107    HD3  PRO  15           2HD      PRO  15  -7.732  -5.972   7.132
  Start of MODEL   18
    1    H1   MET   1           H        MET   1   3.656  -2.513   3.715
    2    HA   MET   1           HA       MET   1   2.401   0.050   3.043
    3    HB3  MET   1           2HB      MET   1   0.295  -0.857   4.198
    4    HG3  MET   1           2HG      MET   1   0.698  -0.573   1.652
    5    HE1  MET   1           3HE      MET   1   1.731  -2.725  -1.017
    6    HE2  MET   1           1HE      MET   1   1.325  -1.147  -0.341
    7    HE3  MET   1           2HE      MET   1   2.828  -1.944   0.122
    8    H    TRP   2           H        TRP   2   4.129   0.783   4.480
    9    HA   TRP   2           HA       TRP   2   3.426   0.394   7.316
   10    HB3  TRP   2           2HB      TRP   2   5.874   1.028   7.733
   11    HD1  TRP   2           HD       TRP   2   5.214  -1.879   5.233
   12    HE1  TRP   2           1HE      TRP   2   5.703  -4.090   6.457
   13    HE3  TRP   2           3HE      TRP   2   6.382  -0.012   9.848
   14    HZ2  TRP   2           2HZ      TRP   2   6.481  -4.932   9.037
   15    HZ3  TRP   2           3HZ      TRP   2   6.987  -1.589  11.638
   16    HH2  TRP   2           HH       TRP   2   7.033  -3.997  11.240
   17    H    GLN   3           H        GLN   3   2.599   2.148   8.223
   18    HA   GLN   3           HA       GLN   3   2.066   4.315   8.663
   19    HB3  GLN   3           2HB      GLN   3   4.053   5.961   8.127
   20    HG3  GLN   3           2HG      GLN   3   3.734   3.975  10.260
   21   HE21  GLN   3          1HE2      GLN   3   5.249   3.993  12.077
   22   HE22  GLN   3          2HE2      GLN   3   6.944   3.985  11.742
   23    H    ARG   4           H        ARG   4   1.579   3.172   5.960
   24    HA   ARG   4           HA       ARG   4   1.774   5.489   4.211
   25    HB3  ARG   4           2HB      ARG   4   0.288   3.569   2.878
   26    HG3  ARG   4           2HG      ARG   4   3.258   3.388   2.790
   27    HD3  ARG   4           2HD      ARG   4   1.167   3.651   0.635
   28    HE   ARG   4           HE       ARG   4   3.685   2.450  -0.013
   29   HH11  ARG   4          1HH1      ARG   4   1.971   5.465   0.279
   30   HH12  ARG   4          2HH1      ARG   4   2.991   6.304  -0.843
   31   HH21  ARG   4          1HH2      ARG   4   5.036   3.542  -1.492
   32   HH22  ARG   4          2HH2      ARG   4   4.734   5.208  -1.851
   33    H    ARG   5           H        ARG   5  -0.567   3.810   6.155
   34    HA   ARG   5           HA       ARG   5  -2.762   5.374   5.011
   35    HB3  ARG   5           2HB      ARG   5  -4.252   3.882   6.097
   36    HG3  ARG   5           2HG      ARG   5  -2.108   1.899   5.566
   37    HD3  ARG   5           2HD      ARG   5  -4.392   1.159   5.984
   38    HE   ARG   5           HE       ARG   5  -5.976   2.619   5.183
   39   HH11  ARG   5          1HH1      ARG   5  -3.796   1.733   2.617
   40   HH12  ARG   5          2HH1      ARG   5  -4.756   2.461   1.373
   41   HH21  ARG   5          1HH2      ARG   5  -7.249   3.582   3.554
   42   HH22  ARG   5          2HH2      ARG   5  -6.720   3.514   1.907
   43    H    GLN   6           H        GLN   6  -0.519   5.611   7.453
   44    HA   GLN   6           HA       GLN   6  -1.929   6.527   9.663
   45    HB3  GLN   6           2HB      GLN   6   0.557   7.991   9.092
   46    HG3  GLN   6           2HG      GLN   6  -0.459   6.257  11.311
   47   HE21  GLN   6          1HE2      GLN   6   2.011   8.642  11.629
   48   HE22  GLN   6          2HE2      GLN   6   3.291   7.569  12.066
   49    H    ARG   7           H        ARG   7  -1.187   8.118   6.650
   50    HA   ARG   7           HA       ARG   7  -1.784  10.765   7.519
   51    HB3  ARG   7           2HB      ARG   7  -2.110  11.033   4.918
   52    HG3  ARG   7           2HG      ARG   7   0.327  10.747   6.521
   53    HD3  ARG   7           2HD      ARG   7   1.086  11.225   3.789
   54    HE   ARG   7           HE       ARG   7   2.163   8.946   5.185
   55   HH11  ARG   7          1HH1      ARG   7   2.232  12.407   4.827
   56   HH12  ARG   7          2HH1      ARG   7   3.832  12.572   5.469
   57   HH21  ARG   7          1HH2      ARG   7   4.271   9.150   6.031
   58   HH22  ARG   7          2HH2      ARG   7   4.993  10.719   6.153
   59    H    ARG   8           H        ARG   8  -3.683   8.065   6.533
   60    HA   ARG   8           HA       ARG   8  -6.045   9.722   6.064
   61    HB3  ARG   8           2HB      ARG   8  -6.989   7.242   5.744
   62    HG3  ARG   8           2HG      ARG   8  -5.900   9.205   3.966
   63    HD3  ARG   8           2HD      ARG   8  -5.880   6.563   2.639
   64    HE   ARG   8           HE       ARG   8  -3.828   8.456   2.027
   65   HH11  ARG   8          1HH1      ARG   8  -7.198   7.706   1.573
   66   HH12  ARG   8          2HH1      ARG   8  -7.326   8.584   0.084
   67   HH21  ARG   8          1HH2      ARG   8  -3.985   9.615   0.068
   68   HH22  ARG   8          2HH2      ARG   8  -5.499   9.668  -0.771
   69    H    GLY   9           H        GLY   9  -4.714   7.431   8.358
   70    HA2  GLY   9           2HA      GLY   9  -5.459   7.857  10.696
   71    HA3  GLY   9           3HA      GLY   9  -7.096   7.857  10.058
   72    H    GLU  10           H        GLU  10  -4.951   5.585   8.658
   73    HA   GLU  10           HA       GLU  10  -6.160   3.446  10.287
   74    HB3  GLU  10           2HB      GLU  10  -5.507   2.134   8.032
   75    HG3  GLU  10           2HG      GLU  10  -8.026   3.722   7.918
   76    H    GLU  11           H        GLU  11  -3.282   4.900   9.171
   77    HA   GLU  11           HA       GLU  11  -1.102   4.519   9.735
   78    HB3  GLU  11           2HB      GLU  11  -1.585   1.948  11.110
   79    HG3  GLU  11           2HG      GLU  11   0.360   3.916  11.203
   80    H    ARG  12           H        ARG  12  -2.609   1.310   9.313
   81    HA   ARG  12           HA       ARG  12  -1.007   0.908   6.905
   82    HB3  ARG  12           2HB      ARG  12  -0.138  -1.216   7.623
   83    HG3  ARG  12           2HG      ARG  12   0.281   0.810   9.809
   84    HD3  ARG  12           2HD      ARG  12   0.996  -1.323  10.617
   85    HE   ARG  12           HE       ARG  12   1.845  -1.850   7.924
   86   HH11  ARG  12          1HH1      ARG  12   2.279  -2.690  11.274
   87   HH12  ARG  12          2HH1      ARG  12   2.885  -4.277  10.933
   88   HH21  ARG  12          1HH2      ARG  12   2.640  -3.937   7.462
   89   HH22  ARG  12          2HH2      ARG  12   3.091  -4.985   8.764
   90    H    LYS  13           H        LYS  13  -1.770  -0.827   5.562
   91    HA   LYS  13           HA       LYS  13  -4.556  -0.953   5.341
   92    HB3  LYS  13           2HB      LYS  13  -2.514  -2.868   4.194
   93    HG3  LYS  13           2HG      LYS  13  -4.331  -2.712   2.278
   94    HD3  LYS  13           2HD      LYS  13  -4.992  -4.525   4.564
   95    HE3  LYS  13           2HE      LYS  13  -4.739  -4.851   1.577
   96    HZ1  LYS  13           3HZ      LYS  13  -4.060  -6.843   2.944
   97    HZ2  LYS  13           1HZ      LYS  13  -5.314  -7.094   1.836
   98    HZ3  LYS  13           2HZ      LYS  13  -5.663  -6.920   3.481
   99    H    ALA  14           H        ALA  14  -5.935  -1.936   6.652
  100    HA   ALA  14           HA       ALA  14  -5.330  -4.653   7.569
  101    HB1  ALA  14           1HB      ALA  14  -6.718  -3.304   9.662
  102    HB2  ALA  14           2HB      ALA  14  -5.138  -4.087   9.704
  103    HB3  ALA  14           3HB      ALA  14  -5.268  -2.387   9.253
  104    HA   PRO  15           HA       PRO  15  -9.505  -5.582   6.589
  105    HB3  PRO  15           2HB      PRO  15  -9.084  -7.740   7.253
  106    HG3  PRO  15           2HG      PRO  15  -7.741  -8.188   9.098
  107    HD3  PRO  15           2HD      PRO  15  -6.376  -6.721   7.960
  Start of MODEL   19
    1    H1   MET   1           H        MET   1   3.579  -0.166   1.228
    2    HA   MET   1           HA       MET   1   1.863  -0.277   2.715
    3    HB3  MET   1           2HB      MET   1   1.562  -2.541   2.098
    4    HG3  MET   1           2HG      MET   1   3.984  -3.141   3.762
    5    HE1  MET   1           3HE      MET   1   4.831  -5.411   4.275
    6    HE2  MET   1           1HE      MET   1   3.661  -5.045   5.543
    7    HE3  MET   1           2HE      MET   1   3.705  -6.654   4.823
    8    H    TRP   2           H        TRP   2   3.507   1.317   3.771
    9    HA   TRP   2           HA       TRP   2   3.562   0.649   6.590
   10    HB3  TRP   2           2HB      TRP   2   6.126   1.750   5.536
   11    HD1  TRP   2           HD       TRP   2   4.640   1.836   8.485
   12    HE1  TRP   2           1HE      TRP   2   5.975   0.939  10.496
   13    HE3  TRP   2           3HE      TRP   2   8.047  -1.038   5.981
   14    HZ2  TRP   2           2HZ      TRP   2   8.180  -0.760  10.959
   15    HZ3  TRP   2           3HZ      TRP   2   9.737  -2.266   7.282
   16    HH2  TRP   2           HH       TRP   2   9.801  -2.129   9.719
   17    H    GLN   3           H        GLN   3   2.738   2.338   7.615
   18    HA   GLN   3           HA       GLN   3   2.139   4.462   8.164
   19    HB3  GLN   3           2HB      GLN   3   3.756   6.233   7.815
   20    HG3  GLN   3           2HG      GLN   3   5.449   3.793   8.176
   21   HE21  GLN   3          1HE2      GLN   3   7.390   4.718   8.098
   22   HE22  GLN   3          2HE2      GLN   3   7.878   6.093   9.022
   23    H    ARG   4           H        ARG   4   1.313   3.221   5.572
   24    HA   ARG   4           HA       ARG   4   0.952   5.526   3.832
   25    HB3  ARG   4           2HB      ARG   4  -0.462   3.601   2.606
   26    HG3  ARG   4           2HG      ARG   4   2.461   3.175   2.424
   27    HD3  ARG   4           2HD      ARG   4   0.591   3.999   0.241
   28    HE   ARG   4           HE       ARG   4   3.196   3.222   0.170
   29   HH11  ARG   4          1HH1      ARG   4   0.227   1.918  -1.099
   30   HH12  ARG   4          2HH1      ARG   4   0.984   1.182  -2.472
   31   HH21  ARG   4          1HH2      ARG   4   4.205   2.255  -1.634
   32   HH22  ARG   4          2HH2      ARG   4   3.248   1.373  -2.775
   33    H    ARG   5           H        ARG   5  -0.761   3.765   6.244
   34    HA   ARG   5           HA       ARG   5  -3.257   5.157   5.531
   35    HB3  ARG   5           2HB      ARG   5  -4.177   3.374   7.247
   36    HG3  ARG   5           2HG      ARG   5  -4.755   3.473   4.832
   37    HD3  ARG   5           2HD      ARG   5  -2.538   3.199   3.876
   38    HE   ARG   5           HE       ARG   5  -2.187   1.078   5.610
   39   HH11  ARG   5          1HH1      ARG   5  -1.794   1.686   2.204
   40   HH12  ARG   5          2HH1      ARG   5  -0.501   0.548   2.018
   41   HH21  ARG   5          1HH2      ARG   5  -0.486  -0.424   5.377
   42   HH22  ARG   5          2HH2      ARG   5   0.241  -0.652   3.822
   43    H    GLN   6           H        GLN   6  -0.684   5.221   7.643
   44    HA   GLN   6           HA       GLN   6  -1.823   5.771  10.126
   45    HB3  GLN   6           2HB      GLN   6   0.575   5.398   9.813
   46    HG3  GLN   6           2HG      GLN   6   0.552   7.030   7.715
   47   HE21  GLN   6          1HE2      GLN   6   2.609   8.791   7.654
   48   HE22  GLN   6          2HE2      GLN   6   2.183  10.241   8.492
   49    H    ARG   7           H        ARG   7  -1.314   7.843   7.332
   50    HA   ARG   7           HA       ARG   7  -1.885  10.304   8.587
   51    HB3  ARG   7           2HB      ARG   7  -2.560  10.912   6.122
   52    HG3  ARG   7           2HG      ARG   7   0.121  10.313   7.222
   53    HD3  ARG   7           2HD      ARG   7   0.027  11.376   4.458
   54    HE   ARG   7           HE       ARG   7   2.037   9.479   5.271
   55   HH11  ARG   7          1HH1      ARG   7   1.061  12.821   5.261
   56   HH12  ARG   7          2HH1      ARG   7   2.671  13.428   5.453
   57   HH21  ARG   7          1HH2      ARG   7   4.164  10.267   5.524
   58   HH22  ARG   7          2HH2      ARG   7   4.436  11.974   5.602
   59    H    ARG   8           H        ARG   8  -3.885   7.689   7.650
   60    HA   ARG   8           HA       ARG   8  -6.302   9.333   7.631
   61    HB3  ARG   8           2HB      ARG   8  -7.304   6.916   7.242
   62    HG3  ARG   8           2HG      ARG   8  -6.182   8.876   5.424
   63    HD3  ARG   8           2HD      ARG   8  -6.582   6.105   4.326
   64    HE   ARG   8           HE       ARG   8  -6.104   8.638   3.096
   65   HH11  ARG   8          1HH1      ARG   8  -5.504   5.220   2.831
   66   HH12  ARG   8          2HH1      ARG   8  -5.299   5.257   1.110
   67   HH21  ARG   8          1HH2      ARG   8  -5.838   8.700   0.831
   68   HH22  ARG   8          2HH2      ARG   8  -5.489   7.237  -0.025
   69    H    GLY   9           H        GLY   9  -4.679   6.861   9.529
   70    HA2  GLY   9           2HA      GLY   9  -5.070   7.125  11.981
   71    HA3  GLY   9           3HA      GLY   9  -6.783   7.164  11.584
   72    H    GLU  10           H        GLU  10  -4.950   5.010   9.687
   73    HA   GLU  10           HA       GLU  10  -5.851   2.753  11.355
   74    HB3  GLU  10           2HB      GLU  10  -5.767   1.556   9.005
   75    HG3  GLU  10           2HG      GLU  10  -8.062   3.437   9.402
   76    H    GLU  11           H        GLU  11  -3.247   4.258   9.702
   77    HA   GLU  11           HA       GLU  11  -1.002   3.840   9.760
   78    HB3  GLU  11           2HB      GLU  11  -1.389   1.259  11.216
   79    HG3  GLU  11           2HG      GLU  11   0.586   3.515  11.416
   80    H    ARG  12           H        ARG  12  -2.579   0.640   9.631
   81    HA   ARG  12           HA       ARG  12  -1.237   0.198   7.044
   82    HB3  ARG  12           2HB      ARG  12  -1.546  -2.319   7.860
   83    HG3  ARG  12           2HG      ARG  12   0.617  -0.866   7.447
   84    HD3  ARG  12           2HD      ARG  12   0.319  -1.012  10.410
   85    HE   ARG  12           HE       ARG  12   2.776  -1.664   9.057
   86   HH11  ARG  12          1HH1      ARG  12   1.341  -0.264  11.902
   87   HH12  ARG  12          2HH1      ARG  12   2.733  -0.537  12.897
   88   HH21  ARG  12          1HH2      ARG  12   4.615  -2.028  10.356
   89   HH22  ARG  12          2HH2      ARG  12   4.595  -1.540  12.017
   90    H    LYS  13           H        LYS  13  -2.352  -1.175   5.540
   91    HA   LYS  13           HA       LYS  13  -5.080  -0.585   5.274
   92    HB3  LYS  13           2HB      LYS  13  -3.820  -2.960   3.939
   93    HG3  LYS  13           2HG      LYS  13  -5.771  -0.847   3.069
   94    HD3  LYS  13           2HD      LYS  13  -4.707  -3.052   1.326
   95    HE3  LYS  13           2HE      LYS  13  -5.502  -1.270  -0.396
   96    HZ1  LYS  13           3HZ      LYS  13  -7.092  -2.759  -0.699
   97    HZ2  LYS  13           1HZ      LYS  13  -7.934  -2.212   0.663
   98    HZ3  LYS  13           2HZ      LYS  13  -6.768  -3.428   0.820
   99    H    ALA  14           H        ALA  14  -6.783  -1.400   6.283
  100    HA   ALA  14           HA       ALA  14  -6.776  -4.225   7.064
  101    HB1  ALA  14           1HB      ALA  14  -6.524  -2.075   8.892
  102    HB2  ALA  14           2HB      ALA  14  -8.130  -2.776   9.100
  103    HB3  ALA  14           3HB      ALA  14  -6.698  -3.797   9.238
  104    HA   PRO  15           HA       PRO  15 -10.910  -4.322   5.599
  105    HB3  PRO  15           2HB      PRO  15 -10.946  -6.556   6.132
  106    HG3  PRO  15           2HG      PRO  15  -9.915  -7.346   8.061
  107    HD3  PRO  15           2HD      PRO  15  -8.198  -6.086   7.180
  Start of MODEL   20
    1    H1   MET   1           H        MET   1   5.870   0.842   2.456
    2    HA   MET   1           HA       MET   1   3.196  -0.278   2.161
    3    HB3  MET   1           2HB      MET   1   4.301  -2.193   3.505
    4    HG3  MET   1           2HG      MET   1   5.359  -1.494   0.777
    5    HE1  MET   1           3HE      MET   1   7.577  -4.214  -0.075
    6    HE2  MET   1           1HE      MET   1   6.001  -4.039  -0.849
    7    HE3  MET   1           2HE      MET   1   6.899  -2.607  -0.342
    8    H    TRP   2           H        TRP   2   5.458   0.394   4.838
    9    HA   TRP   2           HA       TRP   2   3.302   0.223   6.766
   10    HB3  TRP   2           2HB      TRP   2   5.054   0.613   8.440
   11    HD1  TRP   2           HD       TRP   2   3.752  -1.996   6.962
   12    HE1  TRP   2           1HE      TRP   2   5.095  -4.191   7.005
   13    HE3  TRP   2           3HE      TRP   2   8.400  -0.085   7.898
   14    HZ2  TRP   2           2HZ      TRP   2   7.771  -5.005   7.386
   15    HZ3  TRP   2           3HZ      TRP   2  10.298  -1.639   8.088
   16    HH2  TRP   2           HH       TRP   2   9.988  -4.048   7.838
   17    H    GLN   3           H        GLN   3   2.604   1.916   8.103
   18    HA   GLN   3           HA       GLN   3   1.905   4.033   8.555
   19    HB3  GLN   3           2HB      GLN   3   3.569   5.815   8.471
   20    HG3  GLN   3           2HG      GLN   3   5.126   3.365   9.200
   21   HE21  GLN   3          1HE2      GLN   3   6.553   5.393   8.530
   22   HE22  GLN   3          2HE2      GLN   3   7.064   6.349   9.876
   23    H    ARG   4           H        ARG   4   1.223   2.899   6.012
   24    HA   ARG   4           HA       ARG   4   1.371   5.099   4.115
   25    HB3  ARG   4           2HB      ARG   4  -0.246   3.253   2.934
   26    HG3  ARG   4           2HG      ARG   4   2.633   2.587   2.853
   27    HD3  ARG   4           2HD      ARG   4   0.404   3.038   0.897
   28    HE   ARG   4           HE       ARG   4   2.924   3.778   0.234
   29   HH11  ARG   4          1HH1      ARG   4   0.865   1.137  -0.713
   30   HH12  ARG   4          2HH1      ARG   4   1.547   1.003  -2.300
   31   HH21  ARG   4          1HH2      ARG   4   3.831   3.613  -1.852
   32   HH22  ARG   4          2HH2      ARG   4   3.234   2.411  -2.947
   33    H    ARG   5           H        ARG   5  -0.934   3.542   6.236
   34    HA   ARG   5           HA       ARG   5  -3.091   5.248   5.232
   35    HB3  ARG   5           2HB      ARG   5  -4.327   3.786   7.094
   36    HG3  ARG   5           2HG      ARG   5  -3.622   2.284   4.620
   37    HD3  ARG   5           2HD      ARG   5  -5.477   1.886   6.542
   38    HE   ARG   5           HE       ARG   5  -7.110   3.460   6.176
   39   HH11  ARG   5          1HH1      ARG   5  -6.075   2.119   3.134
   40   HH12  ARG   5          2HH1      ARG   5  -7.348   2.863   2.224
   41   HH21  ARG   5          1HH2      ARG   5  -8.792   4.443   4.990
   42   HH22  ARG   5          2HH2      ARG   5  -8.892   4.185   3.281
   43    H    GLN   6           H        GLN   6  -0.716   5.319   7.545
   44    HA   GLN   6           HA       GLN   6  -1.971   6.266   9.843
   45    HB3  GLN   6           2HB      GLN   6   0.493   7.669   9.471
   46    HG3  GLN   6           2HG      GLN   6   0.095   5.107  10.985
   47   HE21  GLN   6          1HE2      GLN   6   2.094   4.488  11.423
   48   HE22  GLN   6          2HE2      GLN   6   3.361   5.506  12.007
   49    H    ARG   7           H        ARG   7  -1.372   7.820   6.805
   50    HA   ARG   7           HA       ARG   7  -1.733  10.500   7.766
   51    HB3  ARG   7           2HB      ARG   7  -2.096  10.852   5.180
   52    HG3  ARG   7           2HG      ARG   7   0.376  10.335   6.696
   53    HD3  ARG   7           2HD      ARG   7   0.931  10.968   3.909
   54    HE   ARG   7           HE       ARG   7   2.227   8.732   5.187
   55   HH11  ARG   7          1HH1      ARG   7   2.113  12.196   4.855
   56   HH12  ARG   7          2HH1      ARG   7   3.755  12.429   5.353
   57   HH21  ARG   7          1HH2      ARG   7   4.390   9.027   5.846
   58   HH22  ARG   7          2HH2      ARG   7   5.051  10.625   5.917
   59    H    ARG   8           H        ARG   8  -3.806   7.924   6.895
   60    HA   ARG   8           HA       ARG   8  -6.076   9.695   6.400
   61    HB3  ARG   8           2HB      ARG   8  -7.138   7.213   6.272
   62    HG3  ARG   8           2HG      ARG   8  -6.063   9.064   4.327
   63    HD3  ARG   8           2HD      ARG   8  -6.407   6.285   3.287
   64    HE   ARG   8           HE       ARG   8  -5.911   8.674   2.036
   65   HH11  ARG   8          1HH1      ARG   8  -4.306   5.593   2.268
   66   HH12  ARG   8          2HH1      ARG   8  -3.580   5.706   0.698
   67   HH21  ARG   8          1HH2      ARG   8  -4.962   8.834  -0.032
   68   HH22  ARG   8          2HH2      ARG   8  -3.954   7.550  -0.609
   69    H    GLY   9           H        GLY   9  -4.857   7.396   8.760
   70    HA2  GLY   9           2HA      GLY   9  -5.492   7.980  11.098
   71    HA3  GLY   9           3HA      GLY   9  -7.142   8.086  10.502
   72    H    GLU  10           H        GLU  10  -5.303   5.593   9.092
   73    HA   GLU  10           HA       GLU  10  -6.533   3.628  10.912
   74    HB3  GLU  10           2HB      GLU  10  -6.509   2.113   8.841
   75    HG3  GLU  10           2HG      GLU  10  -8.328   4.503   8.673
   76    H    GLU  11           H        GLU  11  -3.672   4.875   9.719
   77    HA   GLU  11           HA       GLU  11  -1.496   4.295  10.096
   78    HB3  GLU  11           2HB      GLU  11  -0.938   2.633  11.666
   79    HG3  GLU  11           2HG      GLU  11  -2.310   2.967  13.532
   80    H    ARG  12           H        ARG  12  -3.237   1.235   9.502
   81    HA   ARG  12           HA       ARG  12  -1.821   0.955   6.964
   82    HB3  ARG  12           2HB      ARG  12  -1.446  -1.525   7.640
   83    HG3  ARG  12           2HG      ARG  12   0.292   0.451   7.477
   84    HD3  ARG  12           2HD      ARG  12  -0.166   0.074  10.365
   85    HE   ARG  12           HE       ARG  12   2.554   0.765   9.980
   86   HH11  ARG  12          1HH1      ARG  12   0.409  -1.973  10.139
   87   HH12  ARG  12          2HH1      ARG  12   1.637  -3.068  10.684
   88   HH21  ARG  12          1HH2      ARG  12   4.178  -0.667  10.697
   89   HH22  ARG  12          2HH2      ARG  12   3.779  -2.324  11.001
   90    H    LYS  13           H        LYS  13  -2.780  -0.595   5.531
   91    HA   LYS  13           HA       LYS  13  -5.580  -0.546   5.508
   92    HB3  LYS  13           2HB      LYS  13  -4.276  -0.801   3.467
   93    HG3  LYS  13           2HG      LYS  13  -3.761  -3.677   3.993
   94    HD3  LYS  13           2HD      LYS  13  -2.732  -1.510   2.222
   95    HE3  LYS  13           2HE      LYS  13  -0.755  -2.488   3.404
   96    HZ1  LYS  13           3HZ      LYS  13  -1.711  -4.972   2.094
   97    HZ2  LYS  13           1HZ      LYS  13  -1.459  -4.720   3.748
   98    HZ3  LYS  13           2HZ      LYS  13  -0.141  -4.765   2.688
   99    H    ALA  14           H        ALA  14  -7.034  -1.708   6.572
  100    HA   ALA  14           HA       ALA  14  -6.451  -4.478   7.286
  101    HB1  ALA  14           1HB      ALA  14  -6.642  -2.268   9.199
  102    HB2  ALA  14           2HB      ALA  14  -7.654  -3.659   9.585
  103    HB3  ALA  14           3HB      ALA  14  -5.916  -3.865   9.375
  104    HA   PRO  15           HA       PRO  15 -10.674  -5.202   6.337
  105    HB3  PRO  15           2HB      PRO  15 -10.291  -7.427   6.768
  106    HG3  PRO  15           2HG      PRO  15  -8.909  -8.089   8.517
  107    HD3  PRO  15           2HD      PRO  15  -7.538  -6.547   7.491