*HEADER    HORMONE                                 12-NOV-10   2L63              
*TITLE     NMR SOLUTION STRUCTURE OF GLP-2 IN 2,2,2 TRIFLUROETHANOL              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GLUCAGON-LIKE PEPTIDE 2;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: GLP-2;                                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    GLP-2, HORMONE, GPCR, DOCKING, SMALL BOWEL SYNDROME                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    K.C.VENNETI, C.M.HEWAGE                                               
*REVDAT   1   23-FEB-11 2L63    0                                                


 22 PHE  QB     23 ILE  H       3.40            #peak     1
 16 ASN  HB2    17 LEU  H       2.40            #peak     2
 21 ASP  H      21 ASP  HB2     2.40            #peak     3
 16 ASN  H      16 ASN  HB2     2.40            #peak     4
 16 ASN  H      16 ASN  HB3     3.02            #peak     5
 10 MET  H      10 MET  QB      3.28            #peak     6
 13 ILE  H      13 ILE  HB      2.83            #peak     7
 23 ILE  H      23 ILE  HB      3.05            #peak     9
 20 ARG  H      20 ARG  QB      3.28            #peak    12
 31 ILE  H      31 ILE  HB      2.86            #peak    13
 26 LEU  H      26 LEU  HB2     2.40            #peak    14
 26 LEU  H      26 LEU  HB3     3.36            #peak    15
  1 HIS  HA      2 ALA  H       2.40            #peak    35
  2 ALA  H       2 ALA  HA      3.27            #peak    36
  3 ASP  H       3 ASP  HA      4.48            #peak    38
  3 ASP  HA      4 GLY  H       2.99            #peak    40
  5 SER  HB3     6 PHE  H       3.58            #peak    41
  7 SER  H       7 SER  HA      3.48            #peak    42
  9 GLU  HA     10 MET  H       3.24            #peak    43
  7 SER  HA      8 ASP  H       4.20            #peak    44
  7 SER  HA     10 MET  H       3.58            #peak    45
 32 THR  H      32 THR  HB      3.27            #peak    46
 32 THR  H      32 THR  HA      3.27            #peak    47
 31 ILE  HA     32 THR  H       3.42            #peak    48
 30 LYS  H      30 LYS  HA      3.73            #peak    49
 31 ILE  H      31 ILE  HA      3.27            #peak    50
 30 LYS  HA     31 ILE  H       3.73            #peak    51
 20 ARG  H      20 ARG  HA      3.33            #peak    52
 29 THR  H      29 THR  HA      3.24            #peak    53
 29 THR  HA     30 LYS  H       4.07            #peak    54
 28 GLN  HA     29 THR  H       2.83            #peak    55
 29 THR  HB     30 LYS  H       2.40            #peak    56
 29 THR  H      29 THR  HB      2.40            #peak    57
 28 GLN  H      28 GLN  HA      3.39            #peak    58
 28 GLN  HA     31 ILE  H       3.05            #peak    59
 28 GLN  HA     32 THR  H       4.91            #peak    60
 28 GLN  HA     30 LYS  H       4.01            #peak    61
 29 THR  HA     32 THR  H       4.35            #peak    62
 27 ILE  H      27 ILE  HA      3.14            #peak    63
 27 ILE  HA     28 GLN  H       3.95            #peak    64
 27 ILE  HA     30 LYS  H       5.50            #peak    65
 26 LEU  HA     27 ILE  H       3.24            #peak    66
 26 LEU  HA     29 THR  H       4.51            #peak    67
 26 LEU  H      26 LEU  HA      3.98            #peak    69
 25 TRP  H      25 TRP  HB2     3.21            #peak    70
 25 TRP  H      25 TRP  HB3     2.40            #peak    71
 25 TRP  HB3    26 LEU  H       4.11            #peak    72
 24 ASN  HB2    25 TRP  H       3.92            #peak    73
 24 ASN  HB3    25 TRP  H       3.61            #peak    74
 24 ASN  H      24 ASN  HB2     2.40            #peak    75
 23 ILE  HA     24 ASN  H       4.01            #peak    76
 22 PHE  H      22 PHE  QB      3.28            #peak    77
 22 PHE  H      22 PHE  HA      2.96            #peak    78
 22 PHE  HA     23 ILE  H       4.38            #peak    79
 20 ARG  HA     23 ILE  H       3.64            #peak    80
 21 ASP  H      21 ASP  HB3     2.40            #peak    81
 21 ASP  HB3    22 PHE  H       2.40            #peak    82
 21 ASP  H      21 ASP  HA      3.27            #peak    83
 14 LEU  H      14 LEU  HA      4.11            #peak    84
 16 ASN  H      16 ASN  HA      3.30            #peak    85
 16 ASN  HA     17 LEU  H       3.98            #peak    86
 19 ALA  H      19 ALA  HA      2.90            #peak    87
 19 ALA  HA     20 ARG  H       3.61            #peak    88
 19 ALA  HA     21 ASP  H       4.54            #peak    89
 20 ARG  HA     24 ASN  H       3.55            #peak    90
 14 LEU  HA     16 ASN  H       3.70            #peak    91
 17 LEU  H      17 LEU  HA      2.86            #peak    92
 16 ASN  HA     19 ALA  H       3.79            #peak    93
 17 LEU  HA     20 ARG  H       5.50            #peak    94
 11 ASN  QB     12 THR  H       5.27            #peak    95
 11 ASN  H      11 ASN  QB      3.28            #peak    96
  2 ALA  HA      3 ASP  H       2.40            #peak    97
  6 PHE  HA      7 SER  H       4.63            #peak    98
 13 ILE  HA     14 LEU  H       3.55            #peak    99
 12 THR  H      12 THR  HB      3.33            #peak   100
 21 ASP  HA     25 TRP  H       5.50            #peak   101
 13 ILE  H      13 ILE  HA      3.24            #peak   102
 12 THR  H      12 THR  HA      3.45            #peak   103
  9 GLU  HA     12 THR  H       3.39            #peak   104
  8 ASP  H       8 ASP  HA      3.79            #peak   105
  5 SER  HA      6 PHE  H       3.48            #peak   106
 15 ASP  H      15 ASP  HA      3.48            #peak   107
 15 ASP  HA     16 ASN  H       4.32            #peak   108
 15 ASP  HA     19 ALA  H       3.79            #peak   109
 12 THR  HA     15 ASP  H       3.76            #peak   110
 18 ALA  H      18 ALA  HA      2.68            #peak   111
 18 ALA  HA     20 ARG  H       3.67            #peak   112
 18 ALA  HA     19 ALA  H       3.76            #peak   113
 15 ASP  H      15 ASP  HB3     2.40            #peak   114
 15 ASP  H      15 ASP  HB2     2.90            #peak   115
 15 ASP  HB2    16 ASN  H       3.30            #peak   116
  9 GLU  H       9 GLU  QB      3.28            #peak   120
  9 GLU  QB     10 MET  H       4.95            #peak   121
 27 ILE  HB     28 GLN  H       4.04            #peak   126
 14 LEU  H      14 LEU  QB      3.28            #peak   132
 31 ILE  HB     32 THR  H       3.79            #peak   134
 17 LEU  H      17 LEU  HB3     2.74            #peak   147
 26 LEU  HB2    27 ILE  H       3.05            #peak   148
 26 LEU  HB3    27 ILE  H       3.89            #peak   149
 23 ILE  HB     24 ASN  H       4.88            #peak   151
 27 ILE  H      27 ILE  HB      3.48            #peak   152
 30 LYS  H      30 LYS  QB      3.28            #peak   154
  6 PHE  H       6 PHE  QB      3.28            #peak   160
  6 PHE  QB      7 SER  H       3.53            #peak   161
 24 ASN  H      24 ASN  HA      4.11            #peak   202
 24 ASN  HA     25 TRP  H       4.29            #peak   203
 12 THR  HA     13 ILE  H       4.57            #peak   204
 11 ASN  H      11 ASN  HA      3.08            #peak   205
 24 ASN  HA     26 LEU  H       5.50            #peak   206
 25 TRP  H      26 LEU  H       3.27            #peak   222
 26 LEU  H      27 ILE  H       3.45            #peak   223
 22 PHE  H      23 ILE  H       3.39            #peak   224
 23 ILE  H      24 ASN  H       3.14            #peak   225
 21 ASP  H      22 PHE  H       5.07            #peak   226
 16 ASN  H      17 LEU  H       2.90            #peak   227
 18 ALA  H      19 ALA  H       3.36            #peak   228
 20 ARG  H      21 ASP  H       2.40            #peak   229
 27 ILE  H      28 GLN  H       2.40            #peak   230
 13 ILE  H      14 LEU  H       4.32            #peak   231
 15 ASP  H      16 ASN  H       3.21            #peak   232
  6 PHE  H       7 SER  H       2.40            #peak   233
 11 ASN  H      12 THR  H       2.49            #peak   234
 12 THR  H      13 ILE  H       3.30            #peak   235
 29 THR  H      30 LYS  H       3.70            #peak   236
 19 ALA  H      20 ARG  H       4.01            #peak   237
 32 THR  H      33 ASP  H       2.40            #peak   238
 31 ILE  H      32 THR  H       2.40            #peak   239
 24 ASN  HA     25 TRP  HB3     5.25            #peak   246
  7 SER  HA      7 SER  HB2     2.55            #peak   249
 11 ASN  HA     12 THR  HB      5.38            #peak   250
  9 GLU  HA      9 GLU  QB      3.28            #peak   251
 20 ARG  HA     23 ILE  HB      2.71            #peak   253
 28 GLN  HA     28 GLN  QB      3.28            #peak   254
 17 LEU  HB2    18 ALA  HA      3.45            #peak   256
 10 MET  HA     10 MET  QB      3.99            #peak   257
 26 LEU  HA     26 LEU  HB2     3.24            #peak   286
 26 LEU  HA     26 LEU  HB3     2.40            #peak   287
 25 TRP  HB3    27 ILE  HA      5.50            #peak   294
  3 ASP  H       3 ASP  QB      5.76            #peak   332
  4 GLY  QA      5 SER  H       3.28            #peak   333
  4 GLY  H       4 GLY  QA      3.40            #peak   334
  4 GLY  QA      6 PHE  H       4.74            #peak   335
  5 SER  H       5 SER  HA      3.48            #peak   336
  5 SER  HB2     6 PHE  H       3.27            #peak   337
  6 PHE  H       6 PHE  HA      3.76            #peak   338
 21 ASP  HA     22 PHE  H       3.76            #peak   339
  7 SER  HA     10 MET  QB      3.81            #peak   341
  7 SER  HB2     8 ASP  H       2.40            #peak   343
  7 SER  HB3     8 ASP  H       3.08            #peak   344
  5 SER  H       5 SER  HB2     2.40            #peak   345
  7 SER  H       7 SER  HB3     5.50            #peak   346
  5 SER  H       5 SER  HB3     2.40            #peak   347
  7 SER  H       7 SER  HB2     2.68            #peak   348
  7 SER  HA      7 SER  HB3     3.33            #peak   349
  8 ASP  H       8 ASP  QB      3.28            #peak   351
  8 ASP  QB      9 GLU  HA      4.43            #peak   352
 10 MET  HA     11 ASN  H       3.67            #peak   353
  9 GLU  H       9 GLU  HA      3.30            #peak   354
 10 MET  H      10 MET  HA      2.59            #peak   355
 13 ILE  HB     14 LEU  H       3.21            #peak   356
 17 LEU  HB2    21 ASP  H       4.01            #peak   357
 17 LEU  H      17 LEU  HB2     5.04            #peak   358
 33 ASP  H      33 ASP  QB      3.56            #peak   360
 32 THR  HB     33 ASP  H       2.40            #peak   361
 28 GLN  QB     29 THR  H       4.86            #peak   365
 28 GLN  H      28 GLN  QB      3.28            #peak   366
 27 ILE  HA     27 ILE  HB      3.33            #peak   367
 14 LEU  HA     17 LEU  H       3.11            #peak   373
 23 ILE  H      23 ILE  HA      3.08            #peak   374
 23 ILE  HA     26 LEU  H       4.51            #peak   375
 25 TRP  HB2    26 LEU  H       3.70            #peak   376
 18 ALA  HA     21 ASP  HB2     2.40            #peak   377
 18 ALA  HA     21 ASP  HB3     2.83            #peak   378
  6 PHE  HA      9 GLU  H       3.24            #peak   379
 18 ALA  HA     22 PHE  H       4.29            #peak   380
 20 ARG  HA     21 ASP  H       4.79            #peak   381
 23 ILE  HA     26 LEU  HB3     4.04            #peak   384
 16 ASN  HB3    17 LEU  H       3.58            #peak   390
 33 ASP  H      33 ASP  HA      2.55            #peak   395
 14 LEU  HA     16 ASN  HB2     3.92            #peak   398
 19 ALA  HA     22 PHE  QB      4.49            #peak   399
 23 ILE  HA     23 ILE  HB      3.05            #peak   400
  5 SER  H       6 PHE  H       3.89            #peak   401
 13 ILE  HB     14 LEU  HA      4.32            #peak   403
 15 ASP  HB3    16 ASN  H       4.07            #peak   404
 23 ILE  HA     27 ILE  H       5.50            #peak   407
 32 THR  HA     33 ASP  H       3.48            #peak   411
 11 ASN  HA     12 THR  H       3.45            #peak   412
 23 ILE  HA     26 LEU  HB2     3.11            #peak   415
 25 TRP  HA     27 ILE  H       3.58            #peak   416
 22 PHE  HA     25 TRP  H       3.36            #peak   417
 22 PHE  HA     26 LEU  H       4.85            #peak   418
 25 TRP  H      25 TRP  HA      3.33            #peak   421
 25 TRP  HA     26 LEU  H       4.26            #peak   422
 25 TRP  HA     28 GLN  H       3.21            #peak   423
  5 SER  HA      8 ASP  H       4.72            #peak   424
  8 ASP  HA     11 ASN  H       4.35            #peak   425
 11 ASN  HA     14 LEU  H       5.50            #peak   426
 15 ASP  HA     18 ALA  H       5.50            #peak   427
 21 ASP  HA     24 ASN  H       4.48            #peak   428
 23 ILE  HA     25 TRP  H       5.13            #peak   429
 10 MET  HA     12 THR  H       4.14            #peak   430
 23 ILE  H      23 ILE  HG12    2.40            #peak     8
 27 ILE  H      27 ILE  HG12    4.23            #peak    10
 20 ARG  H      20 ARG  QG      3.28            #peak    11
 31 ILE  H      31 ILE  HG12    5.50            #peak    17
 23 ILE  H      23 ILE  HG13    4.38            #peak    18
 30 LYS  H      30 LYS  QG      3.41            #peak    19
 27 ILE  H      27 ILE  HG13    2.46            #peak    22
 30 LYS  H      30 LYS  QE      4.12            #peak    68
 28 GLN  H      28 GLN  HG2     2.40            #peak   117
 28 GLN  H      28 GLN  HG3     2.40            #peak   118
  9 GLU  H       9 GLU  QG      3.28            #peak   119
  9 GLU  QG     10 MET  H       6.26            #peak   122
 17 LEU  H      17 LEU  HG      2.40            #peak   127
 13 ILE  H      13 ILE  QG1     4.80            #peak   129
 26 LEU  H      26 LEU  HG      2.52            #peak   138
 23 ILE  HG12   24 ASN  H       5.13            #peak   150
 30 LYS  H      30 LYS  QD      6.38            #peak   153
 16 ASN  HB3    16 ASN  HD21    2.40            #peak   155
 16 ASN  HB2    16 ASN  HD21    2.96            #peak   156
 24 ASN  HB3    24 ASN  HD21    3.42            #peak   157
 24 ASN  HB2    24 ASN  HD21    2.40            #peak   158
 11 ASN  QB     11 ASN  HD21    4.15            #peak   159
  6 PHE  QB      6 PHE  QD      7.39            #peak   162
 22 PHE  QB     22 PHE  QD      5.81            #peak   163
 22 PHE  QB     22 PHE  QE      5.41            #peak   164
 25 TRP  HB3    25 TRP  HD1     5.19            #peak   165
 25 TRP  HB2    25 TRP  HD1     4.26            #peak   166
 25 TRP  HB2    25 TRP  HE3     2.40            #peak   167
 25 TRP  HB3    25 TRP  HE3     3.67            #peak   168
 20 ARG  H      20 ARG  HD3     2.62            #peak   169
 20 ARG  H      20 ARG  HD2     5.41            #peak   170
 22 PHE  HA     22 PHE  QD      7.63            #peak   171
 22 PHE  QE     23 ILE  HA      4.81            #peak   172
 22 PHE  QD     23 ILE  HA      4.81            #peak   173
 25 TRP  HD1    26 LEU  HA      5.50            #peak   174
 25 TRP  HE3    26 LEU  HA      5.50            #peak   175
 16 ASN  HB2    16 ASN  HD22    5.19            #peak   176
 11 ASN  QB     11 ASN  HD22    3.87            #peak   177
 24 ASN  HB3    24 ASN  HD22    5.50            #peak   178
 24 ASN  HB2    24 ASN  HD22    2.83            #peak   179
 22 PHE  QD     26 LEU  HB2     6.08            #peak   180
 25 TRP  HE3    26 LEU  HB2     5.50            #peak   181
 22 PHE  QD     26 LEU  HB3     7.32            #peak   182
 22 PHE  QD     26 LEU  HG      6.39            #peak   183
 25 TRP  HE3    26 LEU  HG      5.50            #peak   184
 22 PHE  QD     23 ILE  HG12    6.23            #peak   185
 22 PHE  QD     23 ILE  HB      7.63            #peak   186
 22 PHE  QE     23 ILE  HG12    4.53            #peak   187
 25 TRP  HD1    28 GLN  QB      4.86            #peak   188
 22 PHE  QE     23 ILE  HG13    6.11            #peak   190
 14 LEU  HA     16 ASN  HD21    5.50            #peak   199
 15 ASP  HA     16 ASN  HD21    4.17            #peak   200
 16 ASN  HA     16 ASN  HD21    4.69            #peak   201
 22 PHE  QE     24 ASN  HA      7.38            #peak   207
 22 PHE  QE     25 TRP  HB2     7.63            #peak   208
 22 PHE  QD     26 LEU  HA      5.77            #peak   209
 25 TRP  HD1    25 TRP  HE1     2.40            #peak   210
 25 TRP  HZ2    25 TRP  HE1     2.40            #peak   211
 22 PHE  QE     23 ILE  H       5.62            #peak   212
 25 TRP  HE3    26 LEU  H       5.50            #peak   213
 22 PHE  H      22 PHE  QE      7.17            #peak   214
 25 TRP  H      25 TRP  HE3     5.50            #peak   215
 25 TRP  H      25 TRP  HD1     5.50            #peak   216
 16 ASN  H      16 ASN  HD22    3.45            #peak   217
 24 ASN  HD22   24 ASN  HD21    2.40            #peak   218
 11 ASN  HD22   11 ASN  HD21    2.40            #peak   219
 16 ASN  HD22   16 ASN  HD21    2.40            #peak   220
 25 TRP  HD1    25 TRP  HE3     2.40            #peak   221
 25 TRP  HZ3    25 TRP  HE3     2.40            #peak   240
 25 TRP  HZ3    25 TRP  HZ2     2.40            #peak   241
 25 TRP  HD1    25 TRP  HZ2     2.71            #peak   242
 22 PHE  QD     25 TRP  HZ3     4.53            #peak   243
 22 PHE  QE     25 TRP  HZ3     5.00            #peak   244
 25 TRP  HZ3    25 TRP  HD1     2.40            #peak   245
 12 THR  HB     15 ASP  HB2     4.66            #peak   247
 20 ARG  HA     20 ARG  HD3     3.08            #peak   248
  9 GLU  HA      9 GLU  QG      3.28            #peak   252
 30 LYS  QD     31 ILE  HA      3.38            #peak   255
 17 LEU  HG     18 ALA  HA      5.50            #peak   260
 20 ARG  HA     20 ARG  QG      4.83            #peak   261
 31 ILE  HA     31 ILE  HG13    2.96            #peak   263
 29 THR  HA     30 LYS  QE      4.43            #peak   265
 29 THR  HB     30 LYS  QE      3.81            #peak   266
 23 ILE  HA     23 ILE  HG12    2.40            #peak   267
 27 ILE  HA     27 ILE  HG12    4.60            #peak   268
 20 ARG  QG     20 ARG  HD2     3.28            #peak   269
 22 PHE  QB     26 LEU  HB3     6.38            #peak   289
 20 ARG  QG     20 ARG  HD3     3.28            #peak   290
 20 ARG  QB     20 ARG  HD3     3.28            #peak   291
 20 ARG  HD3    23 ILE  HB      3.61            #peak   292
 25 TRP  HB3    25 TRP  HB2     2.40            #peak   293
 27 ILE  HG13   27 ILE  HG12    2.40            #peak   302
 27 ILE  HB     27 ILE  HG13    4.42            #peak   303
 13 ILE  HB     13 ILE  QG1     4.49            #peak   304
 31 ILE  HB     31 ILE  HG13    3.17            #peak   305
 30 LYS  QG     31 ILE  HB      6.38            #peak   306
 20 ARG  QB     23 ILE  HG13    6.38            #peak   307
 14 LEU  QB     14 LEU  HG      3.28            #peak   308
 17 LEU  HB3    17 LEU  HG      2.40            #peak   309
 31 ILE  HG13   31 ILE  HG12    2.40            #peak   310
 20 ARG  QG     23 ILE  HB      5.14            #peak   311
 17 LEU  HB3    17 LEU  HB2     2.40            #peak   312
 20 ARG  QB     20 ARG  QG      4.16            #peak   313
 23 ILE  HG13   23 ILE  HG12    2.40            #peak   329
 22 PHE  QE     22 PHE  QD      6.66            #peak   330
 25 TRP  HZ3    26 LEU  H       5.50            #peak   331
  6 PHE  HA      6 PHE  QE      6.45            #peak   340
  6 PHE  QB      6 PHE  QE      6.19            #peak   342
 10 MET  H      10 MET  QG      5.17            #peak   350
 16 ASN  HB3    16 ASN  HD22    5.50            #peak   359
 31 ILE  H      31 ILE  HG13    3.39            #peak   362
 20 ARG  HD2    23 ILE  HB      4.01            #peak   368
 14 LEU  H      14 LEU  HG      2.40            #peak   372
 31 ILE  HG12   32 THR  H       2.80            #peak   382
 26 LEU  HA     26 LEU  HG      3.95            #peak   383
 23 ILE  HA     23 ILE  HG13    4.42            #peak   385
 23 ILE  HA     26 LEU  HG      5.10            #peak   386
 20 ARG  QG     21 ASP  HA      5.55            #peak   387
 22 PHE  HA     22 PHE  QE      5.59            #peak   388
 24 ASN  HA     26 LEU  HG      5.50            #peak   389
 16 ASN  H      16 ASN  HD21    2.40            #peak   391
 12 THR  HB     15 ASP  HB3     4.07            #peak   396
 13 ILE  QG1    14 LEU  HA      6.10            #peak   397
 27 ILE  HA     27 ILE  HG13    4.32            #peak   402
 22 PHE  QD     24 ASN  HA      7.63            #peak   405
 24 ASN  HA     25 TRP  HE3     5.50            #peak   406
 25 TRP  HZ3    26 LEU  HA      5.50            #peak   408
 23 ILE  HB     25 TRP  HE3     5.50            #peak   413
 24 ASN  HA     25 TRP  HD1     5.50            #peak   414
 22 PHE  HA     25 TRP  HE3     5.50            #peak   419
 22 PHE  HA     25 TRP  HD1     5.07            #peak   420
 19 ALA  H      19 ALA  QB      3.42            #peak    16
 32 THR  H      32 THR  QG2     5.65            #peak    20
 12 THR  H      12 THR  QG2     4.10            #peak    21
 23 ILE  H      23 ILE  QG2     3.91            #peak    23
 17 LEU  H      17 LEU  QD2     3.42            #peak    24
 17 LEU  H      17 LEU  QD1     3.42            #peak    25
 13 ILE  QD1    14 LEU  H       4.51            #peak    26
 23 ILE  QD1    27 ILE  H       5.56            #peak    27
 23 ILE  QD1    24 ASN  H       4.16            #peak    28
 26 LEU  QD1    29 THR  H       6.30            #peak    29
 31 ILE  H      31 ILE  QD1     4.57            #peak    30
 27 ILE  QD1    28 GLN  H       3.42            #peak    31
 13 ILE  H      13 ILE  QG2     3.45            #peak    32
 13 ILE  H      13 ILE  QD1     3.42            #peak    33
 13 ILE  QD1    16 ASN  H       5.68            #peak    34
  2 ALA  H       2 ALA  QB      4.97            #peak    37
  2 ALA  QB      3 ASP  H       6.52            #peak    39
 10 MET  H      10 MET  QE      3.42            #peak   123
 23 ILE  H      23 ILE  QD1     3.95            #peak   124
 27 ILE  H      27 ILE  QD1     3.64            #peak   125
 12 THR  QG2    13 ILE  H       3.82            #peak   128
 13 ILE  QG2    14 LEU  H       5.22            #peak   130
 12 THR  QG2    16 ASN  H       4.50            #peak   131
 31 ILE  H      31 ILE  QG2     3.42            #peak   133
 19 ALA  QB     20 ARG  H       3.48            #peak   135
 18 ALA  QB     19 ALA  H       3.42            #peak   136
 18 ALA  H      18 ALA  QB      3.42            #peak   137
 26 LEU  H      26 LEU  QD1     3.45            #peak   139
 26 LEU  H      26 LEU  QD2     3.79            #peak   140
 23 ILE  QD1    26 LEU  H       6.52            #peak   141
 27 ILE  QG2    28 GLN  H       3.98            #peak   142
 27 ILE  QD1    29 THR  H       4.44            #peak   143
 17 LEU  QD1    19 ALA  H       5.25            #peak   144
 13 ILE  QG2    16 ASN  H       6.15            #peak   145
 19 ALA  QB     21 ASP  H       3.79            #peak   146
 18 ALA  QB     22 PHE  QE      7.75            #peak   189
 25 TRP  HE3    26 LEU  QD1     6.09            #peak   191
 22 PHE  QD     26 LEU  QD1     8.34            #peak   192
 22 PHE  QE     26 LEU  QD2     8.65            #peak   193
 22 PHE  QE     26 LEU  QD1     8.65            #peak   194
 22 PHE  QE     23 ILE  QG2     6.02            #peak   195
 25 TRP  HD1    26 LEU  QD1     4.81            #peak   196
 12 THR  QG2    16 ASN  HD21    3.57            #peak   197
 12 THR  QG2    16 ASN  HD22    3.70            #peak   198
 19 ALA  QB     19 ALA  HA      3.42            #peak   258
 18 ALA  QB     18 ALA  HA      3.42            #peak   259
 12 THR  QG2    12 THR  HB      3.42            #peak   262
 32 THR  HA     32 THR  QG2     3.42            #peak   264
 23 ILE  HA     23 ILE  QD1     3.42            #peak   270
 20 ARG  HD2    23 ILE  QG2     5.28            #peak   271
 27 ILE  HA     27 ILE  QD1     5.00            #peak   272
 23 ILE  HA     23 ILE  QG2     3.42            #peak   273
 23 ILE  HA     26 LEU  QD2     3.42            #peak   274
 29 THR  HB     31 ILE  QG2     4.94            #peak   275
 27 ILE  HA     27 ILE  QG2     3.42            #peak   276
 27 ILE  QD1    32 THR  HB      6.52            #peak   277
 31 ILE  HA     31 ILE  QD1     3.42            #peak   278
 20 ARG  HA     23 ILE  QD1     5.09            #peak   279
 27 ILE  QD1    28 GLN  HA      4.47            #peak   280
 28 GLN  HA     31 ILE  QG2     4.47            #peak   281
 29 THR  HA     31 ILE  QG2     5.50            #peak   282
 14 LEU  HA     17 LEU  QD2     3.42            #peak   283
 26 LEU  HA     26 LEU  QD1     4.44            #peak   284
 26 LEU  HA     26 LEU  QD2     3.42            #peak   285
 19 ALA  QB     22 PHE  QB      5.41            #peak   288
 17 LEU  QD2    20 ARG  HD3     6.52            #peak   295
 31 ILE  QG2    33 ASP  QB      5.79            #peak   296
 24 ASN  HB2    26 LEU  QD1     6.52            #peak   297
 19 ALA  QB     21 ASP  HB3     6.52            #peak   298
 18 ALA  QB     21 ASP  HB3     3.42            #peak   299
 27 ILE  QD1    28 GLN  HG2     6.52            #peak   300
 10 MET  QG     13 ILE  QG2     7.40            #peak   301
 23 ILE  HB     23 ILE  QD1     3.42            #peak   314
 17 LEU  HB2    17 LEU  QD1     3.42            #peak   315
 31 ILE  QG2    31 ILE  HB      3.42            #peak   316
 13 ILE  QG2    14 LEU  QB      6.22            #peak   317
 27 ILE  QG2    27 ILE  HG12    3.42            #peak   318
 26 LEU  HB2    26 LEU  QD1     3.42            #peak   319
 26 LEU  HB2    26 LEU  QD2     3.42            #peak   320
 13 ILE  QG2    17 LEU  HG      3.42            #peak   321
 23 ILE  QD1    23 ILE  HG12    3.42            #peak   322
 13 ILE  QG2    14 LEU  HG      3.82            #peak   323
 31 ILE  QG2    31 ILE  HG12    3.42            #peak   324
 30 LYS  QG     31 ILE  QD1     4.30            #peak   325
 30 LYS  QG     31 ILE  QG2     4.30            #peak   326
 27 ILE  QD1    27 ILE  HG13    3.42            #peak   327
 27 ILE  QG2    27 ILE  HG13    3.42            #peak   328
 32 THR  QG2    33 ASP  H       3.42            #peak   363
 12 THR  QG2    14 LEU  HA      6.52            #peak   364
 11 ASN  H      13 ILE  QG2     6.08            #peak   369
 27 ILE  H      27 ILE  QG2     4.66            #peak   370
 10 MET  QE     13 ILE  QG2     4.81            #peak   371
 22 PHE  QD     23 ILE  QG2     8.49            #peak   392
 22 PHE  QD     23 ILE  QD1     5.55            #peak   393
 31 ILE  QD1    32 THR  H       6.52            #peak   394
 25 TRP  HZ3    26 LEU  QD2     3.70            #peak   409
 25 TRP  HZ3    26 LEU  QD1     3.88            #peak   410

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   HIS   1           H1       HIS   1   2.219 -10.730 -11.635
    2    HA   HIS   1           HA       HIS   1   0.246 -10.927 -10.167
    3    HB2  HIS   1           HB2      HIS   1   0.124 -12.765 -12.644
    4    HB3  HIS   1           HB3      HIS   1  -1.322 -12.222 -11.752
    5    HD1  HIS   1           HD1      HIS   1  -1.565  -9.538 -11.576
    6    HD2  HIS   1           HD2      HIS   1   0.940 -11.074 -14.582
    7    HE1  HIS   1           HE1      HIS   1  -1.289  -7.666 -13.255
    8    H    ALA   2           H        ALA   2  -1.316 -12.491  -9.109
    9    HA   ALA   2           HA       ALA   2  -0.041 -15.160  -8.509
   10    HB1  ALA   2           HB1      ALA   2   0.248 -13.567  -6.587
   11    HB2  ALA   2           HB2      ALA   2  -1.502 -13.216  -6.616
   12    HB3  ALA   2           HB3      ALA   2  -0.926 -14.852  -6.169
   13    H    ASP   3           H        ASP   3  -1.840 -16.741  -7.646
   14    HA   ASP   3           HA       ASP   3  -4.536 -16.019  -8.595
   15    HB2  ASP   3           HB2      ASP   3  -3.296 -16.656 -10.697
   16    HB3  ASP   3           HB3      ASP   3  -2.892 -18.230  -9.975
   17    H    GLY   4           H        GLY   4  -6.022 -17.102  -7.178
   18    HA2  GLY   4           HA2      GLY   4  -6.540 -19.460  -6.438
   19    HA3  GLY   4           HA3      GLY   4  -4.944 -19.471  -5.643
   20    H    SER   5           H        SER   5  -7.154 -19.841  -3.978
   21    HA   SER   5           HA       SER   5  -8.339 -17.380  -3.157
   22    HB2  SER   5           HB2      SER   5  -9.455 -19.468  -2.590
   23    HB3  SER   5           HB3      SER   5  -8.079 -20.018  -1.607
   24    HG   SER   5           HG       SER   5  -9.656 -17.708  -0.975
   25    H    PHE   6           H        PHE   6  -5.862 -19.309  -1.221
   26    HA   PHE   6           HA       PHE   6  -5.223 -16.819   0.212
   27    HB2  PHE   6           HB2      PHE   6  -3.678 -18.177   1.553
   28    HB3  PHE   6           HB3      PHE   6  -5.296 -18.899   1.498
   29    HD1  PHE   6           HD2      PHE   6  -1.830 -19.113   0.047
   30    HD2  PHE   6           HD1      PHE   6  -5.574 -21.159   0.617
   31    HE1  PHE   6           HE2      PHE   6  -0.852 -21.176  -0.894
   32    HE2  PHE   6           HE1      PHE   6  -4.581 -23.225  -0.296
   33    HZ   PHE   6           HZ       PHE   6  -2.222 -23.239  -1.068
   34    H    SER   7           H        SER   7  -3.815 -18.732  -2.553
   35    HA   SER   7           HA       SER   7  -1.228 -17.719  -2.415
   36    HB2  SER   7           HB2      SER   7  -2.963 -18.152  -4.897
   37    HB3  SER   7           HB3      SER   7  -1.206 -17.849  -4.974
   38    HG   SER   7           HG       SER   7  -0.976 -19.850  -3.688
   39    H    ASP   8           H        ASP   8  -4.243 -16.067  -3.746
   40    HA   ASP   8           HA       ASP   8  -2.857 -13.754  -4.643
   41    HB2  ASP   8           HB2      ASP   8  -5.720 -14.084  -3.574
   42    HB3  ASP   8           HB3      ASP   8  -5.059 -12.509  -4.084
   43    H    GLU   9           H        GLU   9  -3.985 -14.651  -1.290
   44    HA   GLU   9           HA       GLU   9  -3.241 -12.064  -0.282
   45    HB2  GLU   9           HB2      GLU   9  -3.639 -14.711   1.226
   46    HB3  GLU   9           HB3      GLU   9  -3.366 -13.145   2.021
   47    HG2  GLU   9           HG2      GLU   9  -5.419 -12.190   0.974
   48    HG3  GLU   9           HG3      GLU   9  -5.756 -13.743   0.166
   49    H    MET  10           H        MET  10  -1.022 -14.353  -1.553
   50    HA   MET  10           HA       MET  10   0.968 -14.247   0.456
   51    HB2  MET  10           HB2      MET  10   1.262 -14.209  -2.593
   52    HB3  MET  10           HB3      MET  10   2.629 -14.458  -1.489
   53    HG2  MET  10           HG2      MET  10   0.299 -16.365  -1.033
   54    HG3  MET  10           HG3      MET  10   1.166 -16.546  -2.580
   55    HE1  MET  10           HE1      MET  10   3.092 -17.342   1.559
   56    HE2  MET  10           HE2      MET  10   2.878 -15.627   1.092
   57    HE3  MET  10           HE3      MET  10   1.439 -16.689   1.323
   58    H    ASN  11           H        ASN  11   0.070 -11.806  -2.141
   59    HA   ASN  11           HA       ASN  11   2.243 -10.049  -1.214
   60    HB2  ASN  11           HB2      ASN  11  -0.018  -9.542  -3.223
   61    HB3  ASN  11           HB3      ASN  11   1.320  -8.418  -2.859
   62   HD21  ASN  11          HD21      ASN  11   1.569  -8.719  -5.348
   63   HD22  ASN  11          HD22      ASN  11   2.630  -9.993  -5.822
   64    H    THR  12           H        THR  12  -0.652 -10.764   0.424
   65    HA   THR  12           HA       THR  12  -1.613  -8.202   1.018
   66    HB   THR  12           HB       THR  12  -1.293 -10.585   2.938
   67    HG1  THR  12           HG1      THR  12  -3.474  -9.922   1.191
   68   HG21  THR  12          HG21      THR  12  -3.213  -8.169   3.052
   69   HG22  THR  12          HG22      THR  12  -1.896  -8.509   4.217
   70   HG23  THR  12          HG23      THR  12  -3.296  -9.608   4.105
   71    H    ILE  13           H        ILE  13   1.472  -9.802   2.017
   72    HA   ILE  13           HA       ILE  13   2.179  -8.273   4.205
   73    HB   ILE  13           HB       ILE  13   4.036  -8.772   1.794
   74   HG12  ILE  13          HG12      ILE  13   3.365 -10.995   2.499
   75   HG13  ILE  13          HG13      ILE  13   4.988 -10.689   3.100
   76   HG21  ILE  13          HG21      ILE  13   4.975  -7.007   3.233
   77   HG22  ILE  13          HG22      ILE  13   4.699  -7.982   4.694
   78   HG23  ILE  13          HG23      ILE  13   5.905  -8.493   3.481
   79   HD11  ILE  13          HD11      ILE  13   4.011 -10.190   5.412
   80   HD12  ILE  13          HD12      ILE  13   2.388 -10.593   4.769
   81   HD13  ILE  13          HD13      ILE  13   3.662 -11.834   4.822
   82    H    LEU  14           H        LEU  14   2.357  -7.231   0.696
   83    HA   LEU  14           HA       LEU  14   3.358  -4.640   1.494
   84    HB2  LEU  14           HB2      LEU  14   1.995  -5.345  -1.156
   85    HB3  LEU  14           HB3      LEU  14   2.969  -3.898  -0.799
   86    HG   LEU  14           HG       LEU  14   3.980  -6.810  -1.013
   87   HD11  LEU  14          HD11      LEU  14   3.566  -5.588  -3.175
   88   HD12  LEU  14          HD12      LEU  14   5.297  -5.929  -2.921
   89   HD13  LEU  14          HD13      LEU  14   4.664  -4.284  -2.636
   90   HD21  LEU  14          HD21      LEU  14   5.536  -4.307  -0.119
   91   HD22  LEU  14          HD22      LEU  14   6.298  -5.842  -0.623
   92   HD23  LEU  14          HD23      LEU  14   5.288  -5.808   0.831
   93    H    ASP  15           H        ASP  15   0.017  -5.962   0.893
   94    HA   ASP  15           HA       ASP  15  -1.320  -3.589   0.574
   95    HB2  ASP  15           HB2      ASP  15  -2.440  -5.833   0.615
   96    HB3  ASP  15           HB3      ASP  15  -2.266  -5.877   2.394
   97    H    ASN  16           H        ASN  16  -0.070  -4.881   3.777
   98    HA   ASN  16           HA       ASN  16  -1.465  -2.881   5.304
   99    HB2  ASN  16           HB2      ASN  16   0.920  -4.678   5.962
  100    HB3  ASN  16           HB3      ASN  16   0.576  -3.260   6.969
  101   HD21  ASN  16          HD21      ASN  16  -1.637  -5.792   5.398
  102   HD22  ASN  16          HD22      ASN  16  -2.431  -6.126   6.889
  103    H    LEU  17           H        LEU  17   2.146  -2.950   4.646
  104    HA   LEU  17           HA       LEU  17   2.424  -0.260   5.400
  105    HB2  LEU  17           HB2      LEU  17   4.657  -0.283   4.366
  106    HB3  LEU  17           HB3      LEU  17   4.306  -1.789   5.230
  107    HG   LEU  17           HG       LEU  17   3.536  -2.614   2.748
  108   HD11  LEU  17          HD11      LEU  17   5.721  -0.559   2.068
  109   HD12  LEU  17          HD12      LEU  17   4.008  -0.366   1.622
  110   HD13  LEU  17          HD13      LEU  17   4.950  -1.710   0.940
  111   HD21  LEU  17          HD21      LEU  17   5.822  -3.582   2.414
  112   HD22  LEU  17          HD22      LEU  17   5.274  -3.751   4.100
  113   HD23  LEU  17          HD23      LEU  17   6.458  -2.479   3.670
  114    H    ALA  18           H        ALA  18   1.353  -1.550   2.209
  115    HA   ALA  18           HA       ALA  18   1.882   0.912   0.825
  116    HB1  ALA  18           HB1      ALA  18   0.431   0.000  -0.972
  117    HB2  ALA  18           HB2      ALA  18   1.605  -1.227  -0.407
  118    HB3  ALA  18           HB3      ALA  18  -0.108  -1.321   0.104
  119    H    ALA  19           H        ALA  19  -1.084  -0.524   2.437
  120    HA   ALA  19           HA       ALA  19  -2.944   1.384   1.659
  121    HB1  ALA  19           HB1      ALA  19  -3.562  -0.562   3.110
  122    HB2  ALA  19           HB2      ALA  19  -2.654   0.144   4.480
  123    HB3  ALA  19           HB3      ALA  19  -4.114   0.967   3.856
  124    H    ARG  20           H        ARG  20  -0.495   1.617   4.358
  125    HA   ARG  20           HA       ARG  20  -1.476   4.308   5.038
  126    HB2  ARG  20           HB2      ARG  20   1.079   2.898   6.007
  127    HB3  ARG  20           HB3      ARG  20   0.304   4.342   6.706
  128    HG2  ARG  20           HG2      ARG  20  -0.764   1.432   6.742
  129    HG3  ARG  20           HG3      ARG  20  -0.255   2.439   8.113
  130    HD2  ARG  20           HD2      ARG  20  -2.177   4.015   7.589
  131    HD3  ARG  20           HD3      ARG  20  -2.737   2.834   6.344
  132    HE   ARG  20           HE       ARG  20  -2.440   1.423   8.780
  133   HH11  ARG  20          HH12      ARG  20  -4.516   3.997   7.335
  134   HH12  ARG  20          HH11      ARG  20  -5.893   3.535   8.327
  135   HH21  ARG  20          HH22      ARG  20  -4.264   0.916  10.001
  136   HH22  ARG  20          HH21      ARG  20  -5.761   1.833   9.803
  137    H    ASP  21           H        ASP  21   1.321   2.901   3.141
  138    HA   ASP  21           HA       ASP  21   2.727   5.307   2.857
  139    HB2  ASP  21           HB2      ASP  21   3.474   3.121   1.793
  140    HB3  ASP  21           HB3      ASP  21   2.169   3.295   0.584
  141    H    PHE  22           H        PHE  22  -0.350   4.191   1.223
  142    HA   PHE  22           HA       PHE  22  -0.204   6.429  -0.587
  143    HB2  PHE  22           HB2      PHE  22  -1.594   4.009  -0.754
  144    HB3  PHE  22           HB3      PHE  22  -2.895   5.160  -0.421
  145    HD1  PHE  22           HD1      PHE  22   0.295   4.792  -2.427
  146    HD2  PHE  22           HD2      PHE  22  -3.771   6.199  -2.464
  147    HE1  PHE  22           HE1      PHE  22   0.579   5.549  -4.763
  148    HE2  PHE  22           HE2      PHE  22  -3.515   6.845  -4.839
  149    HZ   PHE  22           HZ       PHE  22  -1.327   6.575  -5.977
  150    H    ILE  23           H        ILE  23  -2.508   5.602   2.154
  151    HA   ILE  23           HA       ILE  23  -3.830   8.099   2.029
  152    HB   ILE  23           HB       ILE  23  -3.290   6.202   4.363
  153   HG12  ILE  23          HG12      ILE  23  -4.945   5.566   2.502
  154   HG13  ILE  23          HG13      ILE  23  -5.575   5.508   4.160
  155   HG21  ILE  23          HG21      ILE  23  -4.818   8.851   4.548
  156   HG22  ILE  23          HG22      ILE  23  -4.973   7.520   5.737
  157   HG23  ILE  23          HG23      ILE  23  -3.409   8.332   5.507
  158   HD11  ILE  23          HD11      ILE  23  -7.222   6.486   2.546
  159   HD12  ILE  23          HD12      ILE  23  -6.821   7.631   3.842
  160   HD13  ILE  23          HD13      ILE  23  -6.133   7.850   2.210
  161    H    ASN  24           H        ASN  24  -0.798   7.234   3.857
  162    HA   ASN  24           HA       ASN  24  -0.630   9.914   4.907
  163    HB2  ASN  24           HB2      ASN  24   0.413   7.822   5.951
  164    HB3  ASN  24           HB3      ASN  24   1.683   7.912   4.708
  165   HD21  ASN  24          HD21      ASN  24   3.306   9.689   4.968
  166   HD22  ASN  24          HD22      ASN  24   3.288  10.724   6.347
  167    H    TRP  25           H        TRP  25   0.613   8.346   1.871
  168    HA   TRP  25           HA       TRP  25   2.529  10.153   1.101
  169    HB2  TRP  25           HB2      TRP  25   2.348   8.844  -0.780
  170    HB3  TRP  25           HB3      TRP  25   0.640   8.530  -0.483
  171    HD1  TRP  25           HD1      TRP  25   2.627  11.565  -1.848
  172    HE1  TRP  25           HE1      TRP  25   1.241  12.612  -3.681
  173    HE3  TRP  25           HE3      TRP  25  -1.502   8.402  -1.759
  174    HZ2  TRP  25           HZ2      TRP  25  -1.189  12.292  -4.905
  175    HZ3  TRP  25           HZ3      TRP  25  -3.420   8.986  -3.236
  176    HH2  TRP  25           HH2      TRP  25  -3.240  10.854  -4.845
  177    H    LEU  26           H        LEU  26  -1.057  10.619   0.863
  178    HA   LEU  26           HA       LEU  26  -1.039  13.078  -0.441
  179    HB2  LEU  26           HB2      LEU  26  -2.858  12.188   1.856
  180    HB3  LEU  26           HB3      LEU  26  -3.171  13.638   0.882
  181    HG   LEU  26           HG       LEU  26  -3.012  10.810  -0.368
  182   HD11  LEU  26          HD11      LEU  26  -4.872  10.877   1.288
  183   HD12  LEU  26          HD12      LEU  26  -5.496  10.833  -0.379
  184   HD13  LEU  26          HD13      LEU  26  -5.497  12.373   0.530
  185   HD21  LEU  26          HD21      LEU  26  -4.240  11.889  -2.264
  186   HD22  LEU  26          HD22      LEU  26  -2.657  12.652  -2.035
  187   HD23  LEU  26          HD23      LEU  26  -4.129  13.471  -1.449
  188    H    ILE  27           H        ILE  27  -0.705  12.528   3.165
  189    HA   ILE  27           HA       ILE  27  -0.368  15.310   3.678
  190    HB   ILE  27           HB       ILE  27   0.106  12.814   5.284
  191   HG12  ILE  27          HG12      ILE  27  -1.891  14.387   5.468
  192   HG13  ILE  27          HG13      ILE  27  -1.101  13.934   6.994
  193   HG21  ILE  27          HG21      ILE  27   1.874  15.231   5.902
  194   HG22  ILE  27          HG22      ILE  27   1.491  13.915   7.050
  195   HG23  ILE  27          HG23      ILE  27   2.386  13.556   5.562
  196   HD11  ILE  27          HD11      ILE  27  -0.572  16.642   5.583
  197   HD12  ILE  27          HD12      ILE  27  -1.729  16.378   6.908
  198   HD13  ILE  27          HD13      ILE  27   0.007  16.133   7.188
  199    H    GLN  28           H        GLN  28   2.137  12.741   2.992
  200    HA   GLN  28           HA       GLN  28   4.185  14.867   3.164
  201    HB2  GLN  28           HB2      GLN  28   5.840  13.130   2.971
  202    HB3  GLN  28           HB3      GLN  28   4.671  12.761   4.251
  203    HG2  GLN  28           HG2      GLN  28   3.711  10.962   2.958
  204    HG3  GLN  28           HG3      GLN  28   4.380  11.589   1.429
  205   HE21  GLN  28          HE21      GLN  28   5.724  10.560   4.720
  206   HE22  GLN  28          HE22      GLN  28   6.983   9.618   4.017
  207    H    THR  29           H        THR  29   2.406  15.540   1.047
  208    HA   THR  29           HA       THR  29   3.971  14.782  -1.391
  209    HB   THR  29           HB       THR  29   1.189  16.061  -1.121
  210    HG1  THR  29           HG1      THR  29   1.339  13.736  -0.688
  211   HG21  THR  29          HG21      THR  29   1.088  15.719  -3.590
  212   HG22  THR  29          HG22      THR  29   2.796  15.194  -3.607
  213   HG23  THR  29          HG23      THR  29   2.378  16.883  -3.178
  214    H    LYS  30           H        LYS  30   2.342  17.782   0.056
  215    HA   LYS  30           HA       LYS  30   4.156  19.384  -1.582
  216    HB2  LYS  30           HB2      LYS  30   1.774  20.024  -1.201
  217    HB3  LYS  30           HB3      LYS  30   2.089  20.198   0.537
  218    HG2  LYS  30           HG2      LYS  30   2.034  22.405  -0.594
  219    HG3  LYS  30           HG3      LYS  30   3.602  22.090   0.171
  220    HD2  LYS  30           HD2      LYS  30   3.804  23.213  -2.053
  221    HD3  LYS  30           HD3      LYS  30   4.687  21.682  -1.982
  222    HE2  LYS  30           HE2      LYS  30   3.572  21.956  -4.154
  223    HE3  LYS  30           HE3      LYS  30   2.883  20.553  -3.324
  224    HZ1  LYS  30           HZ1      LYS  30   1.175  21.962  -4.421
  225    HZ2  LYS  30           HZ2      LYS  30   1.615  23.314  -3.420
  226    HZ3  LYS  30           HZ3      LYS  30   0.893  21.885  -2.721
  227    H    ILE  31           H        ILE  31   3.716  18.659   1.986
  228    HA   ILE  31           HA       ILE  31   5.793  20.433   2.702
  229    HB   ILE  31           HB       ILE  31   4.136  19.649   4.330
  230   HG12  ILE  31          HG12      ILE  31   7.065  19.137   5.166
  231   HG13  ILE  31          HG13      ILE  31   6.274  20.729   5.043
  232   HG21  ILE  31          HG21      ILE  31   4.231  17.466   5.454
  233   HG22  ILE  31          HG22      ILE  31   4.138  17.169   3.721
  234   HG23  ILE  31          HG23      ILE  31   5.704  17.008   4.563
  235   HD11  ILE  31          HD11      ILE  31   6.293  20.123   7.388
  236   HD12  ILE  31          HD12      ILE  31   4.601  19.983   6.833
  237   HD13  ILE  31          HD13      ILE  31   5.598  18.516   7.080
  238    H    THR  32           H        THR  32   5.988  16.796   2.061
  239    HA   THR  32           HA       THR  32   8.949  17.087   2.352
  240    HB   THR  32           HB       THR  32   7.344  14.540   1.968
  241    HG1  THR  32           HG1      THR  32   7.506  14.486   4.358
  242   HG21  THR  32          HG21      THR  32   9.361  13.443   2.954
  243   HG22  THR  32          HG22      THR  32  10.162  15.030   3.121
  244   HG23  THR  32          HG23      THR  32   9.824  14.361   1.495
  245    H    ASP  33           H        ASP  33   6.471  15.675  -0.012
  246    HA   ASP  33           HA       ASP  33   6.669  15.283  -2.267
  247    HB2  ASP  33           HB2      ASP  33   7.289  17.855  -2.107
  248    HB3  ASP  33           HB3      ASP  33   8.953  17.333  -2.424
  Start of MODEL    2
    1    H1   HIS   1           H1       HIS   1   0.603 -20.262  -8.777
    2    HA   HIS   1           HA       HIS   1  -0.389 -18.822  -7.021
    3    HB2  HIS   1           HB2      HIS   1   2.244 -17.302  -7.500
    4    HB3  HIS   1           HB3      HIS   1   0.910 -16.688  -6.485
    5    HD1  HIS   1           HD1      HIS   1   0.696 -17.719  -4.163
    6    HD2  HIS   1           HD2      HIS   1   3.557 -19.594  -6.606
    7    HE1  HIS   1           HE1      HIS   1   1.964 -19.288  -2.642
    8    H    ALA   2           H        ALA   2  -1.853 -18.883  -8.978
    9    HA   ALA   2           HA       ALA   2  -1.502 -16.454 -10.742
   10    HB1  ALA   2           HB1      ALA   2  -2.267 -19.322 -11.550
   11    HB2  ALA   2           HB2      ALA   2  -2.262 -17.886 -12.620
   12    HB3  ALA   2           HB3      ALA   2  -0.730 -18.492 -11.921
   13    H    ASP   3           H        ASP   3  -3.049 -15.383  -9.213
   14    HA   ASP   3           HA       ASP   3  -5.204 -14.747  -8.657
   15    HB2  ASP   3           HB2      ASP   3  -5.220 -14.498 -11.147
   16    HB3  ASP   3           HB3      ASP   3  -5.899 -16.135 -11.314
   17    H    GLY   4           H        GLY   4  -4.637 -16.561  -6.924
   18    HA2  GLY   4           HA2      GLY   4  -6.892 -18.575  -7.017
   19    HA3  GLY   4           HA3      GLY   4  -5.346 -18.829  -6.185
   20    H    SER   5           H        SER   5  -7.444 -19.153  -4.528
   21    HA   SER   5           HA       SER   5  -8.594 -16.702  -3.587
   22    HB2  SER   5           HB2      SER   5  -9.795 -18.775  -3.194
   23    HB3  SER   5           HB3      SER   5  -8.470 -19.438  -2.216
   24    HG   SER   5           HG       SER   5  -9.993 -17.110  -1.487
   25    H    PHE   6           H        PHE   6  -6.281 -18.834  -1.642
   26    HA   PHE   6           HA       PHE   6  -5.429 -16.382  -0.229
   27    HB2  PHE   6           HB2      PHE   6  -4.878 -19.354   0.195
   28    HB3  PHE   6           HB3      PHE   6  -3.728 -18.143   0.785
   29    HD1  PHE   6           HD1      PHE   6  -7.489 -17.727   0.670
   30    HD2  PHE   6           HD2      PHE   6  -4.032 -18.415   3.138
   31    HE1  PHE   6           HE1      PHE   6  -8.781 -17.087   2.669
   32    HE2  PHE   6           HE2      PHE   6  -5.340 -17.814   5.135
   33    HZ   PHE   6           HZ       PHE   6  -7.710 -17.111   4.908
   34    H    SER   7           H        SER   7  -4.194 -18.439  -2.955
   35    HA   SER   7           HA       SER   7  -1.514 -17.652  -2.781
   36    HB2  SER   7           HB2      SER   7  -3.256 -17.986  -5.299
   37    HB3  SER   7           HB3      SER   7  -1.519 -17.618  -5.342
   38    HG   SER   7           HG       SER   7  -2.622 -19.971  -4.103
   39    H    ASP   8           H        ASP   8  -4.402 -15.756  -4.066
   40    HA   ASP   8           HA       ASP   8  -2.803 -13.582  -4.971
   41    HB2  ASP   8           HB2      ASP   8  -5.223 -13.773  -5.536
   42    HB3  ASP   8           HB3      ASP   8  -5.656 -13.467  -3.830
   43    H    GLU   9           H        GLU   9  -4.268 -14.284  -1.662
   44    HA   GLU   9           HA       GLU   9  -3.194 -11.846  -0.587
   45    HB2  GLU   9           HB2      GLU   9  -4.045 -14.395   0.910
   46    HB3  GLU   9           HB3      GLU   9  -3.496 -12.908   1.701
   47    HG2  GLU   9           HG2      GLU   9  -5.789 -12.577   1.827
   48    HG3  GLU   9           HG3      GLU   9  -5.408 -11.663   0.359
   49    H    MET  10           H        MET  10  -1.250 -14.480  -1.713
   50    HA   MET  10           HA       MET  10   0.583 -14.625   0.375
   51    HB2  MET  10           HB2      MET  10   2.289 -15.286  -1.181
   52    HB3  MET  10           HB3      MET  10   0.744 -15.930  -1.780
   53    HG2  MET  10           HG2      MET  10   1.909 -15.085  -3.719
   54    HG3  MET  10           HG3      MET  10   0.699 -13.814  -3.371
   55    HE1  MET  10           HE1      MET  10   3.811 -11.753  -4.653
   56    HE2  MET  10           HE2      MET  10   3.591 -13.460  -5.162
   57    HE3  MET  10           HE3      MET  10   2.171 -12.371  -5.034
   58    H    ASN  11           H        ASN  11  -0.040 -11.867  -1.892
   59    HA   ASN  11           HA       ASN  11   2.407 -10.529  -0.912
   60    HB2  ASN  11           HB2      ASN  11   1.498 -10.597  -3.362
   61    HB3  ASN  11           HB3      ASN  11   0.356  -9.341  -2.834
   62   HD21  ASN  11          HD21      ASN  11   2.210  -8.840  -4.924
   63   HD22  ASN  11          HD22      ASN  11   3.431  -7.767  -4.351
   64    H    THR  12           H        THR  12  -0.613 -10.900   0.553
   65    HA   THR  12           HA       THR  12  -1.358  -8.249   1.133
   66    HB   THR  12           HB       THR  12  -1.525 -10.738   2.929
   67    HG1  THR  12           HG1      THR  12  -3.405  -9.727   1.004
   68   HG21  THR  12          HG21      THR  12  -2.041  -8.678   4.269
   69   HG22  THR  12          HG22      THR  12  -3.526  -9.612   3.943
   70   HG23  THR  12          HG23      THR  12  -3.187  -8.134   3.004
   71    H    ILE  13           H        ILE  13   1.424 -10.181   2.338
   72    HA   ILE  13           HA       ILE  13   2.019  -8.868   4.695
   73    HB   ILE  13           HB       ILE  13   4.065  -9.402   2.457
   74   HG12  ILE  13          HG12      ILE  13   3.128 -11.581   2.917
   75   HG13  ILE  13          HG13      ILE  13   4.676 -11.487   3.746
   76   HG21  ILE  13          HG21      ILE  13   5.763  -9.425   4.342
   77   HG22  ILE  13          HG22      ILE  13   5.006  -7.841   4.111
   78   HG23  ILE  13          HG23      ILE  13   4.486  -8.877   5.462
   79   HD11  ILE  13          HD11      ILE  13   1.900 -11.229   5.063
   80   HD12  ILE  13          HD12      ILE  13   3.038 -12.586   5.199
   81   HD13  ILE  13          HD13      ILE  13   3.449 -11.018   5.937
   82    H    LEU  14           H        LEU  14   2.606  -7.609   1.311
   83    HA   LEU  14           HA       LEU  14   3.689  -5.124   2.414
   84    HB2  LEU  14           HB2      LEU  14   2.765  -5.726  -0.438
   85    HB3  LEU  14           HB3      LEU  14   3.700  -4.305   0.092
   86    HG   LEU  14           HG       LEU  14   4.684  -7.236   0.130
   87   HD11  LEU  14          HD11      LEU  14   6.238  -6.498  -1.655
   88   HD12  LEU  14          HD12      LEU  14   5.590  -4.834  -1.575
   89   HD13  LEU  14          HD13      LEU  14   4.561  -6.170  -2.159
   90   HD21  LEU  14          HD21      LEU  14   6.941  -6.223   0.725
   91   HD22  LEU  14          HD22      LEU  14   5.766  -6.083   2.041
   92   HD23  LEU  14          HD23      LEU  14   6.128  -4.661   1.014
   93    H    ASP  15           H        ASP  15   0.371  -6.210   1.433
   94    HA   ASP  15           HA       ASP  15  -0.750  -3.757   0.930
   95    HB2  ASP  15           HB2      ASP  15  -2.105  -5.854   0.891
   96    HB3  ASP  15           HB3      ASP  15  -2.020  -5.945   2.672
   97    H    ASN  16           H        ASN  16  -0.069  -5.090   4.276
   98    HA   ASN  16           HA       ASN  16  -1.355  -2.966   5.671
   99    HB2  ASN  16           HB2      ASN  16   0.976  -4.812   6.418
  100    HB3  ASN  16           HB3      ASN  16   0.681  -3.362   7.389
  101   HD21  ASN  16          HD21      ASN  16  -1.716  -5.771   5.894
  102   HD22  ASN  16          HD22      ASN  16  -2.481  -6.041   7.410
  103    H    LEU  17           H        LEU  17   1.893  -3.124   4.092
  104    HA   LEU  17           HA       LEU  17   2.688  -0.579   5.281
  105    HB2  LEU  17           HB2      LEU  17   4.000  -1.832   2.816
  106    HB3  LEU  17           HB3      LEU  17   4.687  -0.694   3.996
  107    HG   LEU  17           HG       LEU  17   4.064  -3.702   4.403
  108   HD11  LEU  17          HD11      LEU  17   6.714  -2.164   4.545
  109   HD12  LEU  17          HD12      LEU  17   6.159  -3.124   3.144
  110   HD13  LEU  17          HD13      LEU  17   6.482  -3.930   4.702
  111   HD21  LEU  17          HD21      LEU  17   3.454  -2.575   6.529
  112   HD22  LEU  17          HD22      LEU  17   5.016  -1.695   6.526
  113   HD23  LEU  17          HD23      LEU  17   4.977  -3.475   6.708
  114    H    ALA  18           H        ALA  18   1.683  -1.710   1.940
  115    HA   ALA  18           HA       ALA  18   1.833   0.791   0.718
  116    HB1  ALA  18           HB1      ALA  18   0.183  -0.078  -0.953
  117    HB2  ALA  18           HB2      ALA  18   1.406  -1.321  -0.558
  118    HB3  ALA  18           HB3      ALA  18  -0.236  -1.421   0.150
  119    H    ALA  19           H        ALA  19  -0.841  -0.639   2.729
  120    HA   ALA  19           HA       ALA  19  -2.882   1.109   2.122
  121    HB1  ALA  19           HB1      ALA  19  -2.133   0.096   4.944
  122    HB2  ALA  19           HB2      ALA  19  -3.704   0.812   4.483
  123    HB3  ALA  19           HB3      ALA  19  -3.183  -0.741   3.765
  124    H    ARG  20           H        ARG  20  -0.183   1.653   4.526
  125    HA   ARG  20           HA       ARG  20  -1.128   4.427   4.879
  126    HB2  ARG  20           HB2      ARG  20   0.811   2.663   6.378
  127    HB3  ARG  20           HB3      ARG  20   1.331   4.343   6.178
  128    HG2  ARG  20           HG2      ARG  20   0.084   4.148   8.286
  129    HG3  ARG  20           HG3      ARG  20  -0.753   5.192   7.140
  130    HD2  ARG  20           HD2      ARG  20  -2.508   3.916   8.017
  131    HD3  ARG  20           HD3      ARG  20  -2.163   3.032   6.501
  132    HE   ARG  20           HE       ARG  20  -0.638   1.896   8.659
  133   HH11  ARG  20          HH12      ARG  20  -4.052   2.184   7.524
  134   HH12  ARG  20          HH11      ARG  20  -4.529   0.729   8.389
  135   HH21  ARG  20          HH22      ARG  20  -1.363   0.065   9.748
  136   HH22  ARG  20          HH21      ARG  20  -3.046  -0.449   9.619
  137    H    ASP  21           H        ASP  21   1.319   2.823   2.788
  138    HA   ASP  21           HA       ASP  21   2.893   5.081   2.340
  139    HB2  ASP  21           HB2      ASP  21   3.316   2.916   1.154
  140    HB3  ASP  21           HB3      ASP  21   1.866   3.178   0.149
  141    H    PHE  22           H        PHE  22  -0.335   4.255   0.760
  142    HA   PHE  22           HA       PHE  22  -0.221   6.730  -0.714
  143    HB2  PHE  22           HB2      PHE  22  -2.244   6.201  -1.736
  144    HB3  PHE  22           HB3      PHE  22  -1.517   4.616  -1.443
  145    HD1  PHE  22           HD2      PHE  22  -4.047   7.123  -0.295
  146    HD2  PHE  22           HD1      PHE  22  -2.670   3.067   0.148
  147    HE1  PHE  22           HE2      PHE  22  -6.122   6.553   0.913
  148    HE2  PHE  22           HE1      PHE  22  -4.765   2.500   1.347
  149    HZ   PHE  22           HZ       PHE  22  -6.473   4.245   1.764
  150    H    ILE  23           H        ILE  23  -1.927   5.625   2.322
  151    HA   ILE  23           HA       ILE  23  -3.493   7.965   2.468
  152    HB   ILE  23           HB       ILE  23  -3.224   5.674   4.165
  153   HG12  ILE  23          HG12      ILE  23  -5.351   6.656   3.405
  154   HG13  ILE  23          HG13      ILE  23  -5.322   6.281   5.139
  155   HG21  ILE  23          HG21      ILE  23  -3.136   6.530   6.466
  156   HG22  ILE  23          HG22      ILE  23  -1.614   6.832   5.593
  157   HG23  ILE  23          HG23      ILE  23  -2.749   8.172   5.879
  158   HD11  ILE  23          HD11      ILE  23  -6.463   8.452   4.621
  159   HD12  ILE  23          HD12      ILE  23  -5.094   8.659   5.740
  160   HD13  ILE  23          HD13      ILE  23  -4.923   9.128   4.022
  161    H    ASN  24           H        ASN  24  -0.121   7.368   3.615
  162    HA   ASN  24           HA       ASN  24  -0.008  10.110   4.706
  163    HB2  ASN  24           HB2      ASN  24   1.748   7.703   4.982
  164    HB3  ASN  24           HB3      ASN  24   2.658   9.170   4.665
  165   HD21  ASN  24          HD21      ASN  24   0.200   7.745   6.939
  166   HD22  ASN  24          HD22      ASN  24   0.600   8.815   8.229
  167    H    TRP  25           H        TRP  25   0.114   9.003   1.478
  168    HA   TRP  25           HA       TRP  25   2.177  10.924   0.685
  169    HB2  TRP  25           HB2      TRP  25   2.124   9.618  -1.175
  170    HB3  TRP  25           HB3      TRP  25   0.534   8.963  -0.801
  171    HD1  TRP  25           HD1      TRP  25   1.921  12.311  -2.252
  172    HE1  TRP  25           HE1      TRP  25   0.279  13.125  -3.983
  173    HE3  TRP  25           HE3      TRP  25  -1.762   8.688  -1.729
  174    HZ2  TRP  25           HZ2      TRP  25  -2.138  12.412  -5.071
  175    HZ3  TRP  25           HZ3      TRP  25  -3.755   8.853  -3.217
  176    HH2  TRP  25           HH2      TRP  25  -3.930  10.672  -4.885
  177    H    LEU  26           H        LEU  26  -1.453  10.814   0.864
  178    HA   LEU  26           HA       LEU  26  -1.948  13.168  -0.511
  179    HB2  LEU  26           HB2      LEU  26  -3.365  12.221   2.045
  180    HB3  LEU  26           HB3      LEU  26  -3.991  13.494   0.972
  181    HG   LEU  26           HG       LEU  26  -3.615  10.546   0.120
  182   HD11  LEU  26          HD11      LEU  26  -6.088  10.400   0.255
  183   HD12  LEU  26          HD12      LEU  26  -6.175  12.082   0.848
  184   HD13  LEU  26          HD13      LEU  26  -5.405  10.816   1.845
  185   HD21  LEU  26          HD21      LEU  26  -3.465  12.071  -1.859
  186   HD22  LEU  26          HD22      LEU  26  -4.949  12.913  -1.340
  187   HD23  LEU  26          HD23      LEU  26  -5.013  11.210  -1.865
  188    H    ILE  27           H        ILE  27  -1.023  12.884   2.992
  189    HA   ILE  27           HA       ILE  27  -1.325  15.692   3.418
  190    HB   ILE  27           HB       ILE  27  -0.066  15.506   5.483
  191   HG12  ILE  27          HG12      ILE  27   0.647  12.960   6.110
  192   HG13  ILE  27          HG13      ILE  27   0.892  12.856   4.365
  193   HG21  ILE  27          HG21      ILE  27  -1.532  13.950   6.672
  194   HG22  ILE  27          HG22      ILE  27  -2.464  14.766   5.397
  195   HG23  ILE  27          HG23      ILE  27  -1.932  13.077   5.174
  196   HD11  ILE  27          HD11      ILE  27   2.238  14.793   6.351
  197   HD12  ILE  27          HD12      ILE  27   3.014  13.448   5.469
  198   HD13  ILE  27          HD13      ILE  27   2.487  14.908   4.596
  199    H    GLN  28           H        GLN  28   1.467  13.797   2.088
  200    HA   GLN  28           HA       GLN  28   3.033  16.329   2.091
  201    HB2  GLN  28           HB2      GLN  28   4.977  14.969   1.403
  202    HB3  GLN  28           HB3      GLN  28   4.302  14.404   2.938
  203    HG2  GLN  28           HG2      GLN  28   3.431  12.438   1.919
  204    HG3  GLN  28           HG3      GLN  28   3.497  13.119   0.265
  205   HE21  GLN  28          HE21      GLN  28   4.651  11.066  -0.354
  206   HE22  GLN  28          HE22      GLN  28   6.323  10.922   0.029
  207    H    THR  29           H        THR  29   0.643  16.129   0.244
  208    HA   THR  29           HA       THR  29   1.710  15.462  -2.343
  209    HB   THR  29           HB       THR  29  -0.672  17.240  -1.601
  210    HG1  THR  29           HG1      THR  29  -1.759  15.186  -2.101
  211   HG21  THR  29          HG21      THR  29   0.066  15.954  -4.309
  212   HG22  THR  29          HG22      THR  29   0.177  17.706  -3.957
  213   HG23  THR  29          HG23      THR  29  -1.409  16.891  -3.955
  214    H    LYS  30           H        LYS  30   1.059  18.705  -0.732
  215    HA   LYS  30           HA       LYS  30   2.153  20.132  -2.853
  216    HB2  LYS  30           HB2      LYS  30   2.195  22.092  -1.552
  217    HB3  LYS  30           HB3      LYS  30   0.755  21.201  -1.036
  218    HG2  LYS  30           HG2      LYS  30   3.448  21.362   0.484
  219    HG3  LYS  30           HG3      LYS  30   2.043  22.392   0.790
  220    HD2  LYS  30           HD2      LYS  30   2.092  19.351   1.319
  221    HD3  LYS  30           HD3      LYS  30   2.276  20.657   2.496
  222    HE2  LYS  30           HE2      LYS  30  -0.049  21.502   1.838
  223    HE3  LYS  30           HE3      LYS  30  -0.246  20.031   0.854
  224    HZ1  LYS  30           HZ1      LYS  30   0.249  20.130   3.848
  225    HZ2  LYS  30           HZ2      LYS  30   0.188  18.664   2.911
  226    HZ3  LYS  30           HZ3      LYS  30  -1.221  19.670   3.054
  227    H    ILE  31           H        ILE  31   3.878  18.743  -0.022
  228    HA   ILE  31           HA       ILE  31   6.277  20.246  -0.690
  229    HB   ILE  31           HB       ILE  31   5.635  19.695   1.665
  230   HG12  ILE  31          HG12      ILE  31   8.446  18.825   0.745
  231   HG13  ILE  31          HG13      ILE  31   7.904  20.488   1.093
  232   HG21  ILE  31          HG21      ILE  31   6.063  17.473   2.640
  233   HG22  ILE  31          HG22      ILE  31   5.022  17.266   1.241
  234   HG23  ILE  31          HG23      ILE  31   6.754  16.878   1.102
  235   HD11  ILE  31          HD11      ILE  31   9.157  19.725   3.033
  236   HD12  ILE  31          HD12      ILE  31   7.438  19.763   3.512
  237   HD13  ILE  31          HD13      ILE  31   8.244  18.208   3.142
  238    H    THR  32           H        THR  32   5.151  16.780  -1.136
  239    HA   THR  32           HA       THR  32   7.758  16.243  -2.479
  240    HB   THR  32           HB       THR  32   5.573  14.268  -1.646
  241    HG1  THR  32           HG1      THR  32   8.043  14.898  -0.364
  242   HG21  THR  32          HG21      THR  32   6.939  13.466  -3.598
  243   HG22  THR  32          HG22      THR  32   7.314  12.563  -2.104
  244   HG23  THR  32          HG23      THR  32   8.437  13.820  -2.690
  245    H    ASP  33           H        ASP  33   4.215  15.440  -3.154
  246    HA   ASP  33           HA       ASP  33   4.316  16.697  -5.735
  247    HB2  ASP  33           HB2      ASP  33   5.821  14.788  -6.366
  248    HB3  ASP  33           HB3      ASP  33   4.696  13.635  -5.612
  Start of MODEL    3
    1    H1   HIS   1           H1       HIS   1   4.945 -18.498 -10.938
    2    HA   HIS   1           HA       HIS   1   4.033 -16.261  -9.202
    3    HB2  HIS   1           HB2      HIS   1   3.328 -16.812 -12.156
    4    HB3  HIS   1           HB3      HIS   1   2.426 -15.680 -11.120
    5    HD1  HIS   1           HD1      HIS   1   3.123 -13.420 -11.772
    6    HD2  HIS   1           HD2      HIS   1   6.376 -16.086 -11.622
    7    HE1  HIS   1           HE1      HIS   1   5.174 -12.031 -12.251
    8    H    ALA   2           H        ALA   2   1.675 -16.343  -8.607
    9    HA   ALA   2           HA       ALA   2   0.154 -18.698  -9.411
   10    HB1  ALA   2           HB1      ALA   2  -0.069 -19.624  -7.063
   11    HB2  ALA   2           HB2      ALA   2   1.623 -19.724  -7.624
   12    HB3  ALA   2           HB3      ALA   2   1.138 -18.435  -6.488
   13    H    ASP   3           H        ASP   3  -2.110 -18.628  -8.449
   14    HA   ASP   3           HA       ASP   3  -2.730 -16.281  -6.864
   15    HB2  ASP   3           HB2      ASP   3  -2.631 -15.871  -9.687
   16    HB3  ASP   3           HB3      ASP   3  -4.359 -16.104  -9.379
   17    H    GLY   4           H        GLY   4  -4.679 -16.698  -5.684
   18    HA2  GLY   4           HA2      GLY   4  -6.764 -18.416  -6.526
   19    HA3  GLY   4           HA3      GLY   4  -5.507 -19.419  -5.734
   20    H    SER   5           H        SER   5  -6.851 -19.881  -3.773
   21    HA   SER   5           HA       SER   5  -8.256 -17.742  -2.483
   22    HB2  SER   5           HB2      SER   5  -8.977 -20.013  -2.090
   23    HB3  SER   5           HB3      SER   5  -7.418 -20.469  -1.358
   24    HG   SER   5           HG       SER   5  -9.003 -19.817   0.293
   25    H    PHE   6           H        PHE   6  -5.304 -19.487  -1.108
   26    HA   PHE   6           HA       PHE   6  -4.687 -16.971   0.317
   27    HB2  PHE   6           HB2      PHE   6  -3.737 -19.837   0.625
   28    HB3  PHE   6           HB3      PHE   6  -2.578 -18.564   0.993
   29    HD1  PHE   6           HD2      PHE   6  -5.985 -19.836   1.903
   30    HD2  PHE   6           HD1      PHE   6  -2.830 -17.084   2.891
   31    HE1  PHE   6           HE2      PHE   6  -7.017 -19.432   4.118
   32    HE2  PHE   6           HE1      PHE   6  -3.854 -16.698   5.101
   33    HZ   PHE   6           HZ       PHE   6  -5.949 -17.874   5.726
   34    H    SER   7           H        SER   7  -3.406 -18.865  -2.516
   35    HA   SER   7           HA       SER   7  -0.923 -17.584  -2.654
   36    HB2  SER   7           HB2      SER   7  -2.772 -18.473  -4.955
   37    HB3  SER   7           HB3      SER   7  -1.124 -17.831  -5.194
   38    HG   SER   7           HG       SER   7  -1.672 -20.180  -3.644
   39    H    ASP   8           H        ASP   8  -4.198 -16.194  -3.429
   40    HA   ASP   8           HA       ASP   8  -3.002 -13.870  -4.717
   41    HB2  ASP   8           HB2      ASP   8  -5.386 -14.456  -5.180
   42    HB3  ASP   8           HB3      ASP   8  -5.800 -14.172  -3.468
   43    H    GLU   9           H        GLU   9  -4.273 -14.707  -1.380
   44    HA   GLU   9           HA       GLU   9  -3.655 -12.112  -0.325
   45    HB2  GLU   9           HB2      GLU   9  -3.940 -14.821   1.094
   46    HB3  GLU   9           HB3      GLU   9  -3.754 -13.291   1.966
   47    HG2  GLU   9           HG2      GLU   9  -6.084 -13.768  -0.005
   48    HG3  GLU   9           HG3      GLU   9  -6.176 -14.070   1.746
   49    H    MET  10           H        MET  10  -1.392 -14.592  -1.368
   50    HA   MET  10           HA       MET  10   0.469 -14.406   0.701
   51    HB2  MET  10           HB2      MET  10   0.652 -15.977  -1.177
   52    HB3  MET  10           HB3      MET  10   1.013 -14.651  -2.314
   53    HG2  MET  10           HG2      MET  10   2.749 -15.245   0.182
   54    HG3  MET  10           HG3      MET  10   3.025 -16.074  -1.370
   55    HE1  MET  10           HE1      MET  10   4.495 -13.470  -3.736
   56    HE2  MET  10           HE2      MET  10   4.644 -15.162  -3.165
   57    HE3  MET  10           HE3      MET  10   3.061 -14.546  -3.744
   58    H    ASN  11           H        ASN  11  -0.072 -12.026  -2.051
   59    HA   ASN  11           HA       ASN  11   2.132 -10.366  -1.042
   60    HB2  ASN  11           HB2      ASN  11   0.020  -9.851  -3.204
   61    HB3  ASN  11           HB3      ASN  11   1.222  -8.646  -2.690
   62   HD21  ASN  11          HD21      ASN  11   2.430  -8.588  -4.714
   63   HD22  ASN  11          HD22      ASN  11   3.351  -9.952  -5.213
   64    H    THR  12           H        THR  12  -0.979 -10.827   0.372
   65    HA   THR  12           HA       THR  12  -1.776  -8.249   0.935
   66    HB   THR  12           HB       THR  12  -1.640 -10.598   2.916
   67    HG1  THR  12           HG1      THR  12  -3.715  -9.883   1.065
   68   HG21  THR  12          HG21      THR  12  -3.653  -9.518   3.976
   69   HG22  THR  12          HG22      THR  12  -3.459  -8.102   2.906
   70   HG23  THR  12          HG23      THR  12  -2.212  -8.479   4.134
   71    H    ILE  13           H        ILE  13   1.183  -9.934   2.167
   72    HA   ILE  13           HA       ILE  13   1.826  -8.377   4.343
   73    HB   ILE  13           HB       ILE  13   3.791  -8.991   2.042
   74   HG12  ILE  13          HG12      ILE  13   3.030 -11.171   2.754
   75   HG13  ILE  13          HG13      ILE  13   4.606 -10.896   3.481
   76   HG21  ILE  13          HG21      ILE  13   4.340  -8.147   4.949
   77   HG22  ILE  13          HG22      ILE  13   5.583  -8.722   3.803
   78   HG23  ILE  13          HG23      ILE  13   4.712  -7.215   3.478
   79   HD11  ILE  13          HD11      ILE  13   3.437 -10.279   5.685
   80   HD12  ILE  13          HD12      ILE  13   1.876 -10.701   4.916
   81   HD13  ILE  13          HD13      ILE  13   3.130 -11.943   5.128
   82    H    LEU  14           H        LEU  14   2.292  -7.395   0.838
   83    HA   LEU  14           HA       LEU  14   3.314  -4.830   1.681
   84    HB2  LEU  14           HB2      LEU  14   2.115  -5.554  -1.044
   85    HB3  LEU  14           HB3      LEU  14   3.067  -4.099  -0.663
   86    HG   LEU  14           HG       LEU  14   4.113  -7.009  -0.685
   87   HD11  LEU  14          HD11      LEU  14   5.504  -6.218  -2.584
   88   HD12  LEU  14          HD12      LEU  14   4.819  -4.575  -2.436
   89   HD13  LEU  14          HD13      LEU  14   3.778  -5.940  -2.939
   90   HD21  LEU  14          HD21      LEU  14   6.398  -5.961  -0.266
   91   HD22  LEU  14          HD22      LEU  14   5.323  -5.885   1.138
   92   HD23  LEU  14          HD23      LEU  14   5.574  -4.425   0.126
   93    H    ASP  15           H        ASP  15  -0.022  -6.042   0.868
   94    HA   ASP  15           HA       ASP  15  -1.252  -3.631   0.454
   95    HB2  ASP  15           HB2      ASP  15  -2.452  -5.839   0.459
   96    HB3  ASP  15           HB3      ASP  15  -2.400  -5.847   2.247
   97    H    ASN  16           H        ASN  16  -0.207  -4.912   3.736
   98    HA   ASN  16           HA       ASN  16  -1.614  -2.835   5.153
   99    HB2  ASN  16           HB2      ASN  16   0.658  -4.709   5.973
  100    HB3  ASN  16           HB3      ASN  16   0.312  -3.261   6.935
  101   HD21  ASN  16          HD21      ASN  16  -1.916  -5.723   5.276
  102   HD22  ASN  16          HD22      ASN  16  -2.804  -6.000   6.724
  103    H    LEU  17           H        LEU  17   2.027  -3.040   4.685
  104    HA   LEU  17           HA       LEU  17   2.335  -0.345   5.433
  105    HB2  LEU  17           HB2      LEU  17   4.626  -0.440   4.571
  106    HB3  LEU  17           HB3      LEU  17   4.175  -1.934   5.410
  107    HG   LEU  17           HG       LEU  17   3.580  -2.762   2.888
  108   HD11  LEU  17          HD11      LEU  17   5.127  -1.882   1.177
  109   HD12  LEU  17          HD12      LEU  17   5.833  -0.738   2.351
  110   HD13  LEU  17          HD13      LEU  17   4.161  -0.522   1.784
  111   HD21  LEU  17          HD21      LEU  17   5.211  -3.906   4.363
  112   HD22  LEU  17          HD22      LEU  17   6.432  -2.648   4.013
  113   HD23  LEU  17          HD23      LEU  17   5.877  -3.750   2.720
  114    H    ALA  18           H        ALA  18   1.501  -1.669   2.187
  115    HA   ALA  18           HA       ALA  18   2.102   0.784   0.810
  116    HB1  ALA  18           HB1      ALA  18   0.145  -1.456   0.005
  117    HB2  ALA  18           HB2      ALA  18   0.761  -0.157  -1.057
  118    HB3  ALA  18           HB3      ALA  18   1.886  -1.389  -0.408
  119    H    ALA  19           H        ALA  19  -0.918  -0.617   2.354
  120    HA   ALA  19           HA       ALA  19  -2.728   1.261   1.439
  121    HB1  ALA  19           HB1      ALA  19  -3.995   0.981   3.598
  122    HB2  ALA  19           HB2      ALA  19  -3.464  -0.592   2.940
  123    HB3  ALA  19           HB3      ALA  19  -2.591   0.144   4.318
  124    H    ARG  20           H        ARG  20  -0.321   1.534   4.166
  125    HA   ARG  20           HA       ARG  20  -1.275   4.250   4.772
  126    HB2  ARG  20           HB2      ARG  20   1.218   2.853   5.867
  127    HB3  ARG  20           HB3      ARG  20   0.388   4.293   6.513
  128    HG2  ARG  20           HG2      ARG  20  -0.620   1.365   6.526
  129    HG3  ARG  20           HG3      ARG  20  -0.237   2.405   7.912
  130    HD2  ARG  20           HD2      ARG  20  -2.178   3.897   7.281
  131    HD3  ARG  20           HD3      ARG  20  -2.588   2.739   5.957
  132    HE   ARG  20           HE       ARG  20  -2.445   1.258   8.365
  133   HH11  ARG  20          HH12      ARG  20  -4.492   3.788   6.802
  134   HH12  ARG  20          HH11      ARG  20  -5.941   3.210   7.614
  135   HH21  ARG  20          HH22      ARG  20  -4.361   0.603   9.351
  136   HH22  ARG  20          HH21      ARG  20  -5.875   1.452   9.027
  137    H    ASP  21           H        ASP  21   1.434   2.791   2.820
  138    HA   ASP  21           HA       ASP  21   3.024   5.062   2.655
  139    HB2  ASP  21           HB2      ASP  21   3.578   2.949   1.433
  140    HB3  ASP  21           HB3      ASP  21   2.243   3.246   0.288
  141    H    PHE  22           H        PHE  22  -0.027   4.333   0.705
  142    HA   PHE  22           HA       PHE  22   0.239   6.884  -0.611
  143    HB2  PHE  22           HB2      PHE  22  -1.658   6.414  -1.878
  144    HB3  PHE  22           HB3      PHE  22  -0.969   4.813  -1.577
  145    HD1  PHE  22           HD1      PHE  22  -3.571   7.309  -0.542
  146    HD2  PHE  22           HD2      PHE  22  -2.341   3.188  -0.284
  147    HE1  PHE  22           HE1      PHE  22  -5.763   6.717   0.432
  148    HE2  PHE  22           HE2      PHE  22  -4.577   2.593   0.620
  149    HZ   PHE  22           HZ       PHE  22  -6.263   4.358   1.034
  150    H    ILE  23           H        ILE  23  -1.784   5.597   2.162
  151    HA   ILE  23           HA       ILE  23  -3.365   7.916   2.317
  152    HB   ILE  23           HB       ILE  23  -3.212   5.545   3.904
  153   HG12  ILE  23          HG12      ILE  23  -5.255   6.538   3.033
  154   HG13  ILE  23          HG13      ILE  23  -5.363   6.078   4.741
  155   HG21  ILE  23          HG21      ILE  23  -2.880   7.941   5.797
  156   HG22  ILE  23          HG22      ILE  23  -3.317   6.276   6.254
  157   HG23  ILE  23          HG23      ILE  23  -1.713   6.617   5.563
  158   HD11  ILE  23          HD11      ILE  23  -4.923   8.995   3.790
  159   HD12  ILE  23          HD12      ILE  23  -6.490   8.279   4.243
  160   HD13  ILE  23          HD13      ILE  23  -5.210   8.449   5.466
  161    H    ASN  24           H        ASN  24  -0.069   7.307   3.625
  162    HA   ASN  24           HA       ASN  24  -0.100   9.971   4.935
  163    HB2  ASN  24           HB2      ASN  24   1.460   7.473   5.355
  164    HB3  ASN  24           HB3      ASN  24   2.536   8.836   5.121
  165   HD21  ASN  24          HD21      ASN  24   2.488  10.607   6.761
  166   HD22  ASN  24          HD22      ASN  24   1.672  10.353   8.257
  167    H    TRP  25           H        TRP  25   0.254   9.132   1.701
  168    HA   TRP  25           HA       TRP  25   2.454  11.039   1.234
  169    HB2  TRP  25           HB2      TRP  25   2.618   9.816  -0.679
  170    HB3  TRP  25           HB3      TRP  25   1.014   9.113  -0.488
  171    HD1  TRP  25           HD1      TRP  25   2.473  12.530  -1.679
  172    HE1  TRP  25           HE1      TRP  25   1.005  13.380  -3.546
  173    HE3  TRP  25           HE3      TRP  25  -1.195   8.858  -1.643
  174    HZ2  TRP  25           HZ2      TRP  25  -1.270  12.668  -4.908
  175    HZ3  TRP  25           HZ3      TRP  25  -3.021   9.035  -3.333
  176    HH2  TRP  25           HH2      TRP  25  -3.044  10.899  -4.964
  177    H    LEU  26           H        LEU  26  -1.186  10.887   0.955
  178    HA   LEU  26           HA       LEU  26  -1.552  13.313  -0.331
  179    HB2  LEU  26           HB2      LEU  26  -3.227  12.221   2.008
  180    HB3  LEU  26           HB3      LEU  26  -3.750  13.541   0.937
  181    HG   LEU  26           HG       LEU  26  -3.256  10.630  -0.004
  182   HD11  LEU  26          HD11      LEU  26  -5.889  12.121   0.513
  183   HD12  LEU  26          HD12      LEU  26  -5.217  10.813   1.531
  184   HD13  LEU  26          HD13      LEU  26  -5.718  10.467  -0.143
  185   HD21  LEU  26          HD21      LEU  26  -4.446  13.056  -1.492
  186   HD22  LEU  26          HD22      LEU  26  -4.427  11.375  -2.094
  187   HD23  LEU  26          HD23      LEU  26  -2.901  12.251  -1.879
  188    H    ILE  27           H        ILE  27  -1.038  12.807   3.234
  189    HA   ILE  27           HA       ILE  27  -1.395  15.573   3.823
  190    HB   ILE  27           HB       ILE  27  -0.298  15.237   5.973
  191   HG12  ILE  27          HG12      ILE  27   0.349  12.625   6.451
  192   HG13  ILE  27          HG13      ILE  27   0.760  12.674   4.734
  193   HG21  ILE  27          HG21      ILE  27  -2.683  14.538   5.646
  194   HG22  ILE  27          HG22      ILE  27  -2.147  12.863   5.330
  195   HG23  ILE  27          HG23      ILE  27  -1.860  13.609   6.922
  196   HD11  ILE  27          HD11      ILE  27   2.303  14.713   5.303
  197   HD12  ILE  27          HD12      ILE  27   1.903  14.417   7.008
  198   HD13  ILE  27          HD13      ILE  27   2.766  13.170   6.065
  199    H    GLN  28           H        GLN  28   1.545  13.810   2.647
  200    HA   GLN  28           HA       GLN  28   3.047  16.363   2.985
  201    HB2  GLN  28           HB2      GLN  28   5.095  15.074   2.411
  202    HB3  GLN  28           HB3      GLN  28   4.287  14.433   3.848
  203    HG2  GLN  28           HG2      GLN  28   3.551  12.500   2.667
  204    HG3  GLN  28           HG3      GLN  28   3.735  13.261   1.058
  205   HE21  GLN  28          HE21      GLN  28   5.313  11.836   0.062
  206   HE22  GLN  28          HE22      GLN  28   6.822  11.479   0.812
  207    H    THR  29           H        THR  29   0.873  16.171   0.838
  208    HA   THR  29           HA       THR  29   2.252  15.666  -1.613
  209    HB   THR  29           HB       THR  29  -0.173  17.469  -1.125
  210    HG1  THR  29           HG1      THR  29  -1.229  15.441  -1.813
  211   HG21  THR  29          HG21      THR  29   0.947  17.986  -3.337
  212   HG22  THR  29          HG22      THR  29  -0.582  17.109  -3.601
  213   HG23  THR  29          HG23      THR  29   0.974  16.239  -3.730
  214    H    LYS  30           H        LYS  30   1.609  18.839   0.197
  215    HA   LYS  30           HA       LYS  30   3.050  20.253  -1.845
  216    HB2  LYS  30           HB2      LYS  30   1.832  21.074   0.767
  217    HB3  LYS  30           HB3      LYS  30   3.342  21.922   0.430
  218    HG2  LYS  30           HG2      LYS  30   0.967  21.802  -1.505
  219    HG3  LYS  30           HG3      LYS  30   1.358  23.148  -0.420
  220    HD2  LYS  30           HD2      LYS  30   2.771  24.051  -2.009
  221    HD3  LYS  30           HD3      LYS  30   3.809  22.628  -1.877
  222    HE2  LYS  30           HE2      LYS  30   2.208  21.492  -3.638
  223    HE3  LYS  30           HE3      LYS  30   1.505  23.112  -3.846
  224    HZ1  LYS  30           HZ1      LYS  30   3.798  23.946  -4.420
  225    HZ2  LYS  30           HZ2      LYS  30   3.270  22.678  -5.499
  226    HZ3  LYS  30           HZ3      LYS  30   4.419  22.323  -4.249
  227    H    ILE  31           H        ILE  31   4.122  19.417   1.541
  228    HA   ILE  31           HA       ILE  31   6.621  20.522   1.158
  229    HB   ILE  31           HB       ILE  31   5.712  19.737   3.370
  230   HG12  ILE  31          HG12      ILE  31   7.842  18.988   4.418
  231   HG13  ILE  31          HG13      ILE  31   8.579  18.740   2.815
  232   HG21  ILE  31          HG21      ILE  31   5.933  17.392   4.090
  233   HG22  ILE  31          HG22      ILE  31   5.040  17.447   2.552
  234   HG23  ILE  31          HG23      ILE  31   6.758  16.953   2.568
  235   HD11  ILE  31          HD11      ILE  31   7.489  21.463   3.818
  236   HD12  ILE  31          HD12      ILE  31   9.188  20.940   3.994
  237   HD13  ILE  31          HD13      ILE  31   8.508  21.190   2.370
  238    H    THR  32           H        THR  32   5.601  17.161   0.144
  239    HA   THR  32           HA       THR  32   8.389  16.772  -0.884
  240    HB   THR  32           HB       THR  32   6.181  14.689  -0.439
  241    HG1  THR  32           HG1      THR  32   8.500  15.254   1.124
  242   HG21  THR  32          HG21      THR  32   8.036  13.066  -0.838
  243   HG22  THR  32          HG22      THR  32   9.147  14.401  -1.249
  244   HG23  THR  32          HG23      THR  32   7.740  14.049  -2.298
  245    H    ASP  33           H        ASP  33   4.921  16.074  -1.961
  246    HA   ASP  33           HA       ASP  33   4.005  16.200  -4.063
  247    HB2  ASP  33           HB2      ASP  33   5.107  18.620  -3.795
  248    HB3  ASP  33           HB3      ASP  33   6.269  18.039  -5.006
  Start of MODEL    4
    1    H1   HIS   1           H1       HIS   1   0.157 -14.075 -11.713
    2    HA   HIS   1           HA       HIS   1   2.352 -13.806 -10.567
    3    HB2  HIS   1           HB2      HIS   1   2.751 -11.629  -9.382
    4    HB3  HIS   1           HB3      HIS   1   2.595 -11.460 -11.148
    5    HD1  HIS   1           HD1      HIS   1   0.843 -10.586  -7.975
    6    HD2  HIS   1           HD2      HIS   1   0.371 -10.195 -12.134
    7    HE1  HIS   1           HE1      HIS   1  -1.006  -8.893  -8.293
    8    H    ALA   2           H        ALA   2   1.062 -15.622  -9.605
    9    HA   ALA   2           HA       ALA   2   0.112 -16.647  -7.770
   10    HB1  ALA   2           HB1      ALA   2   2.013 -15.530  -6.620
   11    HB2  ALA   2           HB2      ALA   2   0.991 -14.113  -6.258
   12    HB3  ALA   2           HB3      ALA   2   0.580 -15.704  -5.568
   13    H    ASP   3           H        ASP   3  -1.986 -16.375  -9.044
   14    HA   ASP   3           HA       ASP   3  -3.867 -14.640  -7.453
   15    HB2  ASP   3           HB2      ASP   3  -4.063 -15.751 -10.310
   16    HB3  ASP   3           HB3      ASP   3  -5.474 -15.161  -9.400
   17    H    GLY   4           H        GLY   4  -5.890 -15.675  -6.745
   18    HA2  GLY   4           HA2      GLY   4  -6.985 -18.006  -6.760
   19    HA3  GLY   4           HA3      GLY   4  -5.421 -18.580  -6.114
   20    H    SER   5           H        SER   5  -7.146 -19.156  -4.229
   21    HA   SER   5           HA       SER   5  -8.207 -16.938  -2.769
   22    HB2  SER   5           HB2      SER   5  -9.206 -19.131  -2.426
   23    HB3  SER   5           HB3      SER   5  -7.678 -19.808  -1.818
   24    HG   SER   5           HG       SER   5  -9.123 -17.714  -0.493
   25    H    PHE   6           H        PHE   6  -5.425 -19.105  -1.668
   26    HA   PHE   6           HA       PHE   6  -4.543 -16.903   0.066
   27    HB2  PHE   6           HB2      PHE   6  -3.698 -19.790  -0.243
   28    HB3  PHE   6           HB3      PHE   6  -2.394 -18.649   0.079
   29    HD1  PHE   6           HD2      PHE   6  -5.948 -19.243   1.240
   30    HD2  PHE   6           HD1      PHE   6  -1.920 -18.238   2.374
   31    HE1  PHE   6           HE2      PHE   6  -6.644 -19.085   3.611
   32    HE2  PHE   6           HE1      PHE   6  -2.618 -18.094   4.731
   33    HZ   PHE   6           HZ       PHE   6  -4.983 -18.503   5.360
   34    H    SER   7           H        SER   7  -3.374 -18.504  -3.005
   35    HA   SER   7           HA       SER   7  -1.023 -17.171  -3.369
   36    HB2  SER   7           HB2      SER   7  -3.246 -17.630  -5.397
   37    HB3  SER   7           HB3      SER   7  -1.589 -17.176  -5.882
   38    HG   SER   7           HG       SER   7  -0.907 -19.203  -4.831
   39    H    ASP   8           H        ASP   8  -4.320 -15.658  -4.091
   40    HA   ASP   8           HA       ASP   8  -3.144 -13.182  -4.925
   41    HB2  ASP   8           HB2      ASP   8  -5.542 -13.622  -5.367
   42    HB3  ASP   8           HB3      ASP   8  -5.886 -13.655  -3.614
   43    H    GLU   9           H        GLU   9  -4.376 -14.343  -1.671
   44    HA   GLU   9           HA       GLU   9  -3.534 -11.861  -0.418
   45    HB2  GLU   9           HB2      GLU   9  -4.328 -14.553   0.809
   46    HB3  GLU   9           HB3      GLU   9  -3.979 -13.102   1.774
   47    HG2  GLU   9           HG2      GLU   9  -5.834 -11.846   0.745
   48    HG3  GLU   9           HG3      GLU   9  -6.188 -13.194  -0.367
   49    H    MET  10           H        MET  10  -1.494 -14.332  -1.645
   50    HA   MET  10           HA       MET  10   0.254 -14.645   0.547
   51    HB2  MET  10           HB2      MET  10   0.326 -15.812  -1.793
   52    HB3  MET  10           HB3      MET  10   1.238 -14.388  -2.354
   53    HG2  MET  10           HG2      MET  10   1.990 -16.394  -0.106
   54    HG3  MET  10           HG3      MET  10   2.750 -16.269  -1.710
   55    HE1  MET  10           HE1      MET  10   4.148 -14.144   2.003
   56    HE2  MET  10           HE2      MET  10   2.452 -14.712   1.896
   57    HE3  MET  10           HE3      MET  10   3.802 -15.871   1.668
   58    H    ASN  11           H        ASN  11  -0.039 -12.041  -2.006
   59    HA   ASN  11           HA       ASN  11   2.221 -10.566  -0.894
   60    HB2  ASN  11           HB2      ASN  11   0.074  -9.646  -2.877
   61    HB3  ASN  11           HB3      ASN  11   1.636  -8.839  -2.558
   62   HD21  ASN  11          HD21      ASN  11   1.412  -9.314  -5.149
   63   HD22  ASN  11          HD22      ASN  11   2.253 -10.740  -5.635
   64    H    THR  12           H        THR  12  -0.855 -10.955   0.564
   65    HA   THR  12           HA       THR  12  -1.559  -8.326   1.195
   66    HB   THR  12           HB       THR  12  -1.624 -10.789   3.036
   67    HG1  THR  12           HG1      THR  12  -3.605  -9.831   1.195
   68   HG21  THR  12          HG21      THR  12  -3.278  -8.176   3.139
   69   HG22  THR  12          HG22      THR  12  -2.087  -8.709   4.366
   70   HG23  THR  12          HG23      THR  12  -3.589  -9.638   4.115
   71    H    ILE  13           H        ILE  13   1.233 -10.273   2.389
   72    HA   ILE  13           HA       ILE  13   1.923  -8.928   4.687
   73    HB   ILE  13           HB       ILE  13   3.907  -9.468   2.391
   74   HG12  ILE  13          HG12      ILE  13   3.002 -11.650   2.830
   75   HG13  ILE  13          HG13      ILE  13   4.540 -11.566   3.672
   76   HG21  ILE  13          HG21      ILE  13   4.888  -7.923   4.042
   77   HG22  ILE  13          HG22      ILE  13   4.408  -8.986   5.390
   78   HG23  ILE  13          HG23      ILE  13   5.652  -9.511   4.222
   79   HD11  ILE  13          HD11      ILE  13   2.890 -12.672   5.109
   80   HD12  ILE  13          HD12      ILE  13   3.285 -11.103   5.859
   81   HD13  ILE  13          HD13      ILE  13   1.747 -11.316   4.967
   82    H    LEU  14           H        LEU  14   2.410  -7.701   1.289
   83    HA   LEU  14           HA       LEU  14   3.591  -5.232   2.310
   84    HB2  LEU  14           HB2      LEU  14   2.499  -5.936  -0.463
   85    HB3  LEU  14           HB3      LEU  14   3.415  -4.458  -0.090
   86    HG   LEU  14           HG       LEU  14   4.574  -7.301   0.288
   87   HD11  LEU  14          HD11      LEU  14   4.952  -5.361  -2.072
   88   HD12  LEU  14          HD12      LEU  14   4.055  -6.909  -2.116
   89   HD13  LEU  14          HD13      LEU  14   5.815  -6.910  -1.841
   90   HD21  LEU  14          HD21      LEU  14   5.923  -4.525   0.260
   91   HD22  LEU  14          HD22      LEU  14   6.784  -6.089   0.299
   92   HD23  LEU  14          HD23      LEU  14   5.785  -5.605   1.680
   93    H    ASP  15           H        ASP  15   0.214  -6.242   1.444
   94    HA   ASP  15           HA       ASP  15  -0.903  -3.787   0.993
   95    HB2  ASP  15           HB2      ASP  15  -2.255  -5.904   1.068
   96    HB3  ASP  15           HB3      ASP  15  -2.135  -5.914   2.848
   97    H    ASN  16           H        ASN  16  -0.097  -5.103   4.321
   98    HA   ASN  16           HA       ASN  16  -1.297  -2.959   5.745
   99    HB2  ASN  16           HB2      ASN  16   1.049  -4.821   6.415
  100    HB3  ASN  16           HB3      ASN  16   0.816  -3.359   7.384
  101   HD21  ASN  16          HD21      ASN  16  -1.682  -5.746   6.017
  102   HD22  ASN  16          HD22      ASN  16  -2.382  -5.994   7.569
  103    H    LEU  17           H        LEU  17   1.940  -3.165   4.108
  104    HA   LEU  17           HA       LEU  17   2.738  -0.603   5.225
  105    HB2  LEU  17           HB2      LEU  17   3.981  -1.806   2.697
  106    HB3  LEU  17           HB3      LEU  17   4.686  -0.677   3.872
  107    HG   LEU  17           HG       LEU  17   4.174  -3.707   4.191
  108   HD11  LEU  17          HD11      LEU  17   6.256  -2.969   2.992
  109   HD12  LEU  17          HD12      LEU  17   6.602  -3.832   4.514
  110   HD13  LEU  17          HD13      LEU  17   6.739  -2.050   4.449
  111   HD21  LEU  17          HD21      LEU  17   3.495  -2.724   6.376
  112   HD22  LEU  17          HD22      LEU  17   4.990  -1.739   6.419
  113   HD23  LEU  17          HD23      LEU  17   5.074  -3.524   6.530
  114    H    ALA  18           H        ALA  18   1.621  -1.747   1.927
  115    HA   ALA  18           HA       ALA  18   1.762   0.741   0.679
  116    HB1  ALA  18           HB1      ALA  18  -0.349  -1.450   0.191
  117    HB2  ALA  18           HB2      ALA  18   0.052  -0.121  -0.937
  118    HB3  ALA  18           HB3      ALA  18   1.275  -1.374  -0.563
  119    H    ALA  19           H        ALA  19  -0.890  -0.639   2.759
  120    HA   ALA  19           HA       ALA  19  -2.919   1.145   2.194
  121    HB1  ALA  19           HB1      ALA  19  -3.684   0.864   4.568
  122    HB2  ALA  19           HB2      ALA  19  -3.196  -0.702   3.851
  123    HB3  ALA  19           HB3      ALA  19  -2.106   0.133   4.997
  124    H    ARG  20           H        ARG  20  -0.127   1.666   4.491
  125    HA   ARG  20           HA       ARG  20  -1.053   4.428   4.934
  126    HB2  ARG  20           HB2      ARG  20   1.038   2.671   6.235
  127    HB3  ARG  20           HB3      ARG  20   1.451   4.385   6.102
  128    HG2  ARG  20           HG2      ARG  20   0.339   3.952   8.242
  129    HG3  ARG  20           HG3      ARG  20  -0.581   5.087   7.242
  130    HD2  ARG  20           HD2      ARG  20  -2.458   3.739   7.645
  131    HD3  ARG  20           HD3      ARG  20  -1.740   2.587   6.552
  132    HE   ARG  20           HE       ARG  20  -1.269   1.180   8.301
  133   HH11  ARG  20          HH12      ARG  20  -1.686   4.516   9.630
  134   HH12  ARG  20          HH11      ARG  20  -1.623   3.930  11.285
  135   HH21  ARG  20          HH22      ARG  20  -1.193   0.549  10.458
  136   HH22  ARG  20          HH21      ARG  20  -1.344   1.742  11.751
  137    H    ASP  21           H        ASP  21   1.354   2.824   2.756
  138    HA   ASP  21           HA       ASP  21   2.916   5.060   2.239
  139    HB2  ASP  21           HB2      ASP  21   3.286   2.887   1.053
  140    HB3  ASP  21           HB3      ASP  21   1.797   3.142   0.104
  141    H    PHE  22           H        PHE  22  -0.375   4.269   0.777
  142    HA   PHE  22           HA       PHE  22  -0.286   6.737  -0.716
  143    HB2  PHE  22           HB2      PHE  22  -2.357   6.227  -1.651
  144    HB3  PHE  22           HB3      PHE  22  -1.632   4.634  -1.381
  145    HD1  PHE  22           HD2      PHE  22  -4.074   7.181  -0.119
  146    HD2  PHE  22           HD1      PHE  22  -2.750   3.095   0.235
  147    HE1  PHE  22           HE2      PHE  22  -6.107   6.634   1.177
  148    HE2  PHE  22           HE1      PHE  22  -4.813   2.550   1.501
  149    HZ   PHE  22           HZ       PHE  22  -6.470   4.320   2.006
  150    H    ILE  23           H        ILE  23  -1.849   5.667   2.411
  151    HA   ILE  23           HA       ILE  23  -3.409   7.999   2.612
  152    HB   ILE  23           HB       ILE  23  -3.027   5.741   4.331
  153   HG12  ILE  23          HG12      ILE  23  -5.186   6.681   3.652
  154   HG13  ILE  23          HG13      ILE  23  -5.080   6.337   5.389
  155   HG21  ILE  23          HG21      ILE  23  -1.356   6.926   5.699
  156   HG22  ILE  23          HG22      ILE  23  -2.490   8.272   5.976
  157   HG23  ILE  23          HG23      ILE  23  -2.856   6.646   6.614
  158   HD11  ILE  23          HD11      ILE  23  -4.852   8.736   5.938
  159   HD12  ILE  23          HD12      ILE  23  -4.768   9.176   4.208
  160   HD13  ILE  23          HD13      ILE  23  -6.269   8.496   4.889
  161    H    ASN  24           H        ASN  24   0.015   7.441   3.665
  162    HA   ASN  24           HA       ASN  24   0.152  10.247   4.610
  163    HB2  ASN  24           HB2      ASN  24   2.188   7.955   4.572
  164    HB3  ASN  24           HB3      ASN  24   2.648   9.608   5.003
  165   HD21  ASN  24          HD21      ASN  24   2.109   6.872   6.707
  166   HD22  ASN  24          HD22      ASN  24   1.369   7.590   8.088
  167    H    TRP  25           H        TRP  25   0.123   9.058   1.453
  168    HA   TRP  25           HA       TRP  25   2.168  10.991   0.544
  169    HB2  TRP  25           HB2      TRP  25   2.078   9.611  -1.277
  170    HB3  TRP  25           HB3      TRP  25   0.499   8.960  -0.842
  171    HD1  TRP  25           HD1      TRP  25   1.826  12.299  -2.377
  172    HE1  TRP  25           HE1      TRP  25   0.126  13.088  -4.065
  173    HE3  TRP  25           HE3      TRP  25  -1.818   8.666  -1.702
  174    HZ2  TRP  25           HZ2      TRP  25  -2.320  12.353  -5.070
  175    HZ3  TRP  25           HZ3      TRP  25  -3.854   8.794  -3.138
  176    HH2  TRP  25           HH2      TRP  25  -4.095  10.601  -4.814
  177    H    LEU  26           H        LEU  26  -1.466  10.752   0.824
  178    HA   LEU  26           HA       LEU  26  -2.116  13.100  -0.452
  179    HB2  LEU  26           HB2      LEU  26  -3.323  12.149   2.198
  180    HB3  LEU  26           HB3      LEU  26  -4.028  13.408   1.157
  181    HG   LEU  26           HG       LEU  26  -3.718  10.436   0.374
  182   HD11  LEU  26          HD11      LEU  26  -6.224  12.087   1.041
  183   HD12  LEU  26          HD12      LEU  26  -5.474  10.862   2.107
  184   HD13  LEU  26          HD13      LEU  26  -6.187  10.369   0.549
  185   HD21  LEU  26          HD21      LEU  26  -3.554  11.829  -1.691
  186   HD22  LEU  26          HD22      LEU  26  -4.972  12.788  -1.186
  187   HD23  LEU  26          HD23      LEU  26  -5.148  11.065  -1.621
  188    H    ILE  27           H        ILE  27  -0.886  12.807   2.963
  189    HA   ILE  27           HA       ILE  27  -1.195  15.625   3.403
  190    HB   ILE  27           HB       ILE  27   0.132  15.442   5.417
  191   HG12  ILE  27          HG12      ILE  27   0.878  12.890   6.015
  192   HG13  ILE  27          HG13      ILE  27   1.078  12.801   4.263
  193   HG21  ILE  27          HG21      ILE  27  -2.263  14.694   5.418
  194   HG22  ILE  27          HG22      ILE  27  -1.730  13.005   5.174
  195   HG23  ILE  27          HG23      ILE  27  -1.279  13.881   6.659
  196   HD11  ILE  27          HD11      ILE  27   3.223  13.413   5.304
  197   HD12  ILE  27          HD12      ILE  27   2.649  14.880   4.470
  198   HD13  ILE  27          HD13      ILE  27   2.459  14.735   6.231
  199    H    GLN  28           H        GLN  28   1.581  13.733   1.981
  200    HA   GLN  28           HA       GLN  28   3.096  16.299   1.961
  201    HB2  GLN  28           HB2      GLN  28   5.079  15.012   1.275
  202    HB3  GLN  28           HB3      GLN  28   4.432  14.416   2.810
  203    HG2  GLN  28           HG2      GLN  28   3.583  12.431   1.798
  204    HG3  GLN  28           HG3      GLN  28   3.668  13.085   0.139
  205   HE21  GLN  28          HE21      GLN  28   4.744  10.835  -0.131
  206   HE22  GLN  28          HE22      GLN  28   6.448  10.782   0.137
  207    H    THR  29           H        THR  29   0.763  16.167   0.146
  208    HA   THR  29           HA       THR  29   1.807  15.356  -2.439
  209    HB   THR  29           HB       THR  29  -0.633  17.072  -1.748
  210    HG1  THR  29           HG1      THR  29  -0.656  14.724  -1.252
  211   HG21  THR  29          HG21      THR  29  -1.301  16.643  -4.130
  212   HG22  THR  29          HG22      THR  29   0.306  15.929  -4.457
  213   HG23  THR  29          HG23      THR  29   0.159  17.668  -4.050
  214    H    LYS  30           H        LYS  30   1.255  18.636  -0.844
  215    HA   LYS  30           HA       LYS  30   2.331  19.957  -3.141
  216    HB2  LYS  30           HB2      LYS  30   0.803  21.056  -1.498
  217    HB3  LYS  30           HB3      LYS  30   2.073  20.985  -0.259
  218    HG2  LYS  30           HG2      LYS  30   1.909  23.241  -1.238
  219    HG3  LYS  30           HG3      LYS  30   3.515  22.529  -1.535
  220    HD2  LYS  30           HD2      LYS  30   2.614  23.820  -3.482
  221    HD3  LYS  30           HD3      LYS  30   2.976  22.136  -3.911
  222    HE2  LYS  30           HE2      LYS  30   0.559  21.559  -3.866
  223    HE3  LYS  30           HE3      LYS  30   0.146  23.157  -3.185
  224    HZ1  LYS  30           HZ1      LYS  30   1.410  22.709  -5.913
  225    HZ2  LYS  30           HZ2      LYS  30   0.880  24.236  -5.259
  226    HZ3  LYS  30           HZ3      LYS  30  -0.282  22.997  -5.629
  227    H    ILE  31           H        ILE  31   3.851  19.117   0.095
  228    HA   ILE  31           HA       ILE  31   6.275  20.392  -0.639
  229    HB   ILE  31           HB       ILE  31   5.619  19.867   1.731
  230   HG12  ILE  31          HG12      ILE  31   7.951  19.221   2.556
  231   HG13  ILE  31          HG13      ILE  31   8.443  18.992   0.861
  232   HG21  ILE  31          HG21      ILE  31   6.053  17.653   2.719
  233   HG22  ILE  31          HG22      ILE  31   4.978  17.444   1.324
  234   HG23  ILE  31          HG23      ILE  31   6.710  17.042   1.180
  235   HD11  ILE  31          HD11      ILE  31   9.092  21.237   1.859
  236   HD12  ILE  31          HD12      ILE  31   8.039  21.458   0.444
  237   HD13  ILE  31          HD13      ILE  31   7.367  21.627   2.094
  238    H    THR  32           H        THR  32   5.240  16.894  -1.038
  239    HA   THR  32           HA       THR  32   7.883  16.425  -2.391
  240    HB   THR  32           HB       THR  32   5.931  14.396  -1.204
  241    HG1  THR  32           HG1      THR  32   7.695  14.298   0.382
  242   HG21  THR  32          HG21      THR  32   8.735  14.041  -2.431
  243   HG22  THR  32          HG22      THR  32   7.205  13.471  -3.170
  244   HG23  THR  32          HG23      THR  32   7.770  12.765  -1.630
  245    H    ASP  33           H        ASP  33   4.344  15.424  -2.741
  246    HA   ASP  33           HA       ASP  33   3.098  15.170  -4.652
  247    HB2  ASP  33           HB2      ASP  33   4.321  17.470  -5.294
  248    HB3  ASP  33           HB3      ASP  33   5.236  16.453  -6.427
  Start of MODEL    5
    1    H1   HIS   1           H1       HIS   1  -4.981 -14.691 -14.158
    2    HA   HIS   1           HA       HIS   1  -2.918 -15.527 -15.258
    3    HB2  HIS   1           HB2      HIS   1  -2.024 -12.639 -14.681
    4    HB3  HIS   1           HB3      HIS   1  -0.912 -13.976 -15.087
    5    HD1  HIS   1           HD1      HIS   1  -0.206 -12.995 -17.280
    6    HD2  HIS   1           HD2      HIS   1  -4.361 -13.604 -16.989
    7    HE1  HIS   1           HE1      HIS   1  -1.115 -12.712 -19.620
    8    H    ALA   2           H        ALA   2  -2.373 -17.048 -13.562
    9    HA   ALA   2           HA       ALA   2  -1.692 -17.802 -11.482
   10    HB1  ALA   2           HB1      ALA   2   0.195 -16.576 -10.482
   11    HB2  ALA   2           HB2      ALA   2   0.375 -16.663 -12.261
   12    HB3  ALA   2           HB3      ALA   2  -0.141 -15.139 -11.488
   13    H    ASP   3           H        ASP   3  -4.124 -17.456 -10.957
   14    HA   ASP   3           HA       ASP   3  -4.353 -15.443  -8.716
   15    HB2  ASP   3           HB2      ASP   3  -6.520 -16.756 -10.474
   16    HB3  ASP   3           HB3      ASP   3  -6.818 -15.633  -9.122
   17    H    GLY   4           H        GLY   4  -5.852 -16.253  -6.893
   18    HA2  GLY   4           HA2      GLY   4  -6.474 -19.017  -6.673
   19    HA3  GLY   4           HA3      GLY   4  -4.900 -18.738  -5.870
   20    H    SER   5           H        SER   5  -7.121 -19.597  -4.282
   21    HA   SER   5           HA       SER   5  -8.633 -17.337  -3.349
   22    HB2  SER   5           HB2      SER   5  -9.531 -19.580  -3.019
   23    HB3  SER   5           HB3      SER   5  -8.168 -20.048  -1.979
   24    HG   SER   5           HG       SER   5 -10.019 -17.974  -1.305
   25    H    PHE   6           H        PHE   6  -6.013 -19.188  -1.533
   26    HA   PHE   6           HA       PHE   6  -5.553 -16.701   0.034
   27    HB2  PHE   6           HB2      PHE   6  -4.247 -18.052   1.557
   28    HB3  PHE   6           HB3      PHE   6  -5.813 -18.834   1.267
   29    HD1  PHE   6           HD1      PHE   6  -2.164 -18.912   0.413
   30    HD2  PHE   6           HD2      PHE   6  -5.886 -21.069   0.236
   31    HE1  PHE   6           HE1      PHE   6  -0.967 -20.920  -0.385
   32    HE2  PHE   6           HE2      PHE   6  -4.681 -23.075  -0.551
   33    HZ   PHE   6           HZ       PHE   6  -2.221 -23.006  -0.874
   34    H    SER   7           H        SER   7  -3.853 -18.777  -2.479
   35    HA   SER   7           HA       SER   7  -1.313 -17.657  -2.115
   36    HB2  SER   7           HB2      SER   7  -2.715 -18.410  -4.750
   37    HB3  SER   7           HB3      SER   7  -0.976 -18.036  -4.623
   38    HG   SER   7           HG       SER   7  -0.851 -19.895  -3.141
   39    H    ASP   8           H        ASP   8  -4.267 -16.168  -3.706
   40    HA   ASP   8           HA       ASP   8  -2.879 -13.927  -4.764
   41    HB2  ASP   8           HB2      ASP   8  -5.294 -14.266  -5.229
   42    HB3  ASP   8           HB3      ASP   8  -5.692 -14.016  -3.506
   43    H    GLU   9           H        GLU   9  -4.173 -14.573  -1.396
   44    HA   GLU   9           HA       GLU   9  -3.341 -11.989  -0.458
   45    HB2  GLU   9           HB2      GLU   9  -3.957 -14.559   1.125
   46    HB3  GLU   9           HB3      GLU   9  -3.630 -12.977   1.871
   47    HG2  GLU   9           HG2      GLU   9  -5.583 -11.968   0.702
   48    HG3  GLU   9           HG3      GLU   9  -5.956 -13.535  -0.073
   49    H    MET  10           H        MET  10  -1.238 -14.582  -1.406
   50    HA   MET  10           HA       MET  10   0.701 -14.520   0.584
   51    HB2  MET  10           HB2      MET  10   0.845 -15.823  -1.629
   52    HB3  MET  10           HB3      MET  10   1.209 -14.285  -2.436
   53    HG2  MET  10           HG2      MET  10   3.436 -14.848  -2.065
   54    HG3  MET  10           HG3      MET  10   3.183 -14.377  -0.370
   55    HE1  MET  10           HE1      MET  10   1.214 -16.980   0.657
   56    HE2  MET  10           HE2      MET  10   2.568 -17.968   1.284
   57    HE3  MET  10           HE3      MET  10   2.559 -16.197   1.561
   58    H    ASN  11           H        ASN  11   0.013 -12.004  -1.996
   59    HA   ASN  11           HA       ASN  11   2.260 -10.363  -1.006
   60    HB2  ASN  11           HB2      ASN  11   0.134  -9.764  -3.128
   61    HB3  ASN  11           HB3      ASN  11   1.618  -8.819  -2.824
   62   HD21  ASN  11          HD21      ASN  11   1.481  -9.569  -5.378
   63   HD22  ASN  11          HD22      ASN  11   2.478 -10.940  -5.695
   64    H    THR  12           H        THR  12  -0.673 -10.846   0.549
   65    HA   THR  12           HA       THR  12  -1.597  -8.206   0.912
   66    HB   THR  12           HB       THR  12  -1.515 -10.524   2.936
   67    HG1  THR  12           HG1      THR  12  -3.543  -9.828   1.029
   68   HG21  THR  12          HG21      THR  12  -2.099  -8.381   4.108
   69   HG22  THR  12          HG22      THR  12  -3.538  -9.425   3.945
   70   HG23  THR  12          HG23      THR  12  -3.329  -8.027   2.853
   71    H    ILE  13           H        ILE  13   1.328  -9.885   2.210
   72    HA   ILE  13           HA       ILE  13   1.949  -8.318   4.390
   73    HB   ILE  13           HB       ILE  13   3.939  -8.958   2.118
   74   HG12  ILE  13          HG12      ILE  13   3.147 -11.137   2.816
   75   HG13  ILE  13          HG13      ILE  13   4.719 -10.872   3.554
   76   HG21  ILE  13          HG21      ILE  13   5.707  -8.711   3.907
   77   HG22  ILE  13          HG22      ILE  13   4.858  -7.196   3.567
   78   HG23  ILE  13          HG23      ILE  13   4.454  -8.122   5.033
   79   HD11  ILE  13          HD11      ILE  13   1.981 -10.647   4.971
   80   HD12  ILE  13          HD12      ILE  13   3.208 -11.917   5.181
   81   HD13  ILE  13          HD13      ILE  13   3.547 -10.263   5.751
   82    H    LEU  14           H        LEU  14   2.406  -7.402   0.891
   83    HA   LEU  14           HA       LEU  14   3.489  -4.829   1.596
   84    HB2  LEU  14           HB2      LEU  14   2.156  -5.820  -0.975
   85    HB3  LEU  14           HB3      LEU  14   2.940  -4.234  -0.846
   86    HG   LEU  14           HG       LEU  14   4.519  -6.793  -0.167
   87   HD11  LEU  14          HD11      LEU  14   4.215  -5.535  -2.958
   88   HD12  LEU  14          HD12      LEU  14   3.624  -7.148  -2.459
   89   HD13  LEU  14          HD13      LEU  14   5.374  -6.825  -2.520
   90   HD21  LEU  14          HD21      LEU  14   6.491  -5.391  -0.766
   91   HD22  LEU  14          HD22      LEU  14   5.550  -4.584   0.503
   92   HD23  LEU  14          HD23      LEU  14   5.421  -4.025  -1.185
   93    H    ASP  15           H        ASP  15   0.092  -5.998   0.850
   94    HA   ASP  15           HA       ASP  15  -1.124  -3.587   0.474
   95    HB2  ASP  15           HB2      ASP  15  -2.346  -5.784   0.499
   96    HB3  ASP  15           HB3      ASP  15  -2.286  -5.782   2.283
   97    H    ASN  16           H        ASN  16  -0.098  -4.857   3.767
   98    HA   ASN  16           HA       ASN  16  -1.551  -2.799   5.165
   99    HB2  ASN  16           HB2      ASN  16   0.710  -4.668   6.026
  100    HB3  ASN  16           HB3      ASN  16   0.338  -3.226   6.987
  101   HD21  ASN  16          HD21      ASN  16  -1.834  -5.695   5.264
  102   HD22  ASN  16          HD22      ASN  16  -2.751  -5.988   6.691
  103    H    LEU  17           H        LEU  17   2.095  -2.992   4.813
  104    HA   LEU  17           HA       LEU  17   2.407  -0.287   5.502
  105    HB2  LEU  17           HB2      LEU  17   4.710  -0.423   4.634
  106    HB3  LEU  17           HB3      LEU  17   4.244  -1.882   5.522
  107    HG   LEU  17           HG       LEU  17   3.640  -2.798   3.027
  108   HD11  LEU  17          HD11      LEU  17   5.909  -0.808   2.423
  109   HD12  LEU  17          HD12      LEU  17   4.241  -0.593   1.847
  110   HD13  LEU  17          HD13      LEU  17   5.193  -1.982   1.286
  111   HD21  LEU  17          HD21      LEU  17   5.256  -3.902   4.546
  112   HD22  LEU  17          HD22      LEU  17   6.487  -2.668   4.148
  113   HD23  LEU  17          HD23      LEU  17   5.920  -3.815   2.900
  114    H    ALA  18           H        ALA  18   1.542  -1.658   2.297
  115    HA   ALA  18           HA       ALA  18   2.226   0.735   0.856
  116    HB1  ALA  18           HB1      ALA  18   0.237  -1.487   0.093
  117    HB2  ALA  18           HB2      ALA  18   0.923  -0.253  -0.998
  118    HB3  ALA  18           HB3      ALA  18   1.992  -1.485  -0.274
  119    H    ALA  19           H        ALA  19  -0.848  -0.504   2.418
  120    HA   ALA  19           HA       ALA  19  -2.592   1.436   1.420
  121    HB1  ALA  19           HB1      ALA  19  -3.373  -0.388   2.956
  122    HB2  ALA  19           HB2      ALA  19  -2.497   0.365   4.322
  123    HB3  ALA  19           HB3      ALA  19  -3.878   1.213   3.570
  124    H    ARG  20           H        ARG  20  -0.229   1.673   4.201
  125    HA   ARG  20           HA       ARG  20  -1.041   4.440   4.714
  126    HB2  ARG  20           HB2      ARG  20   1.447   2.973   5.749
  127    HB3  ARG  20           HB3      ARG  20   0.757   4.500   6.352
  128    HG2  ARG  20           HG2      ARG  20  -0.446   1.662   6.620
  129    HG3  ARG  20           HG3      ARG  20   0.104   2.767   7.898
  130    HD2  ARG  20           HD2      ARG  20  -1.769   4.369   7.190
  131    HD3  ARG  20           HD3      ARG  20  -2.366   3.063   6.094
  132    HE   ARG  20           HE       ARG  20  -2.095   1.980   8.715
  133   HH11  ARG  20          HH12      ARG  20  -4.120   4.360   6.908
  134   HH12  ARG  20          HH11      ARG  20  -5.505   4.074   7.954
  135   HH21  ARG  20          HH22      ARG  20  -3.923   1.699   9.998
  136   HH22  ARG  20          HH21      ARG  20  -5.402   2.605   9.666
  137    H    ASP  21           H        ASP  21   1.577   2.842   2.753
  138    HA   ASP  21           HA       ASP  21   3.183   5.083   2.404
  139    HB2  ASP  21           HB2      ASP  21   3.649   2.893   1.260
  140    HB3  ASP  21           HB3      ASP  21   2.274   3.174   0.155
  141    H    PHE  22           H        PHE  22  -0.063   4.360   0.862
  142    HA   PHE  22           HA       PHE  22   0.187   6.806  -0.730
  143    HB2  PHE  22           HB2      PHE  22  -2.429   5.293  -0.527
  144    HB3  PHE  22           HB3      PHE  22  -1.751   6.175  -1.903
  145    HD1  PHE  22           HD1      PHE  22   0.850   5.155  -2.457
  146    HD2  PHE  22           HD2      PHE  22  -2.490   2.953  -0.859
  147    HE1  PHE  22           HE1      PHE  22   1.789   3.056  -3.364
  148    HE2  PHE  22           HE2      PHE  22  -1.568   0.871  -1.806
  149    HZ   PHE  22           HZ       PHE  22   0.528   0.931  -3.142
  150    H    ILE  23           H        ILE  23  -2.068   5.570   1.905
  151    HA   ILE  23           HA       ILE  23  -3.561   7.963   2.033
  152    HB   ILE  23           HB       ILE  23  -2.959   5.778   4.082
  153   HG12  ILE  23          HG12      ILE  23  -4.587   5.424   2.132
  154   HG13  ILE  23          HG13      ILE  23  -5.197   5.044   3.757
  155   HG21  ILE  23          HG21      ILE  23  -4.548   8.306   4.720
  156   HG22  ILE  23          HG22      ILE  23  -4.651   6.785   5.662
  157   HG23  ILE  23          HG23      ILE  23  -3.113   7.670   5.570
  158   HD11  ILE  23          HD11      ILE  23  -6.898   6.243   2.351
  159   HD12  ILE  23          HD12      ILE  23  -6.523   7.135   3.840
  160   HD13  ILE  23          HD13      ILE  23  -5.859   7.685   2.277
  161    H    ASN  24           H        ASN  24  -0.497   7.104   3.795
  162    HA   ASN  24           HA       ASN  24  -0.587   9.771   5.033
  163    HB2  ASN  24           HB2      ASN  24   0.537   7.322   5.896
  164    HB3  ASN  24           HB3      ASN  24   1.954   8.223   5.332
  165   HD21  ASN  24          HD21      ASN  24   2.678   8.224   7.664
  166   HD22  ASN  24          HD22      ASN  24   1.862   9.213   8.816
  167    H    TRP  25           H        TRP  25   0.189   8.960   1.887
  168    HA   TRP  25           HA       TRP  25   2.403  10.908   1.707
  169    HB2  TRP  25           HB2      TRP  25   2.827   9.576  -0.119
  170    HB3  TRP  25           HB3      TRP  25   1.179   8.957  -0.209
  171    HD1  TRP  25           HD1      TRP  25   2.972  12.284  -1.150
  172    HE1  TRP  25           HE1      TRP  25   1.875  13.174  -3.236
  173    HE3  TRP  25           HE3      TRP  25  -0.826   8.778  -1.720
  174    HZ2  TRP  25           HZ2      TRP  25  -0.193  12.578  -4.931
  175    HZ3  TRP  25           HZ3      TRP  25  -2.313   9.012  -3.701
  176    HH2  TRP  25           HH2      TRP  25  -2.004  10.883  -5.292
  177    H    LEU  26           H        LEU  26  -1.151  10.663   0.901
  178    HA   LEU  26           HA       LEU  26  -1.461  13.051  -0.435
  179    HB2  LEU  26           HB2      LEU  26  -3.310  11.999   1.763
  180    HB3  LEU  26           HB3      LEU  26  -3.745  13.283   0.612
  181    HG   LEU  26           HG       LEU  26  -3.149  10.349  -0.180
  182   HD11  LEU  26          HD11      LEU  26  -5.808  11.884  -0.066
  183   HD12  LEU  26          HD12      LEU  26  -5.295  10.621   1.089
  184   HD13  LEU  26          HD13      LEU  26  -5.581  10.201  -0.618
  185   HD21  LEU  26          HD21      LEU  26  -4.092  12.726  -1.897
  186   HD22  LEU  26          HD22      LEU  26  -4.051  11.022  -2.427
  187   HD23  LEU  26          HD23      LEU  26  -2.538  11.867  -2.071
  188    H    ILE  27           H        ILE  27  -1.185  12.642   3.159
  189    HA   ILE  27           HA       ILE  27  -1.629  15.440   3.629
  190    HB   ILE  27           HB       ILE  27  -0.885  15.114   5.918
  191   HG12  ILE  27          HG12      ILE  27  -0.314  12.492   6.495
  192   HG13  ILE  27          HG13      ILE  27   0.388  12.562   4.876
  193   HG21  ILE  27          HG21      ILE  27  -2.610  12.723   5.037
  194   HG22  ILE  27          HG22      ILE  27  -2.569  13.495   6.642
  195   HG23  ILE  27          HG23      ILE  27  -3.191  14.401   5.242
  196   HD11  ILE  27          HD11      ILE  27   1.100  14.299   7.319
  197   HD12  ILE  27          HD12      ILE  27   2.127  13.077   6.519
  198   HD13  ILE  27          HD13      ILE  27   1.761  14.621   5.700
  199    H    GLN  28           H        GLN  28   1.420  13.639   2.862
  200    HA   GLN  28           HA       GLN  28   2.901  16.199   3.372
  201    HB2  GLN  28           HB2      GLN  28   4.986  14.855   3.302
  202    HB3  GLN  28           HB3      GLN  28   3.912  14.333   4.605
  203    HG2  GLN  28           HG2      GLN  28   3.320  12.321   3.423
  204    HG3  GLN  28           HG3      GLN  28   3.904  12.944   1.853
  205   HE21  GLN  28          HE21      GLN  28   5.092  10.804   1.750
  206   HE22  GLN  28          HE22      GLN  28   6.579  10.676   2.614
  207    H    THR  29           H        THR  29   1.211  16.083   0.995
  208    HA   THR  29           HA       THR  29   3.033  15.336  -1.205
  209    HB   THR  29           HB       THR  29   0.260  16.627  -1.192
  210    HG1  THR  29           HG1      THR  29   0.514  14.290  -0.710
  211   HG21  THR  29          HG21      THR  29   2.055  15.797  -3.564
  212   HG22  THR  29          HG22      THR  29   1.503  17.460  -3.202
  213   HG23  THR  29          HG23      THR  29   0.319  16.206  -3.670
  214    H    LYS  30           H        LYS  30   1.494  18.472  -0.050
  215    HA   LYS  30           HA       LYS  30   3.365  19.918  -1.757
  216    HB2  LYS  30           HB2      LYS  30   1.016  20.633  -1.488
  217    HB3  LYS  30           HB3      LYS  30   1.274  20.901   0.251
  218    HG2  LYS  30           HG2      LYS  30   1.275  23.031  -1.031
  219    HG3  LYS  30           HG3      LYS  30   2.792  22.768  -0.157
  220    HD2  LYS  30           HD2      LYS  30   3.158  23.746  -2.414
  221    HD3  LYS  30           HD3      LYS  30   3.995  22.199  -2.232
  222    HE2  LYS  30           HE2      LYS  30   2.998  22.409  -4.465
  223    HE3  LYS  30           HE3      LYS  30   2.245  21.051  -3.610
  224    HZ1  LYS  30           HZ1      LYS  30   1.024  23.831  -3.837
  225    HZ2  LYS  30           HZ2      LYS  30   0.243  22.410  -3.183
  226    HZ3  LYS  30           HZ3      LYS  30   0.634  22.488  -4.864
  227    H    ILE  31           H        ILE  31   3.397  18.878   1.706
  228    HA   ILE  31           HA       ILE  31   4.974  21.002   2.614
  229    HB   ILE  31           HB       ILE  31   3.977  19.135   4.079
  230   HG12  ILE  31          HG12      ILE  31   6.012  19.103   5.722
  231   HG13  ILE  31          HG13      ILE  31   6.864  20.096   4.522
  232   HG21  ILE  31          HG21      ILE  31   5.249  17.108   4.506
  233   HG22  ILE  31          HG22      ILE  31   4.991  17.211   2.745
  234   HG23  ILE  31          HG23      ILE  31   6.580  17.633   3.445
  235   HD11  ILE  31          HD11      ILE  31   5.015  21.867   4.792
  236   HD12  ILE  31          HD12      ILE  31   4.210  20.785   5.963
  237   HD13  ILE  31          HD13      ILE  31   5.814  21.473   6.332
  238    H    THR  32           H        THR  32   5.972  18.005   0.783
  239    HA   THR  32           HA       THR  32   8.786  19.016   0.853
  240    HB   THR  32           HB       THR  32   7.704  16.281   0.003
  241    HG1  THR  32           HG1      THR  32   8.584  15.717   2.130
  242   HG21  THR  32          HG21      THR  32  10.127  15.615   0.112
  243   HG22  THR  32          HG22      THR  32  10.585  17.290   0.532
  244   HG23  THR  32          HG23      THR  32   9.918  16.920  -1.088
  245    H    ASP  33           H        ASP  33   6.316  17.608  -1.532
  246    HA   ASP  33           HA       ASP  33   6.199  17.883  -3.815
  247    HB2  ASP  33           HB2      ASP  33   5.521  20.171  -3.037
  248    HB3  ASP  33           HB3      ASP  33   7.211  20.716  -3.146
  Start of MODEL    6
    1    H1   HIS   1           H1       HIS   1   4.479 -18.162  -8.908
    2    HA   HIS   1           HA       HIS   1   2.906 -15.852  -9.928
    3    HB2  HIS   1           HB2      HIS   1   2.629 -18.832 -10.686
    4    HB3  HIS   1           HB3      HIS   1   1.443 -17.567 -11.097
    5    HD1  HIS   1           HD1      HIS   1   1.825 -17.837 -13.571
    6    HD2  HIS   1           HD2      HIS   1   5.304 -16.759 -11.455
    7    HE1  HIS   1           HE1      HIS   1   3.516 -17.132 -15.310
    8    H    ALA   2           H        ALA   2   0.541 -15.855  -9.205
    9    HA   ALA   2           HA       ALA   2  -0.172 -17.646  -6.991
   10    HB1  ALA   2           HB1      ALA   2   0.768 -14.750  -6.449
   11    HB2  ALA   2           HB2      ALA   2  -0.076 -15.793  -5.268
   12    HB3  ALA   2           HB3      ALA   2   1.548 -16.239  -5.848
   13    H    ASP   3           H        ASP   3  -2.042 -17.764  -8.589
   14    HA   ASP   3           HA       ASP   3  -3.916 -15.432  -8.143
   15    HB2  ASP   3           HB2      ASP   3  -3.567 -17.161 -10.669
   16    HB3  ASP   3           HB3      ASP   3  -4.747 -15.841 -10.440
   17    H    GLY   4           H        GLY   4  -4.053 -17.055  -6.156
   18    HA2  GLY   4           HA2      GLY   4  -6.325 -18.938  -6.803
   19    HA3  GLY   4           HA3      GLY   4  -4.985 -19.384  -5.712
   20    H    SER   5           H        SER   5  -7.158 -19.615  -4.291
   21    HA   SER   5           HA       SER   5  -8.473 -17.179  -3.568
   22    HB2  SER   5           HB2      SER   5  -9.605 -19.294  -3.196
   23    HB3  SER   5           HB3      SER   5  -8.362 -19.839  -2.040
   24    HG   SER   5           HG       SER   5 -10.200 -18.804  -0.933
   25    H    PHE   6           H        PHE   6  -6.209 -19.145  -1.418
   26    HA   PHE   6           HA       PHE   6  -5.658 -16.657   0.070
   27    HB2  PHE   6           HB2      PHE   6  -4.367 -18.017   1.603
   28    HB3  PHE   6           HB3      PHE   6  -5.915 -18.830   1.290
   29    HD1  PHE   6           HD1      PHE   6  -2.246 -18.817   0.503
   30    HD2  PHE   6           HD2      PHE   6  -5.912 -21.060   0.227
   31    HE1  PHE   6           HE1      PHE   6  -0.988 -20.777  -0.317
   32    HE2  PHE   6           HE2      PHE   6  -4.646 -23.019  -0.584
   33    HZ   PHE   6           HZ       PHE   6  -2.183 -22.884  -0.868
   34    H    SER   7           H        SER   7  -4.034 -18.758  -2.438
   35    HA   SER   7           HA       SER   7  -1.426 -17.808  -2.019
   36    HB2  SER   7           HB2      SER   7  -2.784 -18.558  -4.669
   37    HB3  SER   7           HB3      SER   7  -1.047 -18.185  -4.500
   38    HG   SER   7           HG       SER   7  -2.318 -20.347  -3.118
   39    H    ASP   8           H        ASP   8  -4.225 -16.168  -3.745
   40    HA   ASP   8           HA       ASP   8  -2.585 -14.077  -4.768
   41    HB2  ASP   8           HB2      ASP   8  -4.989 -14.418  -5.457
   42    HB3  ASP   8           HB3      ASP   8  -5.522 -13.838  -3.854
   43    H    GLU   9           H        GLU   9  -4.179 -14.532  -1.509
   44    HA   GLU   9           HA       GLU   9  -3.368 -11.940  -0.565
   45    HB2  GLU   9           HB2      GLU   9  -4.042 -14.499   1.005
   46    HB3  GLU   9           HB3      GLU   9  -3.720 -12.933   1.776
   47    HG2  GLU   9           HG2      GLU   9  -5.632 -11.872   0.620
   48    HG3  GLU   9           HG3      GLU   9  -5.989 -13.379  -0.263
   49    H    MET  10           H        MET  10  -1.272 -14.616  -1.358
   50    HA   MET  10           HA       MET  10   0.636 -14.454   0.659
   51    HB2  MET  10           HB2      MET  10   0.787 -15.889  -1.424
   52    HB3  MET  10           HB3      MET  10   1.166 -14.441  -2.376
   53    HG2  MET  10           HG2      MET  10   3.414 -14.674  -1.834
   54    HG3  MET  10           HG3      MET  10   3.059 -14.583  -0.094
   55    HE1  MET  10           HE1      MET  10   2.907 -16.655   1.532
   56    HE2  MET  10           HE2      MET  10   1.362 -17.048   0.708
   57    HE3  MET  10           HE3      MET  10   2.598 -18.321   0.949
   58    H    ASN  11           H        ASN  11  -0.144 -12.013  -1.932
   59    HA   ASN  11           HA       ASN  11   2.211 -10.406  -1.231
   60    HB2  ASN  11           HB2      ASN  11  -0.167  -9.616  -2.990
   61    HB3  ASN  11           HB3      ASN  11   1.444  -8.868  -2.963
   62   HD21  ASN  11          HD21      ASN  11  -0.462 -11.547  -4.368
   63   HD22  ASN  11          HD22      ASN  11   0.865 -12.268  -5.194
   64    H    THR  12           H        THR  12  -0.770 -10.783   0.461
   65    HA   THR  12           HA       THR  12  -1.553  -8.153   0.917
   66    HB   THR  12           HB       THR  12  -1.488 -10.481   2.924
   67    HG1  THR  12           HG1      THR  12  -3.504  -9.781   1.003
   68   HG21  THR  12          HG21      THR  12  -3.306  -7.987   2.836
   69   HG22  THR  12          HG22      THR  12  -2.082  -8.338   4.097
   70   HG23  THR  12          HG23      THR  12  -3.516  -9.384   3.927
   71    H    ILE  13           H        ILE  13   1.373  -9.850   2.194
   72    HA   ILE  13           HA       ILE  13   1.974  -8.292   4.398
   73    HB   ILE  13           HB       ILE  13   3.976  -8.928   2.135
   74   HG12  ILE  13          HG12      ILE  13   3.187 -11.104   2.841
   75   HG13  ILE  13          HG13      ILE  13   4.754 -10.835   3.592
   76   HG21  ILE  13          HG21      ILE  13   4.483  -8.077   5.047
   77   HG22  ILE  13          HG22      ILE  13   5.742  -8.668   3.927
   78   HG23  ILE  13          HG23      ILE  13   4.890  -7.157   3.577
   79   HD11  ILE  13          HD11      ILE  13   3.238 -11.867   5.218
   80   HD12  ILE  13          HD12      ILE  13   3.551 -10.202   5.773
   81   HD13  ILE  13          HD13      ILE  13   1.999 -10.615   4.978
   82    H    LEU  14           H        LEU  14   2.426  -7.363   0.902
   83    HA   LEU  14           HA       LEU  14   3.510  -4.793   1.635
   84    HB2  LEU  14           HB2      LEU  14   2.224  -5.764  -0.964
   85    HB3  LEU  14           HB3      LEU  14   3.034  -4.192  -0.813
   86    HG   LEU  14           HG       LEU  14   4.556  -6.780  -0.108
   87   HD11  LEU  14          HD11      LEU  14   3.715  -7.118  -2.425
   88   HD12  LEU  14          HD12      LEU  14   5.472  -6.815  -2.433
   89   HD13  LEU  14          HD13      LEU  14   4.340  -5.508  -2.895
   90   HD21  LEU  14          HD21      LEU  14   6.568  -5.420  -0.611
   91   HD22  LEU  14          HD22      LEU  14   5.587  -4.554   0.585
   92   HD23  LEU  14          HD23      LEU  14   5.555  -4.042  -1.121
   93    H    ASP  15           H        ASP  15   0.123  -5.966   0.863
   94    HA   ASP  15           HA       ASP  15  -1.087  -3.545   0.491
   95    HB2  ASP  15           HB2      ASP  15  -2.335  -5.722   0.480
   96    HB3  ASP  15           HB3      ASP  15  -2.236  -5.774   2.264
   97    H    ASN  16           H        ASN  16  -0.055  -4.830   3.776
   98    HA   ASN  16           HA       ASN  16  -1.516  -2.777   5.181
   99    HB2  ASN  16           HB2      ASN  16   0.742  -4.653   6.040
  100    HB3  ASN  16           HB3      ASN  16   0.376  -3.209   7.002
  101   HD21  ASN  16          HD21      ASN  16  -1.808  -5.664   5.273
  102   HD22  ASN  16          HD22      ASN  16  -2.728  -5.956   6.700
  103    H    LEU  17           H        LEU  17   2.132  -2.974   4.812
  104    HA   LEU  17           HA       LEU  17   2.441  -0.270   5.522
  105    HB2  LEU  17           HB2      LEU  17   4.743  -0.395   4.663
  106    HB3  LEU  17           HB3      LEU  17   4.273  -1.864   5.532
  107    HG   LEU  17           HG       LEU  17   3.686  -2.746   3.018
  108   HD11  LEU  17          HD11      LEU  17   4.287  -0.513   1.885
  109   HD12  LEU  17          HD12      LEU  17   5.225  -1.898   1.289
  110   HD13  LEU  17          HD13      LEU  17   5.957  -0.751   2.446
  111   HD21  LEU  17          HD21      LEU  17   5.299  -3.868   4.518
  112   HD22  LEU  17          HD22      LEU  17   6.527  -2.617   4.161
  113   HD23  LEU  17          HD23      LEU  17   5.987  -3.742   2.884
  114    H    ALA  18           H        ALA  18   1.583  -1.637   2.311
  115    HA   ALA  18           HA       ALA  18   2.269   0.762   0.881
  116    HB1  ALA  18           HB1      ALA  18   0.311  -1.473   0.083
  117    HB2  ALA  18           HB2      ALA  18   1.008  -0.232  -0.996
  118    HB3  ALA  18           HB3      ALA  18   2.074  -1.459  -0.253
  119    H    ALA  19           H        ALA  19  -0.802  -0.504   2.426
  120    HA   ALA  19           HA       ALA  19  -2.567   1.400   1.402
  121    HB1  ALA  19           HB1      ALA  19  -3.340  -0.399   2.969
  122    HB2  ALA  19           HB2      ALA  19  -2.459   0.372   4.322
  123    HB3  ALA  19           HB3      ALA  19  -3.845   1.210   3.566
  124    H    ARG  20           H        ARG  20  -0.225   1.706   4.206
  125    HA   ARG  20           HA       ARG  20  -1.044   4.478   4.609
  126    HB2  ARG  20           HB2      ARG  20   1.415   3.017   5.733
  127    HB3  ARG  20           HB3      ARG  20   0.802   4.614   6.234
  128    HG2  ARG  20           HG2      ARG  20  -0.587   1.887   6.664
  129    HG3  ARG  20           HG3      ARG  20   0.082   2.983   7.881
  130    HD2  ARG  20           HD2      ARG  20  -1.781   4.734   6.873
  131    HD3  ARG  20           HD3      ARG  20  -2.464   3.259   6.212
  132    HE   ARG  20           HE       ARG  20  -3.192   2.628   8.314
  133   HH11  ARG  20          HH12      ARG  20  -0.643   5.174   8.725
  134   HH12  ARG  20          HH11      ARG  20  -1.015   5.348  10.431
  135   HH21  ARG  20          HH22      ARG  20  -3.550   2.929  10.510
  136   HH22  ARG  20          HH21      ARG  20  -2.604   4.104  11.426
  137    H    ASP  21           H        ASP  21   1.642   2.853   2.758
  138    HA   ASP  21           HA       ASP  21   3.231   5.076   2.367
  139    HB2  ASP  21           HB2      ASP  21   3.714   2.902   1.218
  140    HB3  ASP  21           HB3      ASP  21   2.300   3.146   0.150
  141    H    PHE  22           H        PHE  22  -0.020   4.377   0.841
  142    HA   PHE  22           HA       PHE  22   0.239   6.827  -0.750
  143    HB2  PHE  22           HB2      PHE  22  -2.381   5.332  -0.590
  144    HB3  PHE  22           HB3      PHE  22  -1.659   6.191  -1.955
  145    HD1  PHE  22           HD1      PHE  22   0.949   5.132  -2.426
  146    HD2  PHE  22           HD2      PHE  22  -2.462   2.987  -0.901
  147    HE1  PHE  22           HE1      PHE  22   1.865   3.019  -3.324
  148    HE2  PHE  22           HE2      PHE  22  -1.555   0.889  -1.830
  149    HZ   PHE  22           HZ       PHE  22   0.561   0.917  -3.136
  150    H    ILE  23           H        ILE  23  -2.083   5.552   1.810
  151    HA   ILE  23           HA       ILE  23  -3.582   7.922   1.956
  152    HB   ILE  23           HB       ILE  23  -2.979   5.733   3.997
  153   HG12  ILE  23          HG12      ILE  23  -4.557   5.347   2.017
  154   HG13  ILE  23          HG13      ILE  23  -5.189   4.947   3.628
  155   HG21  ILE  23          HG21      ILE  23  -4.639   8.218   4.622
  156   HG22  ILE  23          HG22      ILE  23  -4.720   6.688   5.552
  157   HG23  ILE  23          HG23      ILE  23  -3.203   7.613   5.492
  158   HD11  ILE  23          HD11      ILE  23  -6.565   7.008   3.690
  159   HD12  ILE  23          HD12      ILE  23  -5.885   7.572   2.139
  160   HD13  ILE  23          HD13      ILE  23  -6.893   6.107   2.195
  161    H    ASN  24           H        ASN  24  -0.601   7.065   3.848
  162    HA   ASN  24           HA       ASN  24  -0.743   9.558   5.242
  163    HB2  ASN  24           HB2      ASN  24   0.850   7.254   5.633
  164    HB3  ASN  24           HB3      ASN  24   2.023   8.466   5.103
  165   HD21  ASN  24          HD21      ASN  24   2.897   9.411   7.112
  166   HD22  ASN  24          HD22      ASN  24   1.941   9.654   8.525
  167    H    TRP  25           H        TRP  25   0.839   8.566   2.138
  168    HA   TRP  25           HA       TRP  25   2.433  10.815   1.776
  169    HB2  TRP  25           HB2      TRP  25   2.818   9.465  -0.052
  170    HB3  TRP  25           HB3      TRP  25   1.136   8.931  -0.153
  171    HD1  TRP  25           HD1      TRP  25   3.039  12.206  -1.051
  172    HE1  TRP  25           HE1      TRP  25   1.981  13.131  -3.147
  173    HE3  TRP  25           HE3      TRP  25  -0.845   8.798  -1.667
  174    HZ2  TRP  25           HZ2      TRP  25  -0.075  12.577  -4.873
  175    HZ3  TRP  25           HZ3      TRP  25  -2.285   9.054  -3.677
  176    HH2  TRP  25           HH2      TRP  25  -1.910  10.916  -5.266
  177    H    LEU  26           H        LEU  26  -1.136  10.550   1.039
  178    HA   LEU  26           HA       LEU  26  -1.354  12.941  -0.351
  179    HB2  LEU  26           HB2      LEU  26  -3.333  11.856   1.729
  180    HB3  LEU  26           HB3      LEU  26  -3.723  13.178   0.603
  181    HG   LEU  26           HG       LEU  26  -3.058  10.295  -0.290
  182   HD11  LEU  26          HD11      LEU  26  -5.751  11.771  -0.141
  183   HD12  LEU  26          HD12      LEU  26  -5.233  10.454   0.951
  184   HD13  LEU  26          HD13      LEU  26  -5.488  10.124  -0.781
  185   HD21  LEU  26          HD21      LEU  26  -3.945  11.068  -2.519
  186   HD22  LEU  26          HD22      LEU  26  -2.467  11.949  -2.091
  187   HD23  LEU  26          HD23      LEU  26  -4.055  12.738  -1.900
  188    H    ILE  27           H        ILE  27  -0.889  12.652   3.232
  189    HA   ILE  27           HA       ILE  27  -1.735  15.428   3.604
  190    HB   ILE  27           HB       ILE  27  -0.116  13.668   5.522
  191   HG12  ILE  27          HG12      ILE  27  -2.234  13.719   6.917
  192   HG13  ILE  27          HG13      ILE  27  -3.111  14.475   5.562
  193   HG21  ILE  27          HG21      ILE  27  -0.620  15.481   7.207
  194   HG22  ILE  27          HG22      ILE  27   0.356  16.116   5.871
  195   HG23  ILE  27          HG23      ILE  27  -1.401  16.443   5.920
  196   HD11  ILE  27          HD11      ILE  27  -3.424  11.920   5.904
  197   HD12  ILE  27          HD12      ILE  27  -2.952  12.378   4.258
  198   HD13  ILE  27          HD13      ILE  27  -1.725  11.727   5.401
  199    H    GLN  28           H        GLN  28   1.431  13.584   3.409
  200    HA   GLN  28           HA       GLN  28   2.909  16.104   3.621
  201    HB2  GLN  28           HB2      GLN  28   4.903  14.746   3.527
  202    HB3  GLN  28           HB3      GLN  28   3.786  14.119   4.741
  203    HG2  GLN  28           HG2      GLN  28   3.350  12.145   3.517
  204    HG3  GLN  28           HG3      GLN  28   3.674  12.900   1.933
  205   HE21  GLN  28          HE21      GLN  28   6.032  13.574   1.457
  206   HE22  GLN  28          HE22      GLN  28   7.236  12.488   2.047
  207    H    THR  29           H        THR  29   1.183  16.172   1.246
  208    HA   THR  29           HA       THR  29   3.163  15.911  -0.974
  209    HB   THR  29           HB       THR  29   0.133  16.386  -0.982
  210    HG1  THR  29           HG1      THR  29   0.842  14.186  -0.395
  211   HG21  THR  29          HG21      THR  29   2.124  15.880  -3.291
  212   HG22  THR  29          HG22      THR  29   1.204  17.391  -3.016
  213   HG23  THR  29          HG23      THR  29   0.344  15.884  -3.438
  214    H    LYS  30           H        LYS  30   0.872  18.320   0.562
  215    HA   LYS  30           HA       LYS  30   2.305  20.514  -0.925
  216    HB2  LYS  30           HB2      LYS  30   0.181  21.856  -0.391
  217    HB3  LYS  30           HB3      LYS  30   0.050  20.588  -1.619
  218    HG2  LYS  30           HG2      LYS  30  -1.934  20.660  -0.142
  219    HG3  LYS  30           HG3      LYS  30  -1.149  19.083  -0.170
  220    HD2  LYS  30           HD2      LYS  30   0.031  19.888   2.118
  221    HD3  LYS  30           HD3      LYS  30  -1.198  21.165   2.097
  222    HE2  LYS  30           HE2      LYS  30  -1.601  18.094   2.103
  223    HE3  LYS  30           HE3      LYS  30  -1.821  19.182   3.492
  224    HZ1  LYS  30           HZ1      LYS  30  -3.530  19.114   0.972
  225    HZ2  LYS  30           HZ2      LYS  30  -3.677  20.309   2.245
  226    HZ3  LYS  30           HZ3      LYS  30  -3.979  18.622   2.563
  227    H    ILE  31           H        ILE  31   3.451  19.226   1.433
  228    HA   ILE  31           HA       ILE  31   3.779  21.718   2.916
  229    HB   ILE  31           HB       ILE  31   1.829  20.883   4.064
  230   HG12  ILE  31          HG12      ILE  31   4.387  20.533   5.756
  231   HG13  ILE  31          HG13      ILE  31   3.570  22.071   5.380
  232   HG21  ILE  31          HG21      ILE  31   1.587  18.731   5.153
  233   HG22  ILE  31          HG22      ILE  31   2.159  18.409   3.509
  234   HG23  ILE  31          HG23      ILE  31   3.298  18.323   4.892
  235   HD11  ILE  31          HD11      ILE  31   1.494  21.215   6.613
  236   HD12  ILE  31          HD12      ILE  31   2.453  19.797   7.140
  237   HD13  ILE  31          HD13      ILE  31   2.938  21.433   7.643
  238    H    THR  32           H        THR  32   4.705  18.099   3.006
  239    HA   THR  32           HA       THR  32   7.403  19.016   3.756
  240    HB   THR  32           HB       THR  32   6.589  16.182   2.993
  241    HG1  THR  32           HG1      THR  32   6.161  17.415   5.549
  242   HG21  THR  32          HG21      THR  32   9.025  16.625   3.339
  243   HG22  THR  32          HG22      THR  32   8.356  15.531   4.590
  244   HG23  THR  32          HG23      THR  32   8.677  17.245   4.984
  245    H    ASP  33           H        ASP  33   5.724  17.257   0.944
  246    HA   ASP  33           HA       ASP  33   8.227  17.066  -0.471
  247    HB2  ASP  33           HB2      ASP  33   6.239  15.512  -0.821
  248    HB3  ASP  33           HB3      ASP  33   5.400  16.849  -1.657
  Start of MODEL    7
    1    H1   HIS   1           H1       HIS   1   5.097 -24.869  -8.098
    2    HA   HIS   1           HA       HIS   1   3.087 -23.989  -9.204
    3    HB2  HIS   1           HB2      HIS   1   3.581 -26.512  -9.386
    4    HB3  HIS   1           HB3      HIS   1   2.493 -26.768  -8.005
    5    HD1  HIS   1           HD1      HIS   1   2.533 -25.869 -11.620
    6    HD2  HIS   1           HD2      HIS   1  -0.226 -26.410  -8.495
    7    HE1  HIS   1           HE1      HIS   1   0.267 -25.993 -12.728
    8    H    ALA   2           H        ALA   2   0.708 -23.446  -8.915
    9    HA   ALA   2           HA       ALA   2   0.229 -22.545  -6.181
   10    HB1  ALA   2           HB1      ALA   2  -0.527 -21.174  -8.081
   11    HB2  ALA   2           HB2      ALA   2  -1.622 -22.475  -8.631
   12    HB3  ALA   2           HB3      ALA   2  -1.912 -21.664  -7.062
   13    H    ASP   3           H        ASP   3   0.039 -24.481  -4.805
   14    HA   ASP   3           HA       ASP   3  -2.134 -26.415  -5.601
   15    HB2  ASP   3           HB2      ASP   3   0.198 -26.733  -3.632
   16    HB3  ASP   3           HB3      ASP   3  -1.003 -27.978  -4.067
   17    H    GLY   4           H        GLY   4  -3.500 -24.312  -4.812
   18    HA2  GLY   4           HA2      GLY   4  -5.210 -24.844  -2.991
   19    HA3  GLY   4           HA3      GLY   4  -3.879 -24.609  -1.831
   20    H    SER   5           H        SER   5  -5.625 -22.992  -1.065
   21    HA   SER   5           HA       SER   5  -5.772 -20.501  -2.628
   22    HB2  SER   5           HB2      SER   5  -7.643 -21.311  -1.137
   23    HB3  SER   5           HB3      SER   5  -6.578 -21.061   0.287
   24    HG   SER   5           HG       SER   5  -7.919 -19.149  -0.193
   25    H    PHE   6           H        PHE   6  -5.363 -18.557  -0.537
   26    HA   PHE   6           HA       PHE   6  -3.699 -17.379   0.471
   27    HB2  PHE   6           HB2      PHE   6  -3.217 -19.933   1.424
   28    HB3  PHE   6           HB3      PHE   6  -1.672 -19.608   0.623
   29    HD1  PHE   6           HD1      PHE   6  -4.218 -18.259   3.032
   30    HD2  PHE   6           HD2      PHE   6  -0.103 -18.061   1.785
   31    HE1  PHE   6           HE1      PHE   6  -3.656 -17.013   5.093
   32    HE2  PHE   6           HE2      PHE   6   0.456 -16.819   3.854
   33    HZ   PHE   6           HZ       PHE   6  -1.311 -16.313   5.523
   34    H    SER   7           H        SER   7  -3.777 -18.170  -2.647
   35    HA   SER   7           HA       SER   7  -0.971 -17.456  -3.287
   36    HB2  SER   7           HB2      SER   7  -3.372 -18.084  -5.109
   37    HB3  SER   7           HB3      SER   7  -1.729 -17.648  -5.649
   38    HG   SER   7           HG       SER   7  -2.324 -19.957  -4.040
   39    H    ASP   8           H        ASP   8  -4.400 -16.143  -3.869
   40    HA   ASP   8           HA       ASP   8  -3.418 -13.617  -4.749
   41    HB2  ASP   8           HB2      ASP   8  -5.648 -12.712  -4.235
   42    HB3  ASP   8           HB3      ASP   8  -5.815 -14.301  -5.029
   43    H    GLU   9           H        GLU   9  -3.990 -14.987  -1.416
   44    HA   GLU   9           HA       GLU   9  -3.677 -12.337  -0.219
   45    HB2  GLU   9           HB2      GLU   9  -3.668 -15.081   1.136
   46    HB3  GLU   9           HB3      GLU   9  -3.740 -13.504   1.961
   47    HG2  GLU   9           HG2      GLU   9  -5.933 -12.987   0.896
   48    HG3  GLU   9           HG3      GLU   9  -5.885 -14.524  -0.007
   49    H    MET  10           H        MET  10  -1.296 -14.657  -1.450
   50    HA   MET  10           HA       MET  10   0.607 -14.383   0.594
   51    HB2  MET  10           HB2      MET  10   2.336 -15.000  -0.946
   52    HB3  MET  10           HB3      MET  10   0.865 -15.862  -1.457
   53    HG2  MET  10           HG2      MET  10   1.887 -15.064  -3.485
   54    HG3  MET  10           HG3      MET  10   0.575 -13.882  -3.199
   55    HE1  MET  10           HE1      MET  10   1.775 -12.488  -5.035
   56    HE2  MET  10           HE2      MET  10   3.339 -11.645  -4.800
   57    HE3  MET  10           HE3      MET  10   3.309 -13.406  -5.144
   58    H    ASN  11           H        ASN  11  -0.446 -11.999  -1.914
   59    HA   ASN  11           HA       ASN  11   1.895 -10.322  -1.306
   60    HB2  ASN  11           HB2      ASN  11   0.732 -10.721  -3.633
   61    HB3  ASN  11           HB3      ASN  11  -0.456  -9.516  -3.080
   62   HD21  ASN  11          HD21      ASN  11   0.710  -8.775  -5.338
   63   HD22  ASN  11          HD22      ASN  11   2.057  -7.723  -5.114
   64    H    THR  12           H        THR  12  -0.852 -10.857   0.549
   65    HA   THR  12           HA       THR  12  -1.799  -8.221   0.971
   66    HB   THR  12           HB       THR  12  -1.548 -10.516   3.000
   67    HG1  THR  12           HG1      THR  12  -3.663  -9.981   1.136
   68   HG21  THR  12          HG21      THR  12  -3.476  -8.097   2.914
   69   HG22  THR  12          HG22      THR  12  -2.207  -8.385   4.144
   70   HG23  THR  12          HG23      THR  12  -3.607  -9.483   4.032
   71    H    ILE  13           H        ILE  13   1.306  -9.775   1.907
   72    HA   ILE  13           HA       ILE  13   1.947  -8.268   4.150
   73    HB   ILE  13           HB       ILE  13   3.861  -8.845   1.813
   74   HG12  ILE  13          HG12      ILE  13   3.101 -11.014   2.605
   75   HG13  ILE  13          HG13      ILE  13   4.742 -10.727   3.190
   76   HG21  ILE  13          HG21      ILE  13   4.784  -7.040   3.194
   77   HG22  ILE  13          HG22      ILE  13   4.452  -7.940   4.695
   78   HG23  ILE  13          HG23      ILE  13   5.688  -8.525   3.546
   79   HD11  ILE  13          HD11      ILE  13   2.158 -10.521   4.860
   80   HD12  ILE  13          HD12      ILE  13   3.410 -11.783   4.954
   81   HD13  ILE  13          HD13      ILE  13   3.797 -10.123   5.476
   82    H    LEU  14           H        LEU  14   2.436  -7.196   0.641
   83    HA   LEU  14           HA       LEU  14   3.284  -4.649   1.626
   84    HB2  LEU  14           HB2      LEU  14   3.414  -3.798  -0.588
   85    HB3  LEU  14           HB3      LEU  14   4.049  -5.459  -0.518
   86    HG   LEU  14           HG       LEU  14   1.764  -6.219  -1.507
   87   HD11  LEU  14          HD11      LEU  14   1.516  -3.203  -2.123
   88   HD12  LEU  14          HD12      LEU  14   0.350  -4.186  -1.197
   89   HD13  LEU  14          HD13      LEU  14   0.568  -4.489  -2.920
   90   HD21  LEU  14          HD21      LEU  14   3.897  -6.126  -2.837
   91   HD22  LEU  14          HD22      LEU  14   3.619  -4.393  -3.178
   92   HD23  LEU  14          HD23      LEU  14   2.515  -5.628  -3.845
   93    H    ASP  15           H        ASP  15   0.011  -5.956   1.003
   94    HA   ASP  15           HA       ASP  15  -1.293  -3.530   0.512
   95    HB2  ASP  15           HB2      ASP  15  -2.401  -5.786   0.469
   96    HB3  ASP  15           HB3      ASP  15  -2.383  -5.805   2.260
   97    H    ASN  16           H        ASN  16  -0.128  -4.846   3.718
   98    HA   ASN  16           HA       ASN  16  -1.573  -2.848   5.230
   99    HB2  ASN  16           HB2      ASN  16   0.783  -4.655   5.941
  100    HB3  ASN  16           HB3      ASN  16   0.380  -3.253   6.957
  101   HD21  ASN  16          HD21      ASN  16  -1.734  -5.790   5.248
  102   HD22  ASN  16          HD22      ASN  16  -2.592  -6.145   6.699
  103    H    LEU  17           H        LEU  17   2.042  -2.964   4.555
  104    HA   LEU  17           HA       LEU  17   2.352  -0.290   5.391
  105    HB2  LEU  17           HB2      LEU  17   4.588  -0.319   4.393
  106    HB3  LEU  17           HB3      LEU  17   4.216  -1.867   5.178
  107    HG   LEU  17           HG       LEU  17   3.459  -2.543   2.656
  108   HD11  LEU  17          HD11      LEU  17   3.980  -0.253   1.651
  109   HD12  LEU  17          HD12      LEU  17   4.913  -1.575   0.914
  110   HD13  LEU  17          HD13      LEU  17   5.686  -0.490   2.105
  111   HD21  LEU  17          HD21      LEU  17   5.731  -3.530   2.289
  112   HD22  LEU  17          HD22      LEU  17   5.170  -3.770   3.963
  113   HD23  LEU  17          HD23      LEU  17   6.384  -2.504   3.603
  114    H    ALA  18           H        ALA  18   1.300  -1.528   2.161
  115    HA   ALA  18           HA       ALA  18   1.858   0.975   0.831
  116    HB1  ALA  18           HB1      ALA  18  -0.096  -1.252   0.012
  117    HB2  ALA  18           HB2      ALA  18   0.461   0.099  -1.021
  118    HB3  ALA  18           HB3      ALA  18   1.632  -1.134  -0.459
  119    H    ALA  19           H        ALA  19  -1.118  -0.521   2.354
  120    HA   ALA  19           HA       ALA  19  -2.970   1.389   1.569
  121    HB1  ALA  19           HB1      ALA  19  -3.640  -0.577   2.952
  122    HB2  ALA  19           HB2      ALA  19  -2.754   0.075   4.363
  123    HB3  ALA  19           HB3      ALA  19  -4.191   0.934   3.733
  124    H    ARG  20           H        ARG  20  -0.650   1.560   4.397
  125    HA   ARG  20           HA       ARG  20  -1.663   4.245   4.988
  126    HB2  ARG  20           HB2      ARG  20  -0.231   2.310   6.576
  127    HB3  ARG  20           HB3      ARG  20   0.912   3.638   6.313
  128    HG2  ARG  20           HG2      ARG  20  -0.285   4.185   8.344
  129    HG3  ARG  20           HG3      ARG  20  -0.948   5.252   7.086
  130    HD2  ARG  20           HD2      ARG  20  -2.822   4.392   8.377
  131    HD3  ARG  20           HD3      ARG  20  -2.869   3.539   6.801
  132    HE   ARG  20           HE       ARG  20  -1.357   2.001   8.729
  133   HH11  ARG  20          HH12      ARG  20  -4.747   2.986   7.983
  134   HH12  ARG  20          HH11      ARG  20  -5.402   1.540   8.740
  135   HH21  ARG  20          HH22      ARG  20  -2.296   0.199   9.683
  136   HH22  ARG  20          HH21      ARG  20  -4.050  -0.002   9.693
  137    H    ASP  21           H        ASP  21   1.214   2.901   3.221
  138    HA   ASP  21           HA       ASP  21   2.631   5.305   3.045
  139    HB2  ASP  21           HB2      ASP  21   3.403   3.178   1.903
  140    HB3  ASP  21           HB3      ASP  21   2.097   3.378   0.701
  141    H    PHE  22           H        PHE  22  -0.392   4.258   1.308
  142    HA   PHE  22           HA       PHE  22  -0.279   6.555  -0.417
  143    HB2  PHE  22           HB2      PHE  22  -1.810   4.161  -0.503
  144    HB3  PHE  22           HB3      PHE  22  -3.007   5.437  -0.223
  145    HD1  PHE  22           HD1      PHE  22   0.208   4.900  -2.170
  146    HD2  PHE  22           HD2      PHE  22  -3.876   6.251  -2.346
  147    HE1  PHE  22           HE1      PHE  22   0.535   5.580  -4.524
  148    HE2  PHE  22           HE2      PHE  22  -3.589   6.769  -4.747
  149    HZ   PHE  22           HZ       PHE  22  -1.368   6.508  -5.824
  150    H    ILE  23           H        ILE  23  -2.335   5.797   2.526
  151    HA   ILE  23           HA       ILE  23  -3.608   8.358   2.412
  152    HB   ILE  23           HB       ILE  23  -3.156   6.393   4.697
  153   HG12  ILE  23          HG12      ILE  23  -4.853   5.910   2.819
  154   HG13  ILE  23          HG13      ILE  23  -5.482   5.851   4.483
  155   HG21  ILE  23          HG21      ILE  23  -4.515   9.132   4.938
  156   HG22  ILE  23          HG22      ILE  23  -4.742   7.787   6.101
  157   HG23  ILE  23          HG23      ILE  23  -3.129   8.504   5.870
  158   HD11  ILE  23          HD11      ILE  23  -6.592   8.046   4.222
  159   HD12  ILE  23          HD12      ILE  23  -5.906   8.260   2.586
  160   HD13  ILE  23          HD13      ILE  23  -7.073   6.956   2.902
  161    H    ASN  24           H        ASN  24  -0.601   7.341   4.207
  162    HA   ASN  24           HA       ASN  24  -0.146  10.163   4.920
  163    HB2  ASN  24           HB2      ASN  24   1.378   7.580   5.495
  164    HB3  ASN  24           HB3      ASN  24   2.208   9.126   5.661
  165   HD21  ASN  24          HD21      ASN  24   0.872   7.012   7.758
  166   HD22  ASN  24          HD22      ASN  24   0.253   8.160   8.885
  167    H    TRP  25           H        TRP  25   0.101   8.856   1.856
  168    HA   TRP  25           HA       TRP  25   2.601  10.306   1.234
  169    HB2  TRP  25           HB2      TRP  25   2.501   8.825  -0.517
  170    HB3  TRP  25           HB3      TRP  25   0.761   8.596  -0.353
  171    HD1  TRP  25           HD1      TRP  25   2.988  11.484  -1.721
  172    HE1  TRP  25           HE1      TRP  25   1.809  12.434  -3.741
  173    HE3  TRP  25           HE3      TRP  25  -1.316   8.564  -1.685
  174    HZ2  TRP  25           HZ2      TRP  25  -0.482  12.056  -5.190
  175    HZ3  TRP  25           HZ3      TRP  25  -3.030   9.042  -3.425
  176    HH2  TRP  25           HH2      TRP  25  -2.587  10.696  -5.209
  177    H    LEU  26           H        LEU  26  -1.005  10.752   0.821
  178    HA   LEU  26           HA       LEU  26  -0.935  13.072  -0.667
  179    HB2  LEU  26           HB2      LEU  26  -2.802  12.501   1.692
  180    HB3  LEU  26           HB3      LEU  26  -3.049  13.821   0.519
  181    HG   LEU  26           HG       LEU  26  -3.070  10.820  -0.216
  182   HD11  LEU  26          HD11      LEU  26  -5.020  11.481   1.212
  183   HD12  LEU  26          HD12      LEU  26  -5.527  11.114  -0.456
  184   HD13  LEU  26          HD13      LEU  26  -5.399  12.813   0.081
  185   HD21  LEU  26          HD21      LEU  26  -3.722  13.317  -1.909
  186   HD22  LEU  26          HD22      LEU  26  -4.051  11.631  -2.398
  187   HD23  LEU  26          HD23      LEU  26  -2.378  12.176  -2.194
  188    H    ILE  27           H        ILE  27  -0.487  12.838   2.929
  189    HA   ILE  27           HA       ILE  27  -0.341  15.683   3.213
  190    HB   ILE  27           HB       ILE  27   0.556  15.394   5.447
  191   HG12  ILE  27          HG12      ILE  27   0.685  12.795   6.237
  192   HG13  ILE  27          HG13      ILE  27   1.182  12.560   4.557
  193   HG21  ILE  27          HG21      ILE  27  -1.325  14.193   6.446
  194   HG22  ILE  27          HG22      ILE  27  -1.900  15.092   5.022
  195   HG23  ILE  27          HG23      ILE  27  -1.663  13.323   4.930
  196   HD11  ILE  27          HD11      ILE  27   3.176  12.840   5.970
  197   HD12  ILE  27          HD12      ILE  27   3.042  14.332   5.003
  198   HD13  ILE  27          HD13      ILE  27   2.516  14.330   6.701
  199    H    GLN  28           H        GLN  28   2.252  13.260   2.402
  200    HA   GLN  28           HA       GLN  28   4.205  15.512   2.545
  201    HB2  GLN  28           HB2      GLN  28   5.982  13.801   2.261
  202    HB3  GLN  28           HB3      GLN  28   5.000  13.533   3.710
  203    HG2  GLN  28           HG2      GLN  28   3.979  11.604   2.751
  204    HG3  GLN  28           HG3      GLN  28   4.351  12.085   1.078
  205   HE21  GLN  28          HE21      GLN  28   6.250  11.439   4.186
  206   HE22  GLN  28          HE22      GLN  28   7.418  10.454   3.387
  207    H    THR  29           H        THR  29   2.288  15.809   0.415
  208    HA   THR  29           HA       THR  29   3.546  14.673  -1.986
  209    HB   THR  29           HB       THR  29   1.250  16.661  -1.612
  210    HG1  THR  29           HG1      THR  29   0.947  14.308  -1.273
  211   HG21  THR  29          HG21      THR  29   2.447  17.305  -3.709
  212   HG22  THR  29          HG22      THR  29   0.915  16.461  -4.073
  213   HG23  THR  29          HG23      THR  29   2.467  15.590  -4.227
  214    H    LYS  30           H        LYS  30   3.051  18.107  -0.800
  215    HA   LYS  30           HA       LYS  30   4.772  19.235  -2.614
  216    HB2  LYS  30           HB2      LYS  30   4.991  21.181  -1.261
  217    HB3  LYS  30           HB3      LYS  30   3.329  20.593  -1.062
  218    HG2  LYS  30           HG2      LYS  30   5.651  20.215   0.945
  219    HG3  LYS  30           HG3      LYS  30   4.445  21.501   1.036
  220    HD2  LYS  30           HD2      LYS  30   3.852  18.504   1.395
  221    HD3  LYS  30           HD3      LYS  30   3.996  19.727   2.664
  222    HE2  LYS  30           HE2      LYS  30   1.781  19.628   0.527
  223    HE3  LYS  30           HE3      LYS  30   1.649  19.183   2.238
  224    HZ1  LYS  30           HZ1      LYS  30   2.112  21.967   1.137
  225    HZ2  LYS  30           HZ2      LYS  30   2.236  21.558   2.836
  226    HZ3  LYS  30           HZ3      LYS  30   0.732  21.372   1.979
  227    H    ILE  31           H        ILE  31   5.743  17.588   0.444
  228    HA   ILE  31           HA       ILE  31   8.465  18.625   0.137
  229    HB   ILE  31           HB       ILE  31   7.356  18.401   2.379
  230   HG12  ILE  31          HG12      ILE  31  10.077  17.001   1.982
  231   HG13  ILE  31          HG13      ILE  31   9.795  18.756   2.156
  232   HG21  ILE  31          HG21      ILE  31   6.399  16.078   1.986
  233   HG22  ILE  31          HG22      ILE  31   8.038  15.401   2.180
  234   HG23  ILE  31          HG23      ILE  31   7.220  16.240   3.533
  235   HD11  ILE  31          HD11      ILE  31   8.842  18.306   4.494
  236   HD12  ILE  31          HD12      ILE  31   9.408  16.611   4.338
  237   HD13  ILE  31          HD13      ILE  31  10.581  17.943   4.302
  238    H    THR  32           H        THR  32   6.781  15.374  -0.286
  239    HA   THR  32           HA       THR  32   9.427  14.327  -1.220
  240    HB   THR  32           HB       THR  32   6.923  12.733  -0.517
  241    HG1  THR  32           HG1      THR  32   9.249  13.222   1.062
  242   HG21  THR  32          HG21      THR  32   8.449  11.599  -2.168
  243   HG22  THR  32          HG22      THR  32   8.491  10.804  -0.567
  244   HG23  THR  32          HG23      THR  32   9.833  11.870  -1.066
  245    H    ASP  33           H        ASP  33   5.897  13.834  -2.268
  246    HA   ASP  33           HA       ASP  33   6.437  14.971  -4.818
  247    HB2  ASP  33           HB2      ASP  33   7.656  12.408  -4.596
  248    HB3  ASP  33           HB3      ASP  33   6.089  12.001  -5.301
  Start of MODEL    8
    1    H1   HIS   1           H1       HIS   1   6.821 -23.969  -0.891
    2    HA   HIS   1           HA       HIS   1   5.015 -24.139  -2.552
    3    HB2  HIS   1           HB2      HIS   1   6.905 -26.393  -2.026
    4    HB3  HIS   1           HB3      HIS   1   5.421 -26.958  -2.818
    5    HD1  HIS   1           HD1      HIS   1   7.888 -24.098  -3.325
    6    HD2  HIS   1           HD2      HIS   1   5.440 -26.784  -5.437
    7    HE1  HIS   1           HE1      HIS   1   8.343 -23.653  -5.774
    8    H    ALA   2           H        ALA   2   2.718 -24.275  -2.397
    9    HA   ALA   2           HA       ALA   2   1.578 -26.780  -1.417
   10    HB1  ALA   2           HB1      ALA   2   1.049 -24.170   0.138
   11    HB2  ALA   2           HB2      ALA   2   0.147 -25.705   0.345
   12    HB3  ALA   2           HB3      ALA   2   1.881 -25.618   0.777
   13    H    ASP   3           H        ASP   3  -0.226 -27.103  -2.878
   14    HA   ASP   3           HA       ASP   3  -0.927 -24.783  -4.537
   15    HB2  ASP   3           HB2      ASP   3  -0.721 -27.341  -5.238
   16    HB3  ASP   3           HB3      ASP   3  -2.396 -27.457  -4.648
   17    H    GLY   4           H        GLY   4  -3.521 -24.438  -4.855
   18    HA2  GLY   4           HA2      GLY   4  -5.680 -24.598  -3.773
   19    HA3  GLY   4           HA3      GLY   4  -4.891 -24.749  -2.193
   20    H    SER   5           H        SER   5  -6.136 -22.860  -1.405
   21    HA   SER   5           HA       SER   5  -5.965 -20.354  -2.919
   22    HB2  SER   5           HB2      SER   5  -7.988 -21.056  -1.573
   23    HB3  SER   5           HB3      SER   5  -7.012 -20.876  -0.078
   24    HG   SER   5           HG       SER   5  -8.206 -18.874  -0.651
   25    H    PHE   6           H        PHE   6  -5.600 -18.457  -0.767
   26    HA   PHE   6           HA       PHE   6  -3.925 -17.354   0.317
   27    HB2  PHE   6           HB2      PHE   6  -3.633 -19.875   1.317
   28    HB3  PHE   6           HB3      PHE   6  -2.056 -19.731   0.520
   29    HD1  PHE   6           HD2      PHE   6  -4.464 -18.066   2.881
   30    HD2  PHE   6           HD1      PHE   6  -0.348 -18.327   1.647
   31    HE1  PHE   6           HE2      PHE   6  -3.779 -16.822   4.906
   32    HE2  PHE   6           HE1      PHE   6   0.332 -17.090   3.680
   33    HZ   PHE   6           HZ       PHE   6  -1.376 -16.355   5.325
   34    H    SER   7           H        SER   7  -3.976 -18.034  -2.790
   35    HA   SER   7           HA       SER   7  -1.120 -17.410  -3.360
   36    HB2  SER   7           HB2      SER   7  -3.539 -17.923  -5.196
   37    HB3  SER   7           HB3      SER   7  -1.928 -17.421  -5.770
   38    HG   SER   7           HG       SER   7  -1.118 -19.431  -4.800
   39    H    ASP   8           H        ASP   8  -4.497 -15.959  -3.970
   40    HA   ASP   8           HA       ASP   8  -3.410 -13.476  -4.796
   41    HB2  ASP   8           HB2      ASP   8  -5.580 -12.464  -4.267
   42    HB3  ASP   8           HB3      ASP   8  -5.832 -14.033  -5.079
   43    H    GLU   9           H        GLU   9  -4.192 -14.760  -1.445
   44    HA   GLU   9           HA       GLU   9  -3.544 -12.140  -0.314
   45    HB2  GLU   9           HB2      GLU   9  -4.086 -14.803   1.121
   46    HB3  GLU   9           HB3      GLU   9  -3.885 -13.213   1.883
   47    HG2  GLU   9           HG2      GLU   9  -5.866 -12.437   0.246
   48    HG3  GLU   9           HG3      GLU   9  -6.207 -14.180   0.134
   49    H    MET  10           H        MET  10  -1.377 -14.606  -1.464
   50    HA   MET  10           HA       MET  10   0.461 -14.537   0.666
   51    HB2  MET  10           HB2      MET  10   2.204 -15.184  -0.840
   52    HB3  MET  10           HB3      MET  10   0.706 -15.954  -1.416
   53    HG2  MET  10           HG2      MET  10   1.819 -15.157  -3.401
   54    HG3  MET  10           HG3      MET  10   0.556 -13.924  -3.118
   55    HE1  MET  10           HE1      MET  10   3.475 -11.792  -4.590
   56    HE2  MET  10           HE2      MET  10   3.326 -13.538  -4.981
   57    HE3  MET  10           HE3      MET  10   1.858 -12.515  -4.867
   58    H    ASN  11           H        ASN  11  -0.400 -12.018  -1.802
   59    HA   ASN  11           HA       ASN  11   2.000 -10.479  -1.102
   60    HB2  ASN  11           HB2      ASN  11   0.839 -10.726  -3.451
   61    HB3  ASN  11           HB3      ASN  11  -0.324  -9.524  -2.844
   62   HD21  ASN  11          HD21      ASN  11   0.542  -8.221  -4.764
   63   HD22  ASN  11          HD22      ASN  11   2.056  -7.416  -4.614
   64    H    THR  12           H        THR  12  -1.002 -10.841   0.538
   65    HA   THR  12           HA       THR  12  -1.771  -8.212   1.009
   66    HB   THR  12           HB       THR  12  -1.746 -10.564   2.987
   67    HG1  THR  12           HG1      THR  12  -3.927 -10.785   2.014
   68   HG21  THR  12          HG21      THR  12  -3.691  -9.402   4.063
   69   HG22  THR  12          HG22      THR  12  -3.503  -8.018   2.952
   70   HG23  THR  12          HG23      THR  12  -2.239  -8.379   4.175
   71    H    ILE  13           H        ILE  13   1.143  -9.943   2.244
   72    HA   ILE  13           HA       ILE  13   1.830  -8.383   4.412
   73    HB   ILE  13           HB       ILE  13   3.751  -9.071   2.100
   74   HG12  ILE  13          HG12      ILE  13   2.930 -11.214   2.891
   75   HG13  ILE  13          HG13      ILE  13   4.553 -10.966   3.522
   76   HG21  ILE  13          HG21      ILE  13   4.358  -8.154   4.981
   77   HG22  ILE  13          HG22      ILE  13   5.569  -8.811   3.843
   78   HG23  ILE  13          HG23      ILE  13   4.738  -7.291   3.469
   79   HD11  ILE  13          HD11      ILE  13   3.549 -10.299   5.781
   80   HD12  ILE  13          HD12      ILE  13   1.926 -10.661   5.114
   81   HD13  ILE  13          HD13      ILE  13   3.139 -11.953   5.263
   82    H    LEU  14           H        LEU  14   2.256  -7.443   0.902
   83    HA   LEU  14           HA       LEU  14   3.315  -4.876   1.664
   84    HB2  LEU  14           HB2      LEU  14   1.979  -5.722  -0.969
   85    HB3  LEU  14           HB3      LEU  14   2.848  -4.187  -0.721
   86    HG   LEU  14           HG       LEU  14   4.150  -6.982  -0.544
   87   HD11  LEU  14          HD11      LEU  14   5.204  -6.424  -2.711
   88   HD12  LEU  14          HD12      LEU  14   4.410  -4.819  -2.722
   89   HD13  LEU  14          HD13      LEU  14   3.435  -6.299  -2.878
   90   HD21  LEU  14          HD21      LEU  14   6.331  -5.668  -0.601
   91   HD22  LEU  14          HD22      LEU  14   5.434  -5.402   0.900
   92   HD23  LEU  14          HD23      LEU  14   5.404  -4.160  -0.388
   93    H    ASP  15           H        ASP  15  -0.061  -6.053   0.897
   94    HA   ASP  15           HA       ASP  15  -1.268  -3.643   0.529
   95    HB2  ASP  15           HB2      ASP  15  -2.519  -5.808   0.527
   96    HB3  ASP  15           HB3      ASP  15  -2.418  -5.863   2.311
   97    H    ASN  16           H        ASN  16  -0.199  -4.891   3.810
   98    HA   ASN  16           HA       ASN  16  -1.640  -2.807   5.209
   99    HB2  ASN  16           HB2      ASN  16   0.617  -4.680   6.065
  100    HB3  ASN  16           HB3      ASN  16   0.253  -3.229   7.020
  101   HD21  ASN  16          HD21      ASN  16  -1.932  -5.705   5.343
  102   HD22  ASN  16          HD22      ASN  16  -2.851  -5.977   6.775
  103    H    LEU  17           H        LEU  17   2.003  -3.024   4.859
  104    HA   LEU  17           HA       LEU  17   2.339  -0.321   5.491
  105    HB2  LEU  17           HB2      LEU  17   4.614  -0.451   4.579
  106    HB3  LEU  17           HB3      LEU  17   4.175  -1.891   5.513
  107    HG   LEU  17           HG       LEU  17   3.540  -2.898   3.077
  108   HD11  LEU  17          HD11      LEU  17   5.042  -2.138   1.273
  109   HD12  LEU  17          HD12      LEU  17   5.772  -0.905   2.340
  110   HD13  LEU  17          HD13      LEU  17   4.084  -0.737   1.798
  111   HD21  LEU  17          HD21      LEU  17   5.201  -3.912   4.594
  112   HD22  LEU  17          HD22      LEU  17   6.411  -2.677   4.125
  113   HD23  LEU  17          HD23      LEU  17   5.836  -3.879   2.932
  114    H    ALA  18           H        ALA  18   1.472  -1.711   2.280
  115    HA   ALA  18           HA       ALA  18   2.080   0.702   0.849
  116    HB1  ALA  18           HB1      ALA  18   0.699  -0.252  -0.972
  117    HB2  ALA  18           HB2      ALA  18   1.813  -1.493  -0.322
  118    HB3  ALA  18           HB3      ALA  18   0.079  -1.524   0.120
  119    H    ALA  19           H        ALA  19  -0.936  -0.600   2.488
  120    HA   ALA  19           HA       ALA  19  -2.719   1.299   1.528
  121    HB1  ALA  19           HB1      ALA  19  -2.621   0.202   4.405
  122    HB2  ALA  19           HB2      ALA  19  -4.000   1.064   3.661
  123    HB3  ALA  19           HB3      ALA  19  -3.491  -0.525   3.021
  124    H    ARG  20           H        ARG  20  -0.412   1.561   4.345
  125    HA   ARG  20           HA       ARG  20  -1.240   4.321   4.827
  126    HB2  ARG  20           HB2      ARG  20   0.721   2.451   6.150
  127    HB3  ARG  20           HB3      ARG  20   1.165   4.164   6.172
  128    HG2  ARG  20           HG2      ARG  20  -0.113   3.587   8.181
  129    HG3  ARG  20           HG3      ARG  20  -0.924   4.835   7.217
  130    HD2  ARG  20           HD2      ARG  20  -2.861   3.537   7.053
  131    HD3  ARG  20           HD3      ARG  20  -1.938   2.216   6.362
  132    HE   ARG  20           HE       ARG  20  -1.988   1.089   8.342
  133   HH11  ARG  20          HH12      ARG  20  -2.469   4.594   9.076
  134   HH12  ARG  20          HH11      ARG  20  -2.720   4.266  10.783
  135   HH21  ARG  20          HH22      ARG  20  -2.329   0.791  10.542
  136   HH22  ARG  20          HH21      ARG  20  -2.650   2.167  11.598
  137    H    ASP  21           H        ASP  21   1.413   2.769   2.860
  138    HA   ASP  21           HA       ASP  21   3.035   4.994   2.642
  139    HB2  ASP  21           HB2      ASP  21   3.575   2.876   1.438
  140    HB3  ASP  21           HB3      ASP  21   2.206   3.138   0.322
  141    H    PHE  22           H        PHE  22  -0.033   4.311   0.706
  142    HA   PHE  22           HA       PHE  22   0.283   6.854  -0.628
  143    HB2  PHE  22           HB2      PHE  22  -1.641   6.407  -1.886
  144    HB3  PHE  22           HB3      PHE  22  -0.956   4.803  -1.592
  145    HD1  PHE  22           HD2      PHE  22  -3.538   7.308  -0.539
  146    HD2  PHE  22           HD1      PHE  22  -2.321   3.183  -0.284
  147    HE1  PHE  22           HE2      PHE  22  -5.733   6.723   0.431
  148    HE2  PHE  22           HE1      PHE  22  -4.556   2.596   0.630
  149    HZ   PHE  22           HZ       PHE  22  -6.239   4.366   1.039
  150    H    ILE  23           H        ILE  23  -1.764   5.612   2.140
  151    HA   ILE  23           HA       ILE  23  -3.323   7.920   2.284
  152    HB   ILE  23           HB       ILE  23  -3.117   5.606   3.941
  153   HG12  ILE  23          HG12      ILE  23  -5.187   6.530   3.016
  154   HG13  ILE  23          HG13      ILE  23  -5.302   6.118   4.736
  155   HG21  ILE  23          HG21      ILE  23  -1.675   6.761   5.573
  156   HG22  ILE  23          HG22      ILE  23  -2.856   8.086   5.740
  157   HG23  ILE  23          HG23      ILE  23  -3.283   6.434   6.264
  158   HD11  ILE  23          HD11      ILE  23  -6.466   8.276   4.160
  159   HD12  ILE  23          HD12      ILE  23  -5.206   8.505   5.396
  160   HD13  ILE  23          HD13      ILE  23  -4.907   9.014   3.708
  161    H    ASN  24           H        ASN  24  -0.046   7.348   3.735
  162    HA   ASN  24           HA       ASN  24  -0.105  10.020   4.937
  163    HB2  ASN  24           HB2      ASN  24   1.983   7.805   4.898
  164    HB3  ASN  24           HB3      ASN  24   2.486   9.458   5.263
  165   HD21  ASN  24          HD21      ASN  24   0.769   6.677   6.687
  166   HD22  ASN  24          HD22      ASN  24   0.439   7.483   8.177
  167    H    TRP  25           H        TRP  25   0.505   9.015   1.642
  168    HA   TRP  25           HA       TRP  25   2.456  11.166   1.206
  169    HB2  TRP  25           HB2      TRP  25   2.777   9.899  -0.678
  170    HB3  TRP  25           HB3      TRP  25   1.215   9.094  -0.543
  171    HD1  TRP  25           HD1      TRP  25   2.612  12.466  -1.866
  172    HE1  TRP  25           HE1      TRP  25   1.130  13.235  -3.759
  173    HE3  TRP  25           HE3      TRP  25  -1.059   8.817  -1.632
  174    HZ2  TRP  25           HZ2      TRP  25  -1.169  12.489  -5.046
  175    HZ3  TRP  25           HZ3      TRP  25  -2.901   8.924  -3.310
  176    HH2  TRP  25           HH2      TRP  25  -2.949  10.728  -5.006
  177    H    LEU  26           H        LEU  26  -1.165  10.893   1.143
  178    HA   LEU  26           HA       LEU  26  -1.560  13.268  -0.351
  179    HB2  LEU  26           HB2      LEU  26  -3.261  12.234   1.994
  180    HB3  LEU  26           HB3      LEU  26  -3.772  13.499   0.848
  181    HG   LEU  26           HG       LEU  26  -3.202  10.556   0.075
  182   HD11  LEU  26          HD11      LEU  26  -5.233  10.806   1.519
  183   HD12  LEU  26          HD12      LEU  26  -5.662  10.353  -0.151
  184   HD13  LEU  26          HD13      LEU  26  -5.881  12.041   0.398
  185   HD21  LEU  26          HD21      LEU  26  -2.796  12.053  -1.876
  186   HD22  LEU  26          HD22      LEU  26  -4.350  12.887  -1.586
  187   HD23  LEU  26          HD23      LEU  26  -4.323  11.176  -2.098
  188    H    ILE  27           H        ILE  27  -1.053  12.880   3.245
  189    HA   ILE  27           HA       ILE  27  -1.319  15.687   3.722
  190    HB   ILE  27           HB       ILE  27   0.062  15.406   5.768
  191   HG12  ILE  27          HG12      ILE  27   0.096  12.381   5.293
  192   HG13  ILE  27          HG13      ILE  27   1.421  13.397   4.685
  193   HG21  ILE  27          HG21      ILE  27  -1.591  13.950   6.994
  194   HG22  ILE  27          HG22      ILE  27  -2.380  15.096   5.883
  195   HG23  ILE  27          HG23      ILE  27  -2.232  13.374   5.430
  196   HD11  ILE  27          HD11      ILE  27   2.042  12.429   6.839
  197   HD12  ILE  27          HD12      ILE  27   1.962  14.211   6.936
  198   HD13  ILE  27          HD13      ILE  27   0.650  13.213   7.641
  199    H    GLN  28           H        GLN  28   1.461  13.841   2.294
  200    HA   GLN  28           HA       GLN  28   3.147  16.241   2.739
  201    HB2  GLN  28           HB2      GLN  28   3.917  13.551   1.450
  202    HB3  GLN  28           HB3      GLN  28   5.007  14.870   1.931
  203    HG2  GLN  28           HG2      GLN  28   3.944  14.540   4.349
  204    HG3  GLN  28           HG3      GLN  28   3.481  12.940   3.719
  205   HE21  GLN  28          HE21      GLN  28   6.020  14.426   5.446
  206   HE22  GLN  28          HE22      GLN  28   7.242  13.296   5.009
  207    H    THR  29           H        THR  29   0.805  16.583   0.890
  208    HA   THR  29           HA       THR  29   1.974  16.422  -1.774
  209    HB   THR  29           HB       THR  29  -0.518  17.912  -0.785
  210    HG1  THR  29           HG1      THR  29  -0.261  15.365  -2.067
  211   HG21  THR  29          HG21      THR  29   0.349  18.926  -2.906
  212   HG22  THR  29          HG22      THR  29  -1.133  17.971  -3.217
  213   HG23  THR  29          HG23      THR  29   0.468  17.300  -3.653
  214    H    LYS  30           H        LYS  30   1.127  19.187   0.517
  215    HA   LYS  30           HA       LYS  30   2.241  21.108  -1.118
  216    HB2  LYS  30           HB2      LYS  30   2.308  22.670   0.631
  217    HB3  LYS  30           HB3      LYS  30   0.870  21.671   0.895
  218    HG2  LYS  30           HG2      LYS  30   3.570  21.417   2.405
  219    HG3  LYS  30           HG3      LYS  30   2.194  22.358   2.980
  220    HD2  LYS  30           HD2      LYS  30   2.157  19.273   2.701
  221    HD3  LYS  30           HD3      LYS  30   2.395  20.231   4.171
  222    HE2  LYS  30           HE2      LYS  30   0.079  21.292   3.746
  223    HE3  LYS  30           HE3      LYS  30  -0.161  20.073   2.463
  224    HZ1  LYS  30           HZ1      LYS  30  -1.137  19.295   4.537
  225    HZ2  LYS  30           HZ2      LYS  30   0.339  19.534   5.401
  226    HZ3  LYS  30           HZ3      LYS  30   0.247  18.296   4.166
  227    H    ILE  31           H        ILE  31   3.985  18.991   1.230
  228    HA   ILE  31           HA       ILE  31   6.368  20.654   0.992
  229    HB   ILE  31           HB       ILE  31   5.669  19.539   3.132
  230   HG12  ILE  31          HG12      ILE  31   8.530  19.020   2.108
  231   HG13  ILE  31          HG13      ILE  31   7.904  20.530   2.826
  232   HG21  ILE  31          HG21      ILE  31   5.170  17.236   2.101
  233   HG22  ILE  31          HG22      ILE  31   6.929  16.981   1.975
  234   HG23  ILE  31          HG23      ILE  31   6.142  17.190   3.570
  235   HD11  ILE  31          HD11      ILE  31   7.431  19.240   4.993
  236   HD12  ILE  31          HD12      ILE  31   8.297  17.840   4.283
  237   HD13  ILE  31          HD13      ILE  31   9.161  19.367   4.563
  238    H    THR  32           H        THR  32   5.321  17.358  -0.262
  239    HA   THR  32           HA       THR  32   7.936  17.232  -1.699
  240    HB   THR  32           HB       THR  32   5.829  15.032  -1.344
  241    HG1  THR  32           HG1      THR  32   8.198  15.500   0.186
  242   HG21  THR  32          HG21      THR  32   7.680  13.531  -2.029
  243   HG22  THR  32          HG22      THR  32   8.769  14.930  -2.264
  244   HG23  THR  32          HG23      THR  32   7.344  14.715  -3.329
  245    H    ASP  33           H        ASP  33   4.354  16.624  -2.338
  246    HA   ASP  33           HA       ASP  33   3.124  16.996  -4.230
  247    HB2  ASP  33           HB2      ASP  33   4.594  19.371  -3.776
  248    HB3  ASP  33           HB3      ASP  33   4.980  19.018  -5.468
  Start of MODEL    9
    1    H1   HIS   1           H1       HIS   1   2.069 -16.990 -12.253
    2    HA   HIS   1           HA       HIS   1   1.521 -17.934 -10.033
    3    HB2  HIS   1           HB2      HIS   1   3.456 -16.634  -9.076
    4    HB3  HIS   1           HB3      HIS   1   2.452 -15.169  -8.996
    5    HD1  HIS   1           HD1      HIS   1   3.635 -16.423  -6.511
    6    HD2  HIS   1           HD2      HIS   1  -0.189 -17.391  -7.985
    7    HE1  HIS   1           HE1      HIS   1   2.354 -17.373  -4.551
    8    H    ALA   2           H        ALA   2  -0.611 -17.889 -11.140
    9    HA   ALA   2           HA       ALA   2  -2.065 -15.259 -10.936
   10    HB1  ALA   2           HB1      ALA   2  -2.203 -17.416 -13.139
   11    HB2  ALA   2           HB2      ALA   2  -3.164 -15.910 -13.081
   12    HB3  ALA   2           HB3      ALA   2  -1.385 -15.834 -13.283
   13    H    ASP   3           H        ASP   3  -4.407 -15.438 -10.609
   14    HA   ASP   3           HA       ASP   3  -6.257 -16.295  -9.593
   15    HB2  ASP   3           HB2      ASP   3  -6.165 -17.753 -11.656
   16    HB3  ASP   3           HB3      ASP   3  -5.326 -19.005 -10.710
   17    H    GLY   4           H        GLY   4  -7.122 -17.639  -7.727
   18    HA2  GLY   4           HA2      GLY   4  -6.189 -19.459  -6.197
   19    HA3  GLY   4           HA3      GLY   4  -4.871 -18.314  -5.855
   20    H    SER   5           H        SER   5  -7.383 -19.346  -4.134
   21    HA   SER   5           HA       SER   5  -8.693 -16.795  -3.601
   22    HB2  SER   5           HB2      SER   5  -9.921 -18.872  -3.152
   23    HB3  SER   5           HB3      SER   5  -8.695 -19.402  -1.970
   24    HG   SER   5           HG       SER   5 -10.496 -18.233  -0.926
   25    H    PHE   6           H        PHE   6  -6.418 -18.881  -1.575
   26    HA   PHE   6           HA       PHE   6  -5.705 -16.413  -0.097
   27    HB2  PHE   6           HB2      PHE   6  -4.665 -17.792   1.540
   28    HB3  PHE   6           HB3      PHE   6  -6.205 -18.571   1.131
   29    HD1  PHE   6           HD1      PHE   6  -2.491 -18.660   0.663
   30    HD2  PHE   6           HD2      PHE   6  -6.169 -20.818   0.060
   31    HE1  PHE   6           HE1      PHE   6  -1.208 -20.667   0.015
   32    HE2  PHE   6           HE2      PHE   6  -4.877 -22.826  -0.580
   33    HZ   PHE   6           HZ       PHE   6  -2.396 -22.757  -0.612
   34    H    SER   7           H        SER   7  -4.199 -18.701  -2.542
   35    HA   SER   7           HA       SER   7  -1.555 -17.883  -2.037
   36    HB2  SER   7           HB2      SER   7  -2.790 -18.637  -4.739
   37    HB3  SER   7           HB3      SER   7  -1.042 -18.453  -4.408
   38    HG   SER   7           HG       SER   7  -1.752 -20.699  -4.084
   39    H    ASP   8           H        ASP   8  -4.198 -16.195  -3.963
   40    HA   ASP   8           HA       ASP   8  -2.458 -14.120  -4.911
   41    HB2  ASP   8           HB2      ASP   8  -5.436 -13.961  -4.134
   42    HB3  ASP   8           HB3      ASP   8  -4.524 -12.685  -4.989
   43    H    GLU   9           H        GLU   9  -4.180 -14.612  -1.740
   44    HA   GLU   9           HA       GLU   9  -3.455 -12.019  -0.740
   45    HB2  GLU   9           HB2      GLU   9  -4.116 -14.566   0.846
   46    HB3  GLU   9           HB3      GLU   9  -3.969 -12.941   1.540
   47    HG2  GLU   9           HG2      GLU   9  -5.901 -12.116   0.270
   48    HG3  GLU   9           HG3      GLU   9  -6.027 -13.630  -0.654
   49    H    MET  10           H        MET  10  -1.291 -14.702  -1.435
   50    HA   MET  10           HA       MET  10   0.384 -14.580   0.770
   51    HB2  MET  10           HB2      MET  10   2.211 -15.341  -0.620
   52    HB3  MET  10           HB3      MET  10   0.715 -16.092  -1.215
   53    HG2  MET  10           HG2      MET  10   1.919 -15.414  -3.190
   54    HG3  MET  10           HG3      MET  10   0.702 -14.123  -3.021
   55    HE1  MET  10           HE1      MET  10   3.614 -14.028  -4.752
   56    HE2  MET  10           HE2      MET  10   2.221 -12.899  -4.796
   57    HE3  MET  10           HE3      MET  10   3.869 -12.275  -4.459
   58    H    ASN  11           H        ASN  11  -0.076 -12.084  -1.830
   59    HA   ASN  11           HA       ASN  11   2.346 -10.689  -0.899
   60    HB2  ASN  11           HB2      ASN  11   1.472 -10.942  -3.371
   61    HB3  ASN  11           HB3      ASN  11   0.350  -9.628  -2.956
   62   HD21  ASN  11          HD21      ASN  11   1.871  -8.980  -5.012
   63   HD22  ASN  11          HD22      ASN  11   3.279  -8.081  -4.593
   64    H    THR  12           H        THR  12  -0.636 -10.920   0.601
   65    HA   THR  12           HA       THR  12  -1.381  -8.206   0.883
   66    HB   THR  12           HB       THR  12  -1.635 -10.509   2.907
   67    HG1  THR  12           HG1      THR  12  -3.411  -9.760   0.779
   68   HG21  THR  12          HG21      THR  12  -3.301  -7.926   2.599
   69   HG22  THR  12          HG22      THR  12  -2.232  -8.321   3.981
   70   HG23  THR  12          HG23      THR  12  -3.696  -9.292   3.677
   71    H    ILE  13           H        ILE  13   1.421 -10.018   2.218
   72    HA   ILE  13           HA       ILE  13   1.899  -8.570   4.529
   73    HB   ILE  13           HB       ILE  13   4.046  -9.301   2.449
   74   HG12  ILE  13          HG12      ILE  13   3.036 -11.419   3.067
   75   HG13  ILE  13          HG13      ILE  13   4.568 -11.259   3.920
   76   HG21  ILE  13          HG21      ILE  13   4.334  -8.501   5.409
   77   HG22  ILE  13          HG22      ILE  13   5.649  -9.157   4.394
   78   HG23  ILE  13          HG23      ILE  13   4.919  -7.593   3.993
   79   HD11  ILE  13          HD11      ILE  13   1.753 -10.874   5.133
   80   HD12  ILE  13          HD12      ILE  13   2.883 -12.216   5.421
   81   HD13  ILE  13          HD13      ILE  13   3.278 -10.588   6.031
   82    H    LEU  14           H        LEU  14   2.901  -7.532   1.129
   83    HA   LEU  14           HA       LEU  14   3.813  -5.044   2.226
   84    HB2  LEU  14           HB2      LEU  14   4.306  -4.249   0.053
   85    HB3  LEU  14           HB3      LEU  14   4.772  -5.955   0.208
   86    HG   LEU  14           HG       LEU  14   2.565  -6.510  -1.089
   87   HD11  LEU  14          HD11      LEU  14   2.722  -3.491  -1.744
   88   HD12  LEU  14          HD12      LEU  14   1.354  -4.303  -0.950
   89   HD13  LEU  14          HD13      LEU  14   1.733  -4.684  -2.626
   90   HD21  LEU  14          HD21      LEU  14   4.801  -4.914  -2.478
   91   HD22  LEU  14          HD22      LEU  14   3.669  -6.022  -3.297
   92   HD23  LEU  14          HD23      LEU  14   4.848  -6.664  -2.127
   93    H    ASP  15           H        ASP  15   0.564  -6.128   1.105
   94    HA   ASP  15           HA       ASP  15  -0.480  -3.608   0.509
   95    HB2  ASP  15           HB2      ASP  15  -1.770  -5.730   0.187
   96    HB3  ASP  15           HB3      ASP  15  -1.957  -5.870   1.959
   97    H    ASN  16           H        ASN  16  -0.058  -5.117   3.811
   98    HA   ASN  16           HA       ASN  16  -1.512  -3.084   5.202
   99    HB2  ASN  16           HB2      ASN  16   0.795  -4.929   6.052
  100    HB3  ASN  16           HB3      ASN  16   0.351  -3.550   7.069
  101   HD21  ASN  16          HD21      ASN  16  -1.804  -5.941   5.205
  102   HD22  ASN  16          HD22      ASN  16  -2.690  -6.334   6.624
  103    H    LEU  17           H        LEU  17   1.848  -3.128   3.854
  104    HA   LEU  17           HA       LEU  17   2.512  -0.653   5.256
  105    HB2  LEU  17           HB2      LEU  17   4.055  -1.711   2.837
  106    HB3  LEU  17           HB3      LEU  17   4.618  -0.679   4.167
  107    HG   LEU  17           HG       LEU  17   4.008  -3.710   4.252
  108   HD11  LEU  17          HD11      LEU  17   6.389  -3.945   4.767
  109   HD12  LEU  17          HD12      LEU  17   6.602  -2.170   4.771
  110   HD13  LEU  17          HD13      LEU  17   6.199  -3.023   3.252
  111   HD21  LEU  17          HD21      LEU  17   4.684  -3.687   6.655
  112   HD22  LEU  17          HD22      LEU  17   3.183  -2.768   6.419
  113   HD23  LEU  17          HD23      LEU  17   4.732  -1.900   6.634
  114    H    ALA  18           H        ALA  18   1.830  -1.607   1.784
  115    HA   ALA  18           HA       ALA  18   2.064   0.950   0.711
  116    HB1  ALA  18           HB1      ALA  18   1.785  -1.101  -0.705
  117    HB2  ALA  18           HB2      ALA  18   0.088  -1.251  -0.160
  118    HB3  ALA  18           HB3      ALA  18   0.588   0.151  -1.152
  119    H    ALA  19           H        ALA  19  -0.787  -0.603   2.355
  120    HA   ALA  19           HA       ALA  19  -2.768   1.161   1.662
  121    HB1  ALA  19           HB1      ALA  19  -2.267   0.013   4.483
  122    HB2  ALA  19           HB2      ALA  19  -3.802   0.746   3.930
  123    HB3  ALA  19           HB3      ALA  19  -3.207  -0.759   3.172
  124    H    ARG  20           H        ARG  20  -0.284   1.618   4.308
  125    HA   ARG  20           HA       ARG  20  -1.323   4.333   4.796
  126    HB2  ARG  20           HB2      ARG  20   0.560   2.516   6.267
  127    HB3  ARG  20           HB3      ARG  20   1.128   4.188   6.161
  128    HG2  ARG  20           HG2      ARG  20  -0.200   3.894   8.190
  129    HG3  ARG  20           HG3      ARG  20  -0.990   5.039   7.099
  130    HD2  ARG  20           HD2      ARG  20  -2.931   3.749   7.528
  131    HD3  ARG  20           HD3      ARG  20  -2.273   2.699   6.305
  132    HE   ARG  20           HE       ARG  20  -1.815   1.084   7.874
  133   HH11  ARG  20          HH12      ARG  20  -2.183   4.246   9.593
  134   HH12  ARG  20          HH11      ARG  20  -2.162   3.462  11.165
  135   HH21  ARG  20          HH22      ARG  20  -1.790   0.198   9.942
  136   HH22  ARG  20          HH21      ARG  20  -1.939   1.229  11.365
  137    H    ASP  21           H        ASP  21   1.398   2.904   2.869
  138    HA   ASP  21           HA       ASP  21   2.928   5.191   2.621
  139    HB2  ASP  21           HB2      ASP  21   3.485   3.083   1.382
  140    HB3  ASP  21           HB3      ASP  21   2.111   3.362   0.278
  141    H    PHE  22           H        PHE  22  -0.159   4.405   0.759
  142    HA   PHE  22           HA       PHE  22   0.053   6.915  -0.612
  143    HB2  PHE  22           HB2      PHE  22  -1.907   6.463  -1.778
  144    HB3  PHE  22           HB3      PHE  22  -1.177   4.873  -1.515
  145    HD1  PHE  22           HD1      PHE  22  -3.795   7.305  -0.389
  146    HD2  PHE  22           HD2      PHE  22  -2.443   3.223  -0.139
  147    HE1  PHE  22           HE1      PHE  22  -5.955   6.654   0.616
  148    HE2  PHE  22           HE2      PHE  22  -4.626   2.572   0.840
  149    HZ   PHE  22           HZ       PHE  22  -6.367   4.287   1.256
  150    H    ILE  23           H        ILE  23  -1.913   5.681   2.225
  151    HA   ILE  23           HA       ILE  23  -3.540   7.921   2.346
  152    HB   ILE  23           HB       ILE  23  -3.285   5.643   4.012
  153   HG12  ILE  23          HG12      ILE  23  -5.375   6.543   3.176
  154   HG13  ILE  23          HG13      ILE  23  -5.424   6.150   4.905
  155   HG21  ILE  23          HG21      ILE  23  -1.787   6.799   5.602
  156   HG22  ILE  23          HG22      ILE  23  -2.966   8.114   5.819
  157   HG23  ILE  23          HG23      ILE  23  -3.360   6.460   6.354
  158   HD11  ILE  23          HD11      ILE  23  -5.315   8.548   5.527
  159   HD12  ILE  23          HD12      ILE  23  -5.095   9.029   3.821
  160   HD13  ILE  23          HD13      ILE  23  -6.627   8.293   4.355
  161    H    ASN  24           H        ASN  24  -0.246   7.561   3.862
  162    HA   ASN  24           HA       ASN  24  -0.429  10.241   5.009
  163    HB2  ASN  24           HB2      ASN  24   1.970   8.360   4.599
  164    HB3  ASN  24           HB3      ASN  24   2.088  10.001   5.290
  165   HD21  ASN  24          HD21      ASN  24   3.031   8.541   7.145
  166   HD22  ASN  24          HD22      ASN  24   1.866   8.055   8.323
  167    H    TRP  25           H        TRP  25   0.845   8.879   1.864
  168    HA   TRP  25           HA       TRP  25   2.321  11.030   1.045
  169    HB2  TRP  25           HB2      TRP  25   2.347   9.585  -0.744
  170    HB3  TRP  25           HB3      TRP  25   0.673   9.093  -0.485
  171    HD1  TRP  25           HD1      TRP  25   2.435  12.198  -2.007
  172    HE1  TRP  25           HE1      TRP  25   0.967  13.044  -3.884
  173    HE3  TRP  25           HE3      TRP  25  -1.578   8.942  -1.520
  174    HZ2  TRP  25           HZ2      TRP  25  -1.465  12.517  -5.033
  175    HZ3  TRP  25           HZ3      TRP  25  -3.451   9.172  -3.141
  176    HH2  TRP  25           HH2      TRP  25  -3.401  10.934  -4.878
  177    H    LEU  26           H        LEU  26  -1.306  10.867   1.057
  178    HA   LEU  26           HA       LEU  26  -1.748  13.272  -0.315
  179    HB2  LEU  26           HB2      LEU  26  -3.310  12.186   2.096
  180    HB3  LEU  26           HB3      LEU  26  -3.883  13.515   1.063
  181    HG   LEU  26           HG       LEU  26  -3.397  10.632   0.046
  182   HD11  LEU  26          HD11      LEU  26  -6.030  12.062   0.730
  183   HD12  LEU  26          HD12      LEU  26  -5.291  10.742   1.682
  184   HD13  LEU  26          HD13      LEU  26  -5.873  10.426   0.029
  185   HD21  LEU  26          HD21      LEU  26  -4.698  13.074  -1.317
  186   HD22  LEU  26          HD22      LEU  26  -4.714  11.410  -1.959
  187   HD23  LEU  26          HD23      LEU  26  -3.179  12.284  -1.819
  188    H    ILE  27           H        ILE  27  -1.083  12.876   3.274
  189    HA   ILE  27           HA       ILE  27  -1.314  15.687   3.740
  190    HB   ILE  27           HB       ILE  27   0.207  13.500   5.232
  191   HG12  ILE  27          HG12      ILE  27  -2.357  13.694   5.373
  192   HG13  ILE  27          HG13      ILE  27  -1.472  13.675   6.916
  193   HG21  ILE  27          HG21      ILE  27   1.649  15.410   5.596
  194   HG22  ILE  27          HG22      ILE  27   0.266  16.492   5.896
  195   HG23  ILE  27          HG23      ILE  27   0.673  15.195   7.064
  196   HD11  ILE  27          HD11      ILE  27  -2.559  16.267   5.618
  197   HD12  ILE  27          HD12      ILE  27  -3.340  15.341   6.918
  198   HD13  ILE  27          HD13      ILE  27  -1.771  16.118   7.212
  199    H    GLN  28           H        GLN  28   1.658  13.670   2.969
  200    HA   GLN  28           HA       GLN  28   3.228  16.159   2.901
  201    HB2  GLN  28           HB2      GLN  28   5.148  14.774   2.314
  202    HB3  GLN  28           HB3      GLN  28   4.338  14.205   3.786
  203    HG2  GLN  28           HG2      GLN  28   3.554  12.215   2.712
  204    HG3  GLN  28           HG3      GLN  28   3.644  12.938   1.084
  205   HE21  GLN  28          HE21      GLN  28   5.825  11.919   3.843
  206   HE22  GLN  28          HE22      GLN  28   7.114  11.453   2.794
  207    H    THR  29           H        THR  29   1.302  16.833   1.160
  208    HA   THR  29           HA       THR  29   2.571  16.404  -1.535
  209    HB   THR  29           HB       THR  29  -0.400  16.776  -0.860
  210    HG1  THR  29           HG1      THR  29   1.001  14.458  -1.717
  211   HG21  THR  29          HG21      THR  29   0.228  17.828  -3.071
  212   HG22  THR  29          HG22      THR  29  -0.732  16.340  -3.306
  213   HG23  THR  29          HG23      THR  29   1.035  16.309  -3.560
  214    H    LYS  30           H        LYS  30   0.280  18.753   0.188
  215    HA   LYS  30           HA       LYS  30   1.437  20.865  -1.460
  216    HB2  LYS  30           HB2      LYS  30  -0.992  20.784  -0.834
  217    HB3  LYS  30           HB3      LYS  30  -0.561  20.976   0.876
  218    HG2  LYS  30           HG2      LYS  30  -1.336  23.109  -0.103
  219    HG3  LYS  30           HG3      LYS  30   0.332  23.228   0.492
  220    HD2  LYS  30           HD2      LYS  30  -0.029  24.434  -1.675
  221    HD3  LYS  30           HD3      LYS  30   1.256  23.218  -1.770
  222    HE2  LYS  30           HE2      LYS  30  -0.115  23.229  -3.811
  223    HE3  LYS  30           HE3      LYS  30  -0.272  21.661  -3.004
  224    HZ1  LYS  30           HZ1      LYS  30  -2.294  23.931  -2.824
  225    HZ2  LYS  30           HZ2      LYS  30  -2.497  22.334  -2.146
  226    HZ3  LYS  30           HZ3      LYS  30  -2.429  22.549  -3.856
  227    H    ILE  31           H        ILE  31   1.506  19.880   2.076
  228    HA   ILE  31           HA       ILE  31   3.167  22.066   2.763
  229    HB   ILE  31           HB       ILE  31   1.894  20.777   4.441
  230   HG12  ILE  31          HG12      ILE  31   4.912  20.988   5.036
  231   HG13  ILE  31          HG13      ILE  31   3.751  22.337   5.073
  232   HG21  ILE  31          HG21      ILE  31   4.120  18.642   4.342
  233   HG22  ILE  31          HG22      ILE  31   2.661  18.624   5.363
  234   HG23  ILE  31          HG23      ILE  31   2.507  18.412   3.621
  235   HD11  ILE  31          HD11      ILE  31   4.114  21.634   7.362
  236   HD12  ILE  31          HD12      ILE  31   2.457  21.142   6.912
  237   HD13  ILE  31          HD13      ILE  31   3.774  19.930   6.992
  238    H    THR  32           H        THR  32   4.077  18.648   1.738
  239    HA   THR  32           HA       THR  32   6.926  19.404   2.089
  240    HB   THR  32           HB       THR  32   5.677  16.787   1.151
  241    HG1  THR  32           HG1      THR  32   6.568  17.539   3.775
  242   HG21  THR  32          HG21      THR  32   7.899  15.796   1.758
  243   HG22  THR  32          HG22      THR  32   8.538  17.428   2.106
  244   HG23  THR  32          HG23      THR  32   8.069  16.986   0.438
  245    H    ASP  33           H        ASP  33   4.730  18.162  -0.619
  246    HA   ASP  33           HA       ASP  33   5.060  18.246  -2.907
  247    HB2  ASP  33           HB2      ASP  33   4.595  20.694  -2.331
  248    HB3  ASP  33           HB3      ASP  33   6.349  20.975  -2.231
  Start of MODEL   10
    1    H1   HIS   1           H1       HIS   1  -5.868 -11.725 -15.343
    2    HA   HIS   1           HA       HIS   1  -7.336 -13.676 -15.533
    3    HB2  HIS   1           HB2      HIS   1  -4.394 -14.169 -16.283
    4    HB3  HIS   1           HB3      HIS   1  -5.649 -15.399 -16.573
    5    HD1  HIS   1           HD1      HIS   1  -4.777 -11.887 -17.652
    6    HD2  HIS   1           HD2      HIS   1  -7.340 -15.084 -18.594
    7    HE1  HIS   1           HE1      HIS   1  -5.855 -11.277 -19.859
    8    H    ALA   2           H        ALA   2  -8.171 -15.371 -14.191
    9    HA   ALA   2           HA       ALA   2  -8.208 -16.962 -12.515
   10    HB1  ALA   2           HB1      ALA   2  -7.047 -18.103 -14.402
   11    HB2  ALA   2           HB2      ALA   2  -5.461 -17.580 -13.764
   12    HB3  ALA   2           HB3      ALA   2  -6.480 -18.705 -12.813
   13    H    ASP   3           H        ASP   3  -8.009 -14.900 -11.011
   14    HA   ASP   3           HA       ASP   3  -5.507 -14.865  -9.465
   15    HB2  ASP   3           HB2      ASP   3  -8.291 -13.690  -8.873
   16    HB3  ASP   3           HB3      ASP   3  -6.859 -13.482  -7.844
   17    H    GLY   4           H        GLY   4  -5.119 -16.170  -7.529
   18    HA2  GLY   4           HA2      GLY   4  -7.130 -18.289  -7.005
   19    HA3  GLY   4           HA3      GLY   4  -5.500 -18.158  -6.316
   20    H    SER   5           H        SER   5  -7.555 -18.723  -4.523
   21    HA   SER   5           HA       SER   5  -8.661 -16.235  -3.475
   22    HB2  SER   5           HB2      SER   5  -9.979 -18.232  -3.154
   23    HB3  SER   5           HB3      SER   5  -8.669 -19.065  -2.298
   24    HG   SER   5           HG       SER   5  -9.959 -16.699  -1.315
   25    H    PHE   6           H        PHE   6  -6.515 -18.575  -1.588
   26    HA   PHE   6           HA       PHE   6  -5.397 -16.246  -0.219
   27    HB2  PHE   6           HB2      PHE   6  -4.949 -19.259   0.049
   28    HB3  PHE   6           HB3      PHE   6  -3.704 -18.152   0.627
   29    HD1  PHE   6           HD1      PHE   6  -7.330 -19.017   1.047
   30    HD2  PHE   6           HD2      PHE   6  -4.011 -16.731   2.551
   31    HE1  PHE   6           HE1      PHE   6  -8.581 -18.556   3.135
   32    HE2  PHE   6           HE2      PHE   6  -5.254 -16.291   4.637
   33    HZ   PHE   6           HZ       PHE   6  -7.542 -17.205   4.938
   34    H    SER   7           H        SER   7  -4.437 -18.271  -3.048
   35    HA   SER   7           HA       SER   7  -1.747 -17.790  -2.980
   36    HB2  SER   7           HB2      SER   7  -3.398 -18.780  -5.033
   37    HB3  SER   7           HB3      SER   7  -2.730 -17.308  -5.771
   38    HG   SER   7           HG       SER   7  -0.603 -18.267  -5.162
   39    H    ASP   8           H        ASP   8  -4.337 -15.493  -4.161
   40    HA   ASP   8           HA       ASP   8  -2.444 -13.417  -4.793
   41    HB2  ASP   8           HB2      ASP   8  -5.451 -13.279  -4.155
   42    HB3  ASP   8           HB3      ASP   8  -4.458 -11.858  -4.578
   43    H    GLU   9           H        GLU   9  -4.328 -14.141  -1.691
   44    HA   GLU   9           HA       GLU   9  -3.327 -11.769  -0.480
   45    HB2  GLU   9           HB2      GLU   9  -4.244 -14.354   0.918
   46    HB3  GLU   9           HB3      GLU   9  -3.718 -12.896   1.781
   47    HG2  GLU   9           HG2      GLU   9  -6.069 -12.723   1.780
   48    HG3  GLU   9           HG3      GLU   9  -5.525 -11.545   0.567
   49    H    MET  10           H        MET  10  -1.388 -14.521  -1.430
   50    HA   MET  10           HA       MET  10   0.410 -14.530   0.749
   51    HB2  MET  10           HB2      MET  10   1.029 -14.801  -2.249
   52    HB3  MET  10           HB3      MET  10   2.213 -15.108  -0.963
   53    HG2  MET  10           HG2      MET  10  -0.435 -16.666  -1.284
   54    HG3  MET  10           HG3      MET  10   1.167 -17.258  -1.781
   55    HE1  MET  10           HE1      MET  10   2.867 -18.069   1.644
   56    HE2  MET  10           HE2      MET  10   3.037 -17.987  -0.139
   57    HE3  MET  10           HE3      MET  10   3.120 -16.485   0.849
   58    H    ASN  11           H        ASN  11  -0.035 -12.040  -1.878
   59    HA   ASN  11           HA       ASN  11   2.325 -10.573  -0.802
   60    HB2  ASN  11           HB2      ASN  11   0.389  -9.807  -3.047
   61    HB3  ASN  11           HB3      ASN  11   1.941  -9.019  -2.671
   62   HD21  ASN  11          HD21      ASN  11   3.988 -10.507  -2.767
   63   HD22  ASN  11          HD22      ASN  11   3.971 -11.737  -3.978
   64    H    THR  12           H        THR  12  -0.352 -10.977   0.874
   65    HA   THR  12           HA       THR  12  -1.295  -8.235   1.079
   66    HB   THR  12           HB       THR  12  -1.573 -10.617   2.999
   67    HG1  THR  12           HG1      THR  12  -3.369  -9.646   0.980
   68   HG21  THR  12          HG21      THR  12  -3.574  -9.381   3.884
   69   HG22  THR  12          HG22      THR  12  -3.139  -7.958   2.903
   70   HG23  THR  12          HG23      THR  12  -2.066  -8.497   4.233
   71    H    ILE  13           H        ILE  13   1.567 -10.033   2.279
   72    HA   ILE  13           HA       ILE  13   1.984  -8.694   4.689
   73    HB   ILE  13           HB       ILE  13   4.149  -9.374   2.609
   74   HG12  ILE  13          HG12      ILE  13   3.104 -11.498   3.157
   75   HG13  ILE  13          HG13      ILE  13   4.640 -11.385   4.008
   76   HG21  ILE  13          HG21      ILE  13   5.020  -7.719   4.206
   77   HG22  ILE  13          HG22      ILE  13   4.415  -8.661   5.591
   78   HG23  ILE  13          HG23      ILE  13   5.736  -9.301   4.571
   79   HD11  ILE  13          HD11      ILE  13   3.366 -10.768   6.146
   80   HD12  ILE  13          HD12      ILE  13   1.834 -11.004   5.247
   81   HD13  ILE  13          HD13      ILE  13   2.948 -12.370   5.485
   82    H    LEU  14           H        LEU  14   3.042  -7.581   1.343
   83    HA   LEU  14           HA       LEU  14   3.933  -5.097   2.473
   84    HB2  LEU  14           HB2      LEU  14   4.409  -4.309   0.268
   85    HB3  LEU  14           HB3      LEU  14   4.859  -6.018   0.418
   86    HG   LEU  14           HG       LEU  14   2.470  -6.466  -0.740
   87   HD11  LEU  14          HD11      LEU  14   3.023  -3.573  -1.683
   88   HD12  LEU  14          HD12      LEU  14   1.634  -4.048  -0.683
   89   HD13  LEU  14          HD13      LEU  14   1.774  -4.667  -2.334
   90   HD21  LEU  14          HD21      LEU  14   3.539  -6.310  -3.004
   91   HD22  LEU  14          HD22      LEU  14   4.654  -7.017  -1.810
   92   HD23  LEU  14          HD23      LEU  14   4.847  -5.309  -2.306
   93    H    ASP  15           H        ASP  15   0.699  -6.192   1.213
   94    HA   ASP  15           HA       ASP  15  -0.393  -3.691   0.700
   95    HB2  ASP  15           HB2      ASP  15  -1.678  -5.817   0.394
   96    HB3  ASP  15           HB3      ASP  15  -1.837  -5.967   2.168
   97    H    ASN  16           H        ASN  16   0.097  -5.287   3.945
   98    HA   ASN  16           HA       ASN  16  -1.356  -3.401   5.454
   99    HB2  ASN  16           HB2      ASN  16   1.364  -4.531   6.349
  100    HB3  ASN  16           HB3      ASN  16   0.012  -4.038   7.396
  101   HD21  ASN  16          HD21      ASN  16  -2.231  -5.425   6.448
  102   HD22  ASN  16          HD22      ASN  16  -1.898  -7.116   6.423
  103    H    LEU  17           H        LEU  17   1.981  -3.210   4.088
  104    HA   LEU  17           HA       LEU  17   2.531  -0.684   5.449
  105    HB2  LEU  17           HB2      LEU  17   4.014  -1.772   2.987
  106    HB3  LEU  17           HB3      LEU  17   4.583  -0.596   4.193
  107    HG   LEU  17           HG       LEU  17   4.172  -3.645   4.584
  108   HD11  LEU  17          HD11      LEU  17   6.605  -3.690   4.923
  109   HD12  LEU  17          HD12      LEU  17   6.700  -1.916   4.718
  110   HD13  LEU  17          HD13      LEU  17   6.228  -2.956   3.341
  111   HD21  LEU  17          HD21      LEU  17   4.959  -1.551   6.701
  112   HD22  LEU  17          HD22      LEU  17   5.067  -3.324   6.908
  113   HD23  LEU  17          HD23      LEU  17   3.476  -2.558   6.706
  114    H    ALA  18           H        ALA  18   1.685  -1.717   2.031
  115    HA   ALA  18           HA       ALA  18   1.879   0.818   0.915
  116    HB1  ALA  18           HB1      ALA  18  -0.177  -1.339   0.139
  117    HB2  ALA  18           HB2      ALA  18   0.348   0.028  -0.887
  118    HB3  ALA  18           HB3      ALA  18   1.514  -1.261  -0.453
  119    H    ALA  19           H        ALA  19  -0.884  -0.670   2.749
  120    HA   ALA  19           HA       ALA  19  -2.913   1.055   2.143
  121    HB1  ALA  19           HB1      ALA  19  -3.747   0.760   4.514
  122    HB2  ALA  19           HB2      ALA  19  -3.185  -0.784   3.804
  123    HB3  ALA  19           HB3      ALA  19  -2.156   0.084   4.979
  124    H    ARG  20           H        ARG  20  -0.206   1.672   4.493
  125    HA   ARG  20           HA       ARG  20  -1.176   4.433   4.933
  126    HB2  ARG  20           HB2      ARG  20   0.998   2.714   6.164
  127    HB3  ARG  20           HB3      ARG  20   1.248   4.460   6.167
  128    HG2  ARG  20           HG2      ARG  20   0.106   3.512   8.235
  129    HG3  ARG  20           HG3      ARG  20  -0.680   4.922   7.508
  130    HD2  ARG  20           HD2      ARG  20  -2.580   3.765   6.844
  131    HD3  ARG  20           HD3      ARG  20  -1.792   2.231   6.565
  132    HE   ARG  20           HE       ARG  20  -2.974   3.196   9.051
  133   HH11  ARG  20          HH12      ARG  20  -0.359   1.039   7.767
  134   HH12  ARG  20          HH11      ARG  20  -0.436   0.007   9.186
  135   HH21  ARG  20          HH22      ARG  20  -2.944   1.823  10.829
  136   HH22  ARG  20          HH21      ARG  20  -1.845   0.443  10.887
  137    H    ASP  21           H        ASP  21   1.380   2.832   2.872
  138    HA   ASP  21           HA       ASP  21   2.896   5.095   2.383
  139    HB2  ASP  21           HB2      ASP  21   3.359   2.924   1.222
  140    HB3  ASP  21           HB3      ASP  21   1.902   3.146   0.212
  141    H    PHE  22           H        PHE  22  -0.331   4.234   0.819
  142    HA   PHE  22           HA       PHE  22  -0.225   6.690  -0.689
  143    HB2  PHE  22           HB2      PHE  22  -2.243   6.131  -1.717
  144    HB3  PHE  22           HB3      PHE  22  -1.487   4.563  -1.400
  145    HD1  PHE  22           HD1      PHE  22  -4.036   7.061  -0.256
  146    HD2  PHE  22           HD2      PHE  22  -2.656   3.000   0.159
  147    HE1  PHE  22           HE1      PHE  22  -6.121   6.474   0.931
  148    HE2  PHE  22           HE2      PHE  22  -4.774   2.412   1.306
  149    HZ   PHE  22           HZ       PHE  22  -6.485   4.150   1.735
  150    H    ILE  23           H        ILE  23  -1.920   5.597   2.376
  151    HA   ILE  23           HA       ILE  23  -3.512   7.914   2.504
  152    HB   ILE  23           HB       ILE  23  -3.189   5.660   4.236
  153   HG12  ILE  23          HG12      ILE  23  -5.307   6.547   3.434
  154   HG13  ILE  23          HG13      ILE  23  -5.289   6.205   5.174
  155   HG21  ILE  23          HG21      ILE  23  -3.174   6.598   6.532
  156   HG22  ILE  23          HG22      ILE  23  -1.618   6.868   5.718
  157   HG23  ILE  23          HG23      ILE  23  -2.772   8.214   5.896
  158   HD11  ILE  23          HD11      ILE  23  -4.986   9.057   4.001
  159   HD12  ILE  23          HD12      ILE  23  -6.503   8.342   4.605
  160   HD13  ILE  23          HD13      ILE  23  -5.148   8.619   5.725
  161    H    ASN  24           H        ASN  24  -0.142   7.387   3.746
  162    HA   ASN  24           HA       ASN  24  -0.067  10.183   4.692
  163    HB2  ASN  24           HB2      ASN  24   1.945   7.874   4.798
  164    HB3  ASN  24           HB3      ASN  24   2.493   9.528   5.043
  165   HD21  ASN  24          HD21      ASN  24   0.841   6.888   6.717
  166   HD22  ASN  24          HD22      ASN  24   0.548   7.808   8.145
  167    H    TRP  25           H        TRP  25   0.009   9.046   1.507
  168    HA   TRP  25           HA       TRP  25   2.116  10.966   0.720
  169    HB2  TRP  25           HB2      TRP  25   2.146   9.595  -1.109
  170    HB3  TRP  25           HB3      TRP  25   0.563   8.907  -0.748
  171    HD1  TRP  25           HD1      TRP  25   1.911  12.230  -2.280
  172    HE1  TRP  25           HE1      TRP  25   0.286  12.964  -4.065
  173    HE3  TRP  25           HE3      TRP  25  -1.725   8.568  -1.711
  174    HZ2  TRP  25           HZ2      TRP  25  -2.113  12.199  -5.154
  175    HZ3  TRP  25           HZ3      TRP  25  -3.694   8.652  -3.240
  176    HH2  TRP  25           HH2      TRP  25  -3.882  10.434  -4.949
  177    H    LEU  26           H        LEU  26  -1.525  10.746   0.787
  178    HA   LEU  26           HA       LEU  26  -2.117  13.081  -0.561
  179    HB2  LEU  26           HB2      LEU  26  -3.428  12.182   2.059
  180    HB3  LEU  26           HB3      LEU  26  -4.099  13.398   0.945
  181    HG   LEU  26           HG       LEU  26  -3.734  10.394   0.284
  182   HD11  LEU  26          HD11      LEU  26  -6.278  12.048   0.761
  183   HD12  LEU  26          HD12      LEU  26  -5.580  10.873   1.915
  184   HD13  LEU  26          HD13      LEU  26  -6.204  10.314   0.343
  185   HD21  LEU  26          HD21      LEU  26  -5.046  10.926  -1.799
  186   HD22  LEU  26          HD22      LEU  26  -3.459  11.712  -1.814
  187   HD23  LEU  26          HD23      LEU  26  -4.916  12.668  -1.425
  188    H    ILE  27           H        ILE  27  -1.025  12.829   2.898
  189    HA   ILE  27           HA       ILE  27  -1.318  15.661   3.293
  190    HB   ILE  27           HB       ILE  27  -0.101  15.462   5.376
  191   HG12  ILE  27          HG12      ILE  27   0.559  12.878   5.998
  192   HG13  ILE  27          HG13      ILE  27   0.874  12.819   4.259
  193   HG21  ILE  27          HG21      ILE  27  -2.509  14.755   5.266
  194   HG22  ILE  27          HG22      ILE  27  -1.997  13.058   5.045
  195   HG23  ILE  27          HG23      ILE  27  -1.602  13.923   6.552
  196   HD11  ILE  27          HD11      ILE  27   2.432  14.879   4.594
  197   HD12  ILE  27          HD12      ILE  27   2.151  14.692   6.341
  198   HD13  ILE  27          HD13      ILE  27   2.954  13.386   5.422
  199    H    GLN  28           H        GLN  28   1.468  13.731   1.983
  200    HA   GLN  28           HA       GLN  28   3.023  16.295   1.965
  201    HB2  GLN  28           HB2      GLN  28   5.042  14.929   1.518
  202    HB3  GLN  28           HB3      GLN  28   4.304  14.521   3.070
  203    HG2  GLN  28           HG2      GLN  28   3.465  12.439   2.247
  204    HG3  GLN  28           HG3      GLN  28   3.663  12.880   0.536
  205   HE21  GLN  28          HE21      GLN  28   6.014  13.257  -0.247
  206   HE22  GLN  28          HE22      GLN  28   7.204  12.227   0.462
  207    H    THR  29           H        THR  29   0.883  16.147   0.061
  208    HA   THR  29           HA       THR  29   2.149  15.241  -2.459
  209    HB   THR  29           HB       THR  29  -0.531  16.621  -1.911
  210    HG1  THR  29           HG1      THR  29  -0.250  14.307  -1.341
  211   HG21  THR  29          HG21      THR  29  -1.022  16.066  -4.306
  212   HG22  THR  29          HG22      THR  29   0.679  15.572  -4.550
  213   HG23  THR  29          HG23      THR  29   0.284  17.280  -4.183
  214    H    LYS  30           H        LYS  30   0.953  18.445  -1.100
  215    HA   LYS  30           HA       LYS  30   2.322  19.809  -3.264
  216    HB2  LYS  30           HB2      LYS  30   0.171  20.607  -2.283
  217    HB3  LYS  30           HB3      LYS  30   0.981  20.893  -0.726
  218    HG2  LYS  30           HG2      LYS  30   0.640  23.000  -1.990
  219    HG3  LYS  30           HG3      LYS  30   2.361  22.693  -1.670
  220    HD2  LYS  30           HD2      LYS  30   1.924  23.623  -3.937
  221    HD3  LYS  30           HD3      LYS  30   2.749  22.056  -4.036
  222    HE2  LYS  30           HE2      LYS  30   0.638  20.921  -4.680
  223    HE3  LYS  30           HE3      LYS  30  -0.302  22.405  -4.365
  224    HZ1  LYS  30           HZ1      LYS  30   0.842  23.532  -6.216
  225    HZ2  LYS  30           HZ2      LYS  30   0.166  22.040  -6.783
  226    HZ3  LYS  30           HZ3      LYS  30   1.878  22.154  -6.472
  227    H    ILE  31           H        ILE  31   3.195  18.995   0.163
  228    HA   ILE  31           HA       ILE  31   5.074  21.015   0.485
  229    HB   ILE  31           HB       ILE  31   4.357  19.335   2.272
  230   HG12  ILE  31          HG12      ILE  31   6.562  19.211   3.482
  231   HG13  ILE  31          HG13      ILE  31   7.389  19.835   2.035
  232   HG21  ILE  31          HG21      ILE  31   4.862  17.267   0.834
  233   HG22  ILE  31          HG22      ILE  31   6.593  17.545   1.140
  234   HG23  ILE  31          HG23      ILE  31   5.499  17.202   2.502
  235   HD11  ILE  31          HD11      ILE  31   6.904  21.582   3.827
  236   HD12  ILE  31          HD12      ILE  31   6.159  22.019   2.276
  237   HD13  ILE  31          HD13      ILE  31   5.156  21.326   3.586
  238    H    THR  32           H        THR  32   5.424  17.927  -1.376
  239    HA   THR  32           HA       THR  32   8.136  18.900  -2.246
  240    HB   THR  32           HB       THR  32   7.159  16.016  -1.875
  241    HG1  THR  32           HG1      THR  32   9.082  17.511  -0.379
  242   HG21  THR  32          HG21      THR  32   8.748  16.212  -3.823
  243   HG22  THR  32          HG22      THR  32   9.532  15.416  -2.431
  244   HG23  THR  32          HG23      THR  32   9.897  17.125  -2.803
  245    H    ASP  33           H        ASP  33   5.349  16.716  -3.374
  246    HA   ASP  33           HA       ASP  33   4.384  16.600  -5.451
  247    HB2  ASP  33           HB2      ASP  33   4.130  19.128  -4.909
  248    HB3  ASP  33           HB3      ASP  33   5.486  19.417  -6.024