*HEADER    HORMONE                                 12-NOV-10   2L64              
*TITLE     NMR SOLUTION STRUCTURE OF GLP-2 IN DHPC MICELLES                      
*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 2L64    0                                                


  1 HIS  QB      2 ALA  H       4.71            #peak     1
  2 ALA  H       2 ALA  HA      4.11            #peak     2
  2 ALA  HA      3 ASP  H       3.67            #peak     3
  3 ASP  H       3 ASP  HA      4.57            #peak     4
  3 ASP  HA      4 GLY  H       4.76            #peak     5
  4 GLY  H       4 GLY  QA      3.40            #peak     6
  4 GLY  QA      5 SER  H       3.53            #peak     7
  5 SER  H       5 SER  QB      3.75            #peak     8
  5 SER  H       5 SER  HA      3.55            #peak     9
  5 SER  HA      6 PHE  H       2.80            #peak    10
  6 PHE  H       6 PHE  HA      3.83            #peak    11
  6 PHE  HA      7 SER  H       3.76            #peak    12
  4 GLY  QA      6 PHE  H       5.23            #peak    13
  5 SER  QB      6 PHE  H       4.15            #peak    14
  7 SER  H       7 SER  HB3     2.49            #peak    15
  7 SER  H       7 SER  HB2     2.40            #peak    16
  7 SER  H       7 SER  HA      2.65            #peak    17
  7 SER  HA      8 ASP  H       3.86            #peak    18
  7 SER  HB3     8 ASP  H       3.89            #peak    19
  7 SER  HB2     8 ASP  H       3.58            #peak    20
  8 ASP  H       8 ASP  HA      3.70            #peak    21
  8 ASP  HA      9 GLU  H       4.07            #peak    22
  9 GLU  H       9 GLU  HA      3.76            #peak    23
  9 GLU  HA     10 MET  H       3.33            #peak    24
  9 GLU  HA     12 THR  H       3.76            #peak    25
 12 THR  H      12 THR  HA      3.83            #peak    26
  6 PHE  QB      7 SER  H       3.78            #peak    27
  3 ASP  H       3 ASP  HB3     4.66            #peak    28
  3 ASP  H       3 ASP  HB2     3.21            #peak    29
  3 ASP  HB3     4 GLY  H       3.52            #peak    30
  3 ASP  HB2     4 GLY  H       3.70            #peak    31
 32 THR  HA     33 ASP  H       3.61            #peak    34
 32 THR  H      32 THR  HA      3.45            #peak    35
 32 THR  H      32 THR  HB      2.59            #peak    36
 32 THR  HB     33 ASP  H       3.64            #peak    37
 31 ILE  HA     32 THR  H       3.55            #peak    38
 31 ILE  HA     33 ASP  H       3.79            #peak    39
 12 THR  H      12 THR  HB      3.92            #peak    40
 28 GLN  H      28 GLN  HA      3.33            #peak    41
 28 GLN  HA     29 THR  H       3.76            #peak    42
 30 LYS  H      30 LYS  HA      3.45            #peak    43
 31 ILE  H      31 ILE  HA      3.36            #peak    44
 30 LYS  HA     31 ILE  H       3.61            #peak    45
 33 ASP  H      33 ASP  HA      5.50            #peak    46
 29 THR  HA     32 THR  H       5.25            #peak    47
 28 GLN  HA     32 THR  H       3.89            #peak    48
 28 GLN  H      28 GLN  QB      3.28            #peak    49
 28 GLN  QB     29 THR  H       3.28            #peak    50
 31 ILE  HB     33 ASP  H       4.97            #peak    55
 31 ILE  HB     32 THR  H       3.67            #peak    56
 31 ILE  H      31 ILE  HB      3.45            #peak    57
 30 LYS  H      30 LYS  QB      4.33            #peak    58
 30 LYS  QB     32 THR  H       5.05            #peak    59
 30 LYS  QB     31 ILE  H       4.33            #peak    62
 27 ILE  HA     28 GLN  H       3.55            #peak    77
 27 ILE  H      27 ILE  HB      3.08            #peak    78
 27 ILE  HB     28 GLN  H       2.99            #peak    79
 33 ASP  H      33 ASP  QB      3.44            #peak    86
  5 SER  HA      8 ASP  H       4.20            #peak    87
 16 ASN  H      16 ASN  HA      3.42            #peak    90
 12 THR  HB     13 ILE  H       4.04            #peak    98
 16 ASN  HA     17 LEU  H       4.01            #peak    99
  6 PHE  QB      9 GLU  H       5.26            #peak   100
 12 THR  HB     16 ASN  H       4.26            #peak   101
 12 THR  HA     16 ASN  H       4.66            #peak   102
 10 MET  H      10 MET  HB2     2.55            #peak   104
 10 MET  H      10 MET  HB3     3.27            #peak   105
 10 MET  HB2    11 ASN  H       3.52            #peak   106
  9 GLU  H       9 GLU  QB      4.61            #peak   109
  9 GLU  QB     10 MET  H       4.43            #peak   110
  9 GLU  QB     11 ASN  H       5.17            #peak   113
 11 ASN  H      11 ASN  HB3     3.33            #peak   114
 11 ASN  HB3    12 THR  H       4.01            #peak   115
 11 ASN  H      11 ASN  HB2     3.64            #peak   116
 11 ASN  HB2    12 THR  H       3.98            #peak   117
 11 ASN  H      11 ASN  HA      3.33            #peak   118
 11 ASN  HA     12 THR  H       3.45            #peak   119
 12 THR  HA     13 ILE  H       3.89            #peak   120
 13 ILE  H      13 ILE  HA      3.64            #peak   121
 13 ILE  H      13 ILE  HB      3.61            #peak   122
 13 ILE  HB     14 LEU  H       3.83            #peak   127
 26 LEU  H      26 LEU  QB      4.68            #peak   130
 26 LEU  QB     27 ILE  H       5.42            #peak   131
 14 LEU  H      14 LEU  QB      4.55            #peak   133
 14 LEU  QB     15 ASP  H       5.02            #peak   136
 17 LEU  H      17 LEU  HB3     3.24            #peak   140
 17 LEU  H      17 LEU  HB2     3.24            #peak   141
 27 ILE  H      27 ILE  HA      3.08            #peak   142
 26 LEU  H      26 LEU  HA      3.98            #peak   143
 14 LEU  H      14 LEU  HA      3.61            #peak   144
 10 MET  H      10 MET  HA      3.58            #peak   145
 14 LEU  HA     15 ASP  H       3.58            #peak   146
 15 ASP  H      15 ASP  HA      2.83            #peak   147
 14 LEU  HA     17 LEU  H       3.86            #peak   148
 19 ALA  H      19 ALA  HA      3.45            #peak   149
 19 ALA  HA     20 ARG  H       3.89            #peak   150
 18 ALA  H      18 ALA  HA      2.99            #peak   151
 18 ALA  HA     19 ALA  H       4.35            #peak   152
 17 LEU  H      17 LEU  HA      3.30            #peak   153
 20 ARG  H      20 ARG  HB3     3.11            #peak   154
 20 ARG  H      20 ARG  HB2     3.79            #peak   155
 21 ASP  H      21 ASP  HB2     3.33            #peak   157
 20 ARG  HB2    21 ASP  H       3.27            #peak   158
 23 ILE  HA     24 ASN  H       3.58            #peak   166
 22 PHE  H      22 PHE  QB      4.49            #peak   167
 22 PHE  QB     23 ILE  H       4.27            #peak   168
 25 TRP  H      25 TRP  HA      3.76            #peak   169
 25 TRP  HA     28 GLN  H       5.50            #peak   170
 24 ASN  H      24 ASN  HA      4.23            #peak   171
 21 ASP  H      21 ASP  HA      3.58            #peak   172
 25 TRP  HA     26 LEU  H       3.58            #peak   173
 24 ASN  HA     25 TRP  H       3.67            #peak   174
 13 ILE  HB     17 LEU  H       4.51            #peak   175
  6 PHE  H       7 SER  H       3.21            #peak   178
  5 SER  H       6 PHE  H       3.36            #peak   179
  2 ALA  H       3 ASP  H       3.86            #peak   180
  3 ASP  H       4 GLY  H       3.27            #peak   181
  4 GLY  H       5 SER  H       2.74            #peak   182
 20 ARG  H      21 ASP  H       3.52            #peak   183
 14 LEU  H      15 ASP  H       3.30            #peak   184
 13 ILE  H      14 LEU  H       3.14            #peak   185
 18 ALA  H      19 ALA  H       3.79            #peak   186
  7 SER  H       8 ASP  H       3.89            #peak   187
 14 LEU  H      16 ASN  H       4.14            #peak   188
 11 ASN  H      12 THR  H       3.30            #peak   189
 12 THR  H      13 ILE  H       3.70            #peak   190
 31 ILE  H      32 THR  H       3.08            #peak   191
 28 GLN  H      29 THR  H       3.11            #peak   192
 32 THR  H      33 ASP  H       2.40            #peak   193
 31 ILE  H      33 ASP  H       2.96            #peak   194
 15 ASP  H      16 ASN  H       3.30            #peak   195
 19 ALA  H      20 ARG  H       3.27            #peak   196
 23 ILE  H      24 ASN  H       4.04            #peak   197
 25 TRP  H      26 LEU  H       3.83            #peak   198
 18 ALA  H      20 ARG  H       4.60            #peak   199
 27 ILE  H      28 GLN  H       3.33            #peak   200
 10 MET  H      11 ASN  H       3.17            #peak   201
  8 ASP  H      10 MET  H       3.76            #peak   202
 16 ASN  H      16 ASN  HB3     2.83            #peak   212
 16 ASN  H      16 ASN  HB2     2.93            #peak   213
 15 ASP  H      15 ASP  HB2     2.77            #peak   214
 15 ASP  H      15 ASP  HB3     3.08            #peak   215
 24 ASN  H      24 ASN  QB      4.30            #peak   216
 24 ASN  QB     25 TRP  H       4.61            #peak   217
 25 TRP  H      25 TRP  QB      4.61            #peak   218
 25 TRP  QB     26 LEU  H       4.61            #peak   219
 21 ASP  H      21 ASP  HB3     3.55            #peak   220
  8 ASP  H       8 ASP  QB      3.65            #peak   312
  8 ASP  QB      9 GLU  H       3.72            #peak   313
  1 HIS  HA      2 ALA  H       2.65            #peak   314
  6 PHE  H       6 PHE  QB      3.28            #peak   316
  6 PHE  HA      9 GLU  H       4.20            #peak   326
  7 SER  HA     10 MET  H       3.52            #peak   327
  8 ASP  HA     11 ASN  H       3.76            #peak   328
 10 MET  HA     13 ILE  H       3.89            #peak   329
 20 ARG  H      20 ARG  HA      3.39            #peak   330
 20 ARG  HA     24 ASN  H       4.20            #peak   331
 13 ILE  HA     16 ASN  H       3.95            #peak   332
 16 ASN  HA     19 ALA  H       5.10            #peak   333
 18 ALA  HA     21 ASP  H       4.01            #peak   334
 19 ALA  HA     22 PHE  H       5.50            #peak   335
 24 ASN  HA     27 ILE  H       4.66            #peak   336
 29 THR  H      29 THR  HA      3.55            #peak   337
 29 THR  H      29 THR  HB      3.67            #peak   338
 27 ILE  HA     30 LYS  H       5.50            #peak   339
 26 LEU  HA     27 ILE  H       3.55            #peak   340
 23 ILE  H      23 ILE  HB      3.61            #peak   341
 22 PHE  HA     23 ILE  H       5.41            #peak   342
 17 LEU  HA     20 ARG  H       4.48            #peak   343
 12 THR  HA     15 ASP  H       3.67            #peak   344
 11 ASN  HA     14 LEU  H       4.04            #peak   345
 15 ASP  HA     19 ALA  H       4.11            #peak   346
 21 ASP  HA     24 ASN  H       5.22            #peak   347
 22 PHE  H      22 PHE  HA      3.70            #peak   348
 23 ILE  H      23 ILE  HA      3.86            #peak   349
 23 ILE  HA     26 LEU  H       5.50            #peak   350
 26 LEU  HA     29 THR  H       5.50            #peak   351
 28 GLN  HA     31 ILE  H       5.41            #peak   352
 15 ASP  HA     16 ASN  H       4.72            #peak   353
 22 PHE  HA     26 LEU  H       5.50            #peak   354
 21 ASP  HA     25 TRP  H       4.79            #peak   355
 25 TRP  HA     27 ILE  H       4.17            #peak   356
 10 MET  H      10 MET  QG      6.38            #peak    33
 28 GLN  H      28 GLN  HG2     3.95            #peak    51
 28 GLN  H      28 GLN  HG3     4.85            #peak    52
 28 GLN  HG3    29 THR  H       5.50            #peak    53
 28 GLN  HG2    29 THR  H       5.50            #peak    54
 30 LYS  H      30 LYS  QD      6.32            #peak    60
 30 LYS  QD     31 ILE  H       6.32            #peak    61
 31 ILE  H      31 ILE  QG1     3.96            #peak    63
 31 ILE  QG1    32 THR  H       5.73            #peak    64
 30 LYS  H      30 LYS  QG      6.20            #peak    65
 30 LYS  QG     31 ILE  H       6.35            #peak    66
 27 ILE  H      27 ILE  HG13    5.50            #peak    80
 27 ILE  H      27 ILE  HG12    3.48            #peak    81
 27 ILE  HG12   29 THR  H       5.50            #peak    82
 27 ILE  HG13   28 GLN  H       5.50            #peak    83
  9 GLU  H       9 GLU  QG      4.21            #peak   103
 10 MET  QG     11 ASN  H       6.38            #peak   108
  9 GLU  QG     10 MET  H       6.20            #peak   111
  9 GLU  QG     11 ASN  H       6.38            #peak   112
 13 ILE  H      13 ILE  HG13    3.55            #peak   123
 26 LEU  HG     27 ILE  H       5.04            #peak   132
 14 LEU  H      14 LEU  HG      4.91            #peak   134
 13 ILE  HG13   14 LEU  H       4.57            #peak   135
 14 LEU  HG     15 ASP  H       5.50            #peak   137
 26 LEU  H      26 LEU  HG      4.26            #peak   138
 17 LEU  H      17 LEU  HG      4.11            #peak   139
 20 ARG  H      20 ARG  QG      5.36            #peak   156
 20 ARG  QG     21 ASP  H       5.61            #peak   159
 23 ILE  H      23 ILE  HG12    5.50            #peak   162
 23 ILE  H      23 ILE  HG13    5.16            #peak   163
 13 ILE  H      13 ILE  HG12    3.76            #peak   176
 13 ILE  HG13   16 ASN  H       5.50            #peak   177
 11 ASN  HB2    11 ASN  HD21    4.88            #peak   203
 11 ASN  HB3    11 ASN  HD22    3.27            #peak   204
 11 ASN  HB2    11 ASN  HD22    3.89            #peak   205
 28 GLN  HG3    28 GLN  HE22    5.47            #peak   206
 28 GLN  HG2    28 GLN  HE22    4.60            #peak   207
 28 GLN  HG2    28 GLN  HE21    4.14            #peak   208
 28 GLN  HG3    28 GLN  HE21    4.01            #peak   209
 20 ARG  H      20 ARG  QD      5.17            #peak   210
 11 ASN  HB3    11 ASN  HD21    4.63            #peak   211
 25 TRP  QB     25 TRP  HE3     4.74            #peak   221
 24 ASN  QB     24 ASN  HD21    4.09            #peak   222
 24 ASN  QB     24 ASN  HD22    3.28            #peak   223
 22 PHE  QB     22 PHE  QD      7.61            #peak   224
 23 ILE  HA     24 ASN  HD22    4.66            #peak   225
  6 PHE  QB      6 PHE  QD      5.41            #peak   226
  6 PHE  QB      6 PHE  QE      8.23            #peak   227
 16 ASN  HB3    16 ASN  HD21    3.36            #peak   228
 16 ASN  HB2    16 ASN  HD21    3.27            #peak   229
 16 ASN  HB3    16 ASN  HD22    3.92            #peak   230
 16 ASN  HB2    16 ASN  HD22    4.48            #peak   231
 21 ASP  HB3    24 ASN  HD22    4.48            #peak   232
  3 ASP  HB3     6 PHE  QD      7.63            #peak   233
 22 PHE  QB     22 PHE  QE      7.46            #peak   236
 22 PHE  QE     26 LEU  HG      7.63            #peak   248
 23 ILE  HG13   24 ASN  HD21    4.26            #peak   251
 23 ILE  HG13   24 ASN  HD22    5.22            #peak   252
 25 TRP  HE3    26 LEU  QB      6.38            #peak   253
 22 PHE  QE     23 ILE  HG13    6.67            #peak   254
 23 ILE  HB     25 TRP  HE3     4.91            #peak   255
  6 PHE  QD     10 MET  HB3     5.02            #peak   256
  6 PHE  QE     10 MET  HB3     5.80            #peak   257
 20 ARG  HB2    25 TRP  HE3     5.50            #peak   258
 20 ARG  HB2    24 ASN  HD22    5.50            #peak   259
  6 PHE  QE     10 MET  HB2     7.63            #peak   260
  6 PHE  QD      9 GLU  QB      8.51            #peak   261
  6 PHE  QE     10 MET  QG      8.51            #peak   263
  6 PHE  QD     10 MET  QG      7.36            #peak   264
 11 ASN  HD22   15 ASP  HB2     4.32            #peak   265
 12 THR  HB     16 ASN  HD21    5.22            #peak   266
 12 THR  HB     16 ASN  HD22    4.32            #peak   267
 22 PHE  HA     25 TRP  HE3     5.50            #peak   268
 22 PHE  HA     24 ASN  HD22    5.50            #peak   269
  5 SER  QB      6 PHE  QD      8.51            #peak   270
  4 GLY  QA      6 PHE  QD      8.32            #peak   271
 22 PHE  HA     24 ASN  HD21    5.50            #peak   272
  6 PHE  QD      9 GLU  HA      7.63            #peak   273
  6 PHE  QE      8 ASP  HA      7.63            #peak   274
 28 GLN  HE22   32 THR  HB      5.50            #peak   275
  6 PHE  QD      8 ASP  HA      5.02            #peak   276
  6 PHE  QD     10 MET  HA      7.10            #peak   277
 10 MET  HA     11 ASN  HD21    5.50            #peak   278
  6 PHE  HA      6 PHE  QD      5.21            #peak   279
 24 ASN  HD22   25 TRP  HA      5.28            #peak   280
 24 ASN  HA     24 ASN  HD22    4.04            #peak   281
 24 ASN  HA     24 ASN  HD21    3.14            #peak   282
  6 PHE  HA      6 PHE  QE      6.27            #peak   283
 16 ASN  HD22   16 ASN  HD21    2.40            #peak   284
 11 ASN  HD22   11 ASN  HD21    2.46            #peak   285
 28 GLN  HE22   28 GLN  HE21    2.40            #peak   286
 22 PHE  QE     25 TRP  HE3     7.20            #peak   287
 24 ASN  HD21   25 TRP  HE3     4.85            #peak   288
 22 PHE  QE     24 ASN  HD21    6.67            #peak   289
 22 PHE  QE     24 ASN  HD22    4.53            #peak   290
  6 PHE  QE      6 PHE  QD      6.66            #peak   291
 25 TRP  HZ3    25 TRP  HE3     2.40            #peak   292
 25 TRP  HZ3    26 LEU  HG      5.50            #peak   296
 16 ASN  HA     16 ASN  HD22    4.69            #peak   297
 16 ASN  HA     16 ASN  HD21    5.31            #peak   298
 10 MET  HA     11 ASN  HD22    5.50            #peak   299
 22 PHE  QE     25 TRP  HZ3     5.96            #peak   300
 24 ASN  HD22   25 TRP  HZ3     4.88            #peak   301
 24 ASN  HD21   25 TRP  HZ3     4.94            #peak   302
  6 PHE  H       6 PHE  QD      7.07            #peak   303
 24 ASN  HD22   25 TRP  H       3.89            #peak   304
 24 ASN  HD22   26 LEU  H       4.91            #peak   305
 24 ASN  H      24 ASN  HD21    2.59            #peak   306
 24 ASN  H      24 ASN  HD22    3.83            #peak   307
  6 PHE  QD     10 MET  H       7.07            #peak   308
  6 PHE  QD      7 SER  H       6.36            #peak   309
 16 ASN  H      16 ASN  HD21    4.32            #peak   310
 16 ASN  H      16 ASN  HD22    5.34            #peak   311
  6 PHE  QE      7 SER  HA      6.80            #peak   357
  6 PHE  QD      7 SER  HA      7.60            #peak   358
 25 TRP  HZ3    26 LEU  HA      4.72            #peak   359
  6 PHE  QD      9 GLU  QG      8.51            #peak   360
 23 ILE  HB     24 ASN  HD22    5.50            #peak   361
 23 ILE  HG12   24 ASN  HD22    4.45            #peak   362
 23 ILE  HG12   24 ASN  HD21    4.91            #peak   363
 23 ILE  HA     24 ASN  HD21    4.82            #peak   364
 20 ARG  HB2    24 ASN  HD21    4.29            #peak   365
 10 MET  H      10 MET  QE      5.09            #peak    32
 29 THR  H      29 THR  QG2     4.69            #peak    67
 29 THR  QG2    30 LYS  H       4.69            #peak    68
 32 THR  H      32 THR  QG2     3.42            #peak    69
 32 THR  QG2    33 ASP  H       3.60            #peak    70
 31 ILE  H      31 ILE  QG2     3.42            #peak    71
 31 ILE  H      31 ILE  QD1     3.89            #peak    72
 31 ILE  QD1    32 THR  H       3.67            #peak    73
 31 ILE  QG2    32 THR  H       3.45            #peak    74
 31 ILE  QG2    33 ASP  H       4.81            #peak    75
 12 THR  H      12 THR  QG2     3.76            #peak    76
 23 ILE  QG2    27 ILE  H       6.33            #peak    84
 23 ILE  QD1    27 ILE  H       6.52            #peak    85
 26 LEU  H      26 LEU  QD1     4.54            #peak    88
 26 LEU  QD1    27 ILE  H       4.32            #peak    89
 18 ALA  H      18 ALA  QB      3.57            #peak    91
 18 ALA  QB     19 ALA  H       5.06            #peak    92
 19 ALA  H      19 ALA  QB      4.10            #peak    93
 19 ALA  QB     20 ARG  H       6.05            #peak    94
 18 ALA  QB     20 ARG  H       5.71            #peak    95
  2 ALA  H       2 ALA  QB      3.42            #peak    96
  2 ALA  QB      3 ASP  H       3.42            #peak    97
 10 MET  QE     11 ASN  H       5.96            #peak   107
 13 ILE  H      13 ILE  QG2     3.64            #peak   124
 13 ILE  H      13 ILE  QD1     5.00            #peak   125
 13 ILE  QD1    14 LEU  H       5.56            #peak   126
 14 LEU  H      14 LEU  QD1     4.26            #peak   128
 17 LEU  H      17 LEU  QD1     4.04            #peak   129
 23 ILE  H      23 ILE  QD1     4.72            #peak   160
 23 ILE  H      23 ILE  QG2     4.35            #peak   161
 23 ILE  QD1    24 ASN  H       6.52            #peak   164
 23 ILE  QG2    24 ASN  H       6.33            #peak   165
 23 ILE  QD1    25 TRP  HE3     4.63            #peak   234
 23 ILE  QG2    25 TRP  HE3     4.53            #peak   235
 22 PHE  QE     23 ILE  QD1     6.11            #peak   237
 22 PHE  QE     23 ILE  QG2     7.16            #peak   238
 24 ASN  HD21   27 ILE  QG2     3.91            #peak   239
 24 ASN  HD22   27 ILE  QG2     3.42            #peak   240
 26 LEU  QD1    28 GLN  HE22    6.52            #peak   241
 28 GLN  HE22   31 ILE  QG2     5.93            #peak   242
 28 GLN  HE21   31 ILE  QG2     5.03            #peak   243
 25 TRP  HE3    27 ILE  QG2     5.74            #peak   244
 12 THR  QG2    16 ASN  HD22    4.53            #peak   245
 12 THR  QG2    16 ASN  HD21    4.53            #peak   246
  2 ALA  QB      6 PHE  QD      5.55            #peak   247
  2 ALA  QB      6 PHE  QE      8.56            #peak   249
 19 ALA  QB     24 ASN  HD22    5.34            #peak   250
  6 PHE  QD     10 MET  QE      6.97            #peak   262
 25 TRP  HZ3    26 LEU  QD1     6.52            #peak   293
 25 TRP  HZ3    27 ILE  QG2     6.52            #peak   294
 25 TRP  HZ3    31 ILE  QD1     6.09            #peak   295
  2 ALA  QB      4 GLY  H       3.42            #peak   315
 27 ILE  H      27 ILE  QD1     4.41            #peak   317
 27 ILE  H      27 ILE  QG2     3.64            #peak   318
 23 ILE  QD1    24 ASN  HD21    4.23            #peak   319
 23 ILE  QG2    24 ASN  HD21    4.94            #peak   320
 23 ILE  QD1    24 ASN  HD22    3.42            #peak   321
 23 ILE  QG2    24 ASN  HD22    5.03            #peak   322
 23 ILE  QD1    25 TRP  HZ3     5.87            #peak   323
 23 ILE  QG2    25 TRP  HZ3     5.15            #peak   324
 12 THR  QG2    16 ASN  H       5.19            #peak   325

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   HIS   1           H1       HIS   1  -2.117 -19.970   3.086
    2    HA   HIS   1           HA       HIS   1  -0.595 -21.262   1.656
    3    HB2  HIS   1           HB2      HIS   1  -0.484 -23.134   4.116
    4    HB3  HIS   1           HB3      HIS   1   0.375 -23.372   2.571
    5    HD1  HIS   1           HD1      HIS   1   0.489 -21.406   5.726
    6    HD2  HIS   1           HD2      HIS   1   2.482 -21.633   2.029
    7    HE1  HIS   1           HE1      HIS   1   2.621 -20.084   6.022
    8    H    ALA   2           H        ALA   2  -1.267 -23.329   0.494
    9    HA   ALA   2           HA       ALA   2  -3.425 -24.931   1.455
   10    HB1  ALA   2           HB1      ALA   2  -4.280 -22.661  -0.457
   11    HB2  ALA   2           HB2      ALA   2  -5.208 -24.174  -0.231
   12    HB3  ALA   2           HB3      ALA   2  -4.972 -23.053   1.131
   13    H    ASP   3           H        ASP   3  -2.505 -23.464  -1.771
   14    HA   ASP   3           HA       ASP   3  -1.225 -26.016  -2.514
   15    HB2  ASP   3           HB2      ASP   3  -3.725 -24.944  -3.962
   16    HB3  ASP   3           HB3      ASP   3  -2.581 -26.108  -4.680
   17    H    GLY   4           H        GLY   4  -2.445 -22.966  -4.240
   18    HA2  GLY   4           HA2      GLY   4   0.193 -22.727  -5.504
   19    HA3  GLY   4           HA3      GLY   4  -1.181 -21.613  -5.662
   20    H    SER   5           H        SER   5  -1.313 -21.539  -2.453
   21    HA   SER   5           HA       SER   5  -0.629 -19.950  -0.951
   22    HB2  SER   5           HB2      SER   5   1.351 -21.495  -0.848
   23    HB3  SER   5           HB3      SER   5   2.160 -20.512  -2.096
   24    HG   SER   5           HG       SER   5   1.369 -19.494   0.474
   25    H    PHE   6           H        PHE   6  -1.755 -19.016  -3.402
   26    HA   PHE   6           HA       PHE   6  -0.108 -16.670  -4.111
   27    HB2  PHE   6           HB2      PHE   6  -1.764 -16.159  -5.782
   28    HB3  PHE   6           HB3      PHE   6  -1.370 -17.888  -5.888
   29    HD1  PHE   6           HD2      PHE   6  -3.922 -15.391  -4.780
   30    HD2  PHE   6           HD1      PHE   6  -3.127 -19.577  -5.414
   31    HE1  PHE   6           HE2      PHE   6  -6.319 -15.897  -4.461
   32    HE2  PHE   6           HE1      PHE   6  -5.520 -20.079  -5.066
   33    HZ   PHE   6           HZ       PHE   6  -7.126 -18.244  -4.597
   34    H    SER   7           H        SER   7  -3.115 -17.501  -2.181
   35    HA   SER   7           HA       SER   7  -4.202 -14.999  -1.948
   36    HB2  SER   7           HB2      SER   7  -5.213 -16.979  -0.884
   37    HB3  SER   7           HB3      SER   7  -3.896 -17.066   0.318
   38    HG   SER   7           HG       SER   7  -4.699 -14.950   1.082
   39    H    ASP   8           H        ASP   8  -1.401 -16.306   0.050
   40    HA   ASP   8           HA       ASP   8  -1.247 -14.151   1.806
   41    HB2  ASP   8           HB2      ASP   8   1.090 -15.780   0.633
   42    HB3  ASP   8           HB3      ASP   8   1.244 -14.629   1.985
   43    H    GLU   9           H        GLU   9   0.662 -14.395  -1.349
   44    HA   GLU   9           HA       GLU   9   1.570 -11.725  -1.065
   45    HB2  GLU   9           HB2      GLU   9   2.185 -11.689  -3.424
   46    HB3  GLU   9           HB3      GLU   9   2.712 -13.202  -2.637
   47    HG2  GLU   9           HG2      GLU   9   0.854 -14.446  -3.733
   48    HG3  GLU   9           HG3      GLU   9   0.197 -12.930  -4.418
   49    H    MET  10           H        MET  10  -1.473 -13.066  -2.491
   50    HA   MET  10           HA       MET  10  -2.207 -10.700  -3.833
   51    HB2  MET  10           HB2      MET  10  -3.312 -13.020  -4.014
   52    HB3  MET  10           HB3      MET  10  -4.212 -12.619  -2.519
   53    HG2  MET  10           HG2      MET  10  -5.292 -10.680  -3.709
   54    HG3  MET  10           HG3      MET  10  -4.261 -10.984  -5.148
   55    HE1  MET  10           HE1      MET  10  -7.718 -11.135  -5.443
   56    HE2  MET  10           HE2      MET  10  -6.337 -10.959  -6.579
   57    HE3  MET  10           HE3      MET  10  -7.465 -12.341  -6.747
   58    H    ASN  11           H        ASN  11  -2.393 -11.584  -0.332
   59    HA   ASN  11           HA       ASN  11  -4.159  -9.313   0.245
   60    HB2  ASN  11           HB2      ASN  11  -2.487 -10.915   2.249
   61    HB3  ASN  11           HB3      ASN  11  -3.986 -10.007   2.561
   62   HD21  ASN  11          HD21      ASN  11  -5.816 -10.960   0.580
   63   HD22  ASN  11          HD22      ASN  11  -5.958 -12.665   0.734
   64    H    THR  12           H        THR  12  -0.562 -10.042   0.530
   65    HA   THR  12           HA       THR  12  -0.053  -7.662   2.006
   66    HB   THR  12           HB       THR  12   2.308  -7.812   1.151
   67    HG1  THR  12           HG1      THR  12   2.756  -9.619  -0.312
   68   HG21  THR  12          HG21      THR  12   1.641  -9.146   3.179
   69   HG22  THR  12          HG22      THR  12   2.877 -10.001   2.220
   70   HG23  THR  12          HG23      THR  12   1.175 -10.521   2.143
   71    H    ILE  13           H        ILE  13  -0.248  -8.268  -1.615
   72    HA   ILE  13           HA       ILE  13   0.775  -5.692  -2.213
   73    HB   ILE  13           HB       ILE  13  -0.266  -5.754  -4.424
   74   HG12  ILE  13          HG12      ILE  13  -1.405  -7.919  -5.208
   75   HG13  ILE  13          HG13      ILE  13  -1.681  -8.323  -3.512
   76   HG21  ILE  13          HG21      ILE  13   1.007  -7.694  -5.287
   77   HG22  ILE  13          HG22      ILE  13   1.913  -6.909  -3.977
   78   HG23  ILE  13          HG23      ILE  13   1.037  -8.431  -3.667
   79   HD11  ILE  13          HD11      ILE  13  -2.740  -5.777  -4.928
   80   HD12  ILE  13          HD12      ILE  13  -3.658  -7.298  -4.741
   81   HD13  ILE  13          HD13      ILE  13  -3.241  -6.346  -3.317
   82    H    LEU  14           H        LEU  14  -2.439  -6.562  -0.904
   83    HA   LEU  14           HA       LEU  14  -3.416  -3.891  -1.660
   84    HB2  LEU  14           HB2      LEU  14  -4.814  -6.253  -1.199
   85    HB3  LEU  14           HB3      LEU  14  -4.886  -5.516   0.404
   86    HG   LEU  14           HG       LEU  14  -5.754  -3.356  -0.865
   87   HD11  LEU  14          HD11      LEU  14  -6.224  -5.454  -3.092
   88   HD12  LEU  14          HD12      LEU  14  -5.092  -4.087  -3.234
   89   HD13  LEU  14          HD13      LEU  14  -6.834  -3.779  -3.093
   90   HD21  LEU  14          HD21      LEU  14  -7.273  -4.787   0.507
   91   HD22  LEU  14          HD22      LEU  14  -7.475  -5.917  -0.864
   92   HD23  LEU  14          HD23      LEU  14  -8.107  -4.249  -0.972
   93    H    ASP  15           H        ASP  15  -2.607  -5.672   1.457
   94    HA   ASP  15           HA       ASP  15  -3.058  -3.432   3.090
   95    HB2  ASP  15           HB2      ASP  15  -2.634  -5.762   3.948
   96    HB3  ASP  15           HB3      ASP  15  -0.912  -5.609   3.522
   97    H    ASN  16           H        ASN  16   0.031  -4.511   1.486
   98    HA   ASN  16           HA       ASN  16   1.446  -2.222   2.626
   99    HB2  ASN  16           HB2      ASN  16   2.397  -4.546   2.318
  100    HB3  ASN  16           HB3      ASN  16   2.470  -4.247   0.557
  101   HD21  ASN  16          HD21      ASN  16   4.816  -4.830   2.206
  102   HD22  ASN  16          HD22      ASN  16   5.791  -3.410   2.200
  103    H    LEU  17           H        LEU  17   0.243  -3.215  -0.717
  104    HA   LEU  17           HA       LEU  17   1.369  -0.624  -1.695
  105    HB2  LEU  17           HB2      LEU  17   1.724  -3.221  -2.644
  106    HB3  LEU  17           HB3      LEU  17   0.472  -2.638  -3.743
  107    HG   LEU  17           HG       LEU  17   3.217  -1.344  -3.191
  108   HD11  LEU  17          HD11      LEU  17   3.782  -2.076  -5.501
  109   HD12  LEU  17          HD12      LEU  17   2.152  -2.783  -5.701
  110   HD13  LEU  17          HD13      LEU  17   3.297  -3.485  -4.522
  111   HD21  LEU  17          HD21      LEU  17   2.704   0.192  -5.117
  112   HD22  LEU  17          HD22      LEU  17   1.561   0.465  -3.788
  113   HD23  LEU  17          HD23      LEU  17   1.048  -0.472  -5.216
  114    H    ALA  18           H        ALA  18  -0.824  -0.162  -0.198
  115    HA   ALA  18           HA       ALA  18  -2.443   1.085  -2.248
  116    HB1  ALA  18           HB1      ALA  18  -3.601  -1.212  -2.113
  117    HB2  ALA  18           HB2      ALA  18  -4.049  -0.817  -0.428
  118    HB3  ALA  18           HB3      ALA  18  -4.640   0.199  -1.755
  119    H    ALA  19           H        ALA  19  -2.637   0.142   1.337
  120    HA   ALA  19           HA       ALA  19  -3.806   2.534   2.173
  121    HB1  ALA  19           HB1      ALA  19  -3.300   0.667   3.766
  122    HB2  ALA  19           HB2      ALA  19  -1.546   0.977   3.603
  123    HB3  ALA  19           HB3      ALA  19  -2.605   2.203   4.361
  124    H    ARG  20           H        ARG  20  -0.260   1.859   1.460
  125    HA   ARG  20           HA       ARG  20   0.293   4.724   2.050
  126    HB2  ARG  20           HB2      ARG  20   2.317   2.538   1.439
  127    HB3  ARG  20           HB3      ARG  20   2.607   4.166   2.114
  128    HG2  ARG  20           HG2      ARG  20   1.010   3.436   4.067
  129    HG3  ARG  20           HG3      ARG  20   1.184   1.777   3.446
  130    HD2  ARG  20           HD2      ARG  20   2.934   1.903   5.133
  131    HD3  ARG  20           HD3      ARG  20   3.748   2.127   3.599
  132    HE   ARG  20           HE       ARG  20   4.300   4.307   4.160
  133   HH11  ARG  20          HH12      ARG  20   1.616   3.247   6.355
  134   HH12  ARG  20          HH11      ARG  20   1.764   4.704   7.325
  135   HH21  ARG  20          HH22      ARG  20   4.373   6.125   5.481
  136   HH22  ARG  20          HH21      ARG  20   3.277   6.287   6.853
  137    H    ASP  21           H        ASP  21  -0.935   3.274  -0.690
  138    HA   ASP  21           HA       ASP  21   0.575   5.229  -2.373
  139    HB2  ASP  21           HB2      ASP  21   1.338   2.769  -2.578
  140    HB3  ASP  21           HB3      ASP  21  -0.278   2.408  -3.230
  141    H    PHE  22           H        PHE  22  -2.212   5.268  -0.971
  142    HA   PHE  22           HA       PHE  22  -3.702   5.845  -3.502
  143    HB2  PHE  22           HB2      PHE  22  -4.569   4.322  -1.198
  144    HB3  PHE  22           HB3      PHE  22  -5.459   5.837  -1.142
  145    HD1  PHE  22           HD2      PHE  22  -6.207   6.697  -3.672
  146    HD2  PHE  22           HD1      PHE  22  -5.750   2.610  -2.398
  147    HE1  PHE  22           HE2      PHE  22  -7.703   5.957  -5.497
  148    HE2  PHE  22           HE1      PHE  22  -7.298   1.887  -4.179
  149    HZ   PHE  22           HZ       PHE  22  -8.267   3.551  -5.746
  150    H    ILE  23           H        ILE  23  -3.106   7.106  -0.050
  151    HA   ILE  23           HA       ILE  23  -3.119   9.777  -1.333
  152    HB   ILE  23           HB       ILE  23  -4.406  10.691   0.579
  153   HG12  ILE  23          HG12      ILE  23  -5.860   9.066   1.960
  154   HG13  ILE  23          HG13      ILE  23  -4.781   7.765   1.471
  155   HG21  ILE  23          HG21      ILE  23  -5.552   9.972  -1.600
  156   HG22  ILE  23          HG22      ILE  23  -5.946   8.419  -0.826
  157   HG23  ILE  23          HG23      ILE  23  -6.621   9.936  -0.186
  158   HD11  ILE  23          HD11      ILE  23  -4.249   8.694   3.748
  159   HD12  ILE  23          HD12      ILE  23  -2.873   8.977   2.676
  160   HD13  ILE  23          HD13      ILE  23  -3.980  10.315   3.054
  161    H    ASN  24           H        ASN  24  -0.826   7.984  -0.697
  162    HA   ASN  24           HA       ASN  24   0.546  10.052   0.967
  163    HB2  ASN  24           HB2      ASN  24   1.114   7.057   1.242
  164    HB3  ASN  24           HB3      ASN  24   1.685   8.381   2.274
  165   HD21  ASN  24          HD21      ASN  24  -1.223   6.428   1.305
  166   HD22  ASN  24          HD22      ASN  24  -2.076   6.690   2.771
  167    H    TRP  25           H        TRP  25   0.506   9.985  -1.910
  168    HA   TRP  25           HA       TRP  25   3.302   9.815  -2.301
  169    HB2  TRP  25           HB2      TRP  25   3.775   7.807  -3.253
  170    HB3  TRP  25           HB3      TRP  25   2.342   7.252  -2.381
  171    HD1  TRP  25           HD1      TRP  25   3.892   6.803  -5.533
  172    HE1  TRP  25           HE1      TRP  25   2.299   6.043  -7.308
  173    HE3  TRP  25           HE3      TRP  25  -0.648   7.918  -3.215
  174    HZ2  TRP  25           HZ2      TRP  25  -0.390   5.893  -7.785
  175    HZ3  TRP  25           HZ3      TRP  25  -2.650   7.911  -4.729
  176    HH2  TRP  25           HH2      TRP  25  -2.571   6.748  -6.889
  177    H    LEU  26           H        LEU  26   0.130  10.000  -4.136
  178    HA   LEU  26           HA       LEU  26   1.409  12.255  -5.618
  179    HB2  LEU  26           HB2      LEU  26  -0.543  10.117  -6.665
  180    HB3  LEU  26           HB3      LEU  26  -0.016  11.543  -7.590
  181    HG   LEU  26           HG       LEU  26   1.872   9.298  -6.655
  182   HD11  LEU  26          HD11      LEU  26   1.841   8.521  -9.021
  183   HD12  LEU  26          HD12      LEU  26   0.704   9.827  -9.465
  184   HD13  LEU  26          HD13      LEU  26   0.179   8.515  -8.384
  185   HD21  LEU  26          HD21      LEU  26   2.336  11.655  -8.587
  186   HD22  LEU  26          HD22      LEU  26   3.480  10.309  -8.330
  187   HD23  LEU  26          HD23      LEU  26   3.131  11.432  -7.004
  188    H    ILE  27           H        ILE  27   0.317  12.713  -3.220
  189    HA   ILE  27           HA       ILE  27  -1.853  14.369  -3.867
  190    HB   ILE  27           HB       ILE  27  -2.694  11.650  -3.224
  191   HG12  ILE  27          HG12      ILE  27  -3.730  13.152  -4.974
  192   HG13  ILE  27          HG13      ILE  27  -4.897  12.333  -3.934
  193   HG21  ILE  27          HG21      ILE  27  -4.460  12.160  -1.471
  194   HG22  ILE  27          HG22      ILE  27  -2.804  12.193  -0.830
  195   HG23  ILE  27          HG23      ILE  27  -3.664  13.711  -1.151
  196   HD11  ILE  27          HD11      ILE  27  -5.360  14.415  -2.678
  197   HD12  ILE  27          HD12      ILE  27  -4.040  15.277  -3.510
  198   HD13  ILE  27          HD13      ILE  27  -5.483  14.756  -4.412
  199    H    GLN  28           H        GLN  28  -0.372  12.502  -1.016
  200    HA   GLN  28           HA       GLN  28  -1.025  14.378   0.889
  201    HB2  GLN  28           HB2      GLN  28   0.124  12.386   1.548
  202    HB3  GLN  28           HB3      GLN  28   1.577  12.768   0.579
  203    HG2  GLN  28           HG2      GLN  28   2.159  14.647   2.050
  204    HG3  GLN  28           HG3      GLN  28   0.608  14.518   2.920
  205   HE21  GLN  28          HE21      GLN  28   0.221  12.526   4.299
  206   HE22  GLN  28          HE22      GLN  28   1.595  11.668   4.894
  207    H    THR  29           H        THR  29   1.530  14.626  -1.712
  208    HA   THR  29           HA       THR  29   2.825  16.905  -0.912
  209    HB   THR  29           HB       THR  29   2.036  17.297  -3.734
  210    HG1  THR  29           HG1      THR  29   2.387  15.078  -4.471
  211   HG21  THR  29          HG21      THR  29   4.379  16.636  -4.215
  212   HG22  THR  29          HG22      THR  29   4.548  15.958  -2.568
  213   HG23  THR  29          HG23      THR  29   4.330  17.724  -2.797
  214    H    LYS  30           H        LYS  30  -0.511  16.722  -2.332
  215    HA   LYS  30           HA       LYS  30  -0.774  19.650  -2.098
  216    HB2  LYS  30           HB2      LYS  30  -1.663  17.939  -3.971
  217    HB3  LYS  30           HB3      LYS  30  -3.071  17.820  -2.908
  218    HG2  LYS  30           HG2      LYS  30  -1.907  20.336  -4.303
  219    HG3  LYS  30           HG3      LYS  30  -3.305  19.382  -4.812
  220    HD2  LYS  30           HD2      LYS  30  -4.396  21.193  -3.864
  221    HD3  LYS  30           HD3      LYS  30  -4.420  20.028  -2.539
  222    HE2  LYS  30           HE2      LYS  30  -3.902  22.217  -1.638
  223    HE3  LYS  30           HE3      LYS  30  -2.369  21.338  -1.555
  224    HZ1  LYS  30           HZ1      LYS  30  -2.116  23.651  -2.394
  225    HZ2  LYS  30           HZ2      LYS  30  -3.147  23.308  -3.742
  226    HZ3  LYS  30           HZ3      LYS  30  -1.594  22.542  -3.596
  227    H    ILE  31           H        ILE  31  -0.437  18.022   0.460
  228    HA   ILE  31           HA       ILE  31  -2.865  19.050   1.812
  229    HB   ILE  31           HB       ILE  31  -1.861  16.184   2.234
  230   HG12  ILE  31          HG12      ILE  31  -4.500  17.225   1.037
  231   HG13  ILE  31          HG13      ILE  31  -3.199  16.379   0.159
  232   HG21  ILE  31          HG21      ILE  31  -4.174  17.668   3.622
  233   HG22  ILE  31          HG22      ILE  31  -3.599  16.012   3.979
  234   HG23  ILE  31          HG23      ILE  31  -2.572  17.394   4.359
  235   HD11  ILE  31          HD11      ILE  31  -3.592  14.319   1.584
  236   HD12  ILE  31          HD12      ILE  31  -5.000  15.136   2.334
  237   HD13  ILE  31          HD13      ILE  31  -5.007  14.796   0.599
  238    H    THR  32           H        THR  32   0.258  17.185   2.524
  239    HA   THR  32           HA       THR  32   0.735  18.278   4.973
  240    HB   THR  32           HB       THR  32   2.218  16.593   3.855
  241    HG1  THR  32           HG1      THR  32   3.617  18.828   4.962
  242   HG21  THR  32          HG21      THR  32   2.526  17.773   1.599
  243   HG22  THR  32          HG22      THR  32   4.058  17.279   2.367
  244   HG23  THR  32          HG23      THR  32   3.546  18.984   2.423
  245    H    ASP  33           H        ASP  33   1.135  19.990   1.767
  246    HA   ASP  33           HA       ASP  33   1.417  22.518   3.348
  247    HB2  ASP  33           HB2      ASP  33   3.226  23.232   1.760
  248    HB3  ASP  33           HB3      ASP  33   3.710  21.840   2.767
  Start of MODEL    2
    1    H1   HIS   1           H1       HIS   1  -1.484 -26.948   2.918
    2    HA   HIS   1           HA       HIS   1   0.152 -28.129   1.453
    3    HB2  HIS   1           HB2      HIS   1  -2.349 -28.149  -0.349
    4    HB3  HIS   1           HB3      HIS   1  -0.743 -28.687  -0.902
    5    HD1  HIS   1           HD1      HIS   1  -3.643 -30.257  -0.031
    6    HD2  HIS   1           HD2      HIS   1   0.306 -30.590   1.379
    7    HE1  HIS   1           HE1      HIS   1  -3.472 -32.555   1.007
    8    H    ALA   2           H        ALA   2   1.130 -27.093  -0.654
    9    HA   ALA   2           HA       ALA   2   0.316 -24.197  -0.824
   10    HB1  ALA   2           HB1      ALA   2   2.159 -24.468   0.855
   11    HB2  ALA   2           HB2      ALA   2   3.134 -25.351  -0.357
   12    HB3  ALA   2           HB3      ALA   2   2.739 -23.622  -0.612
   13    H    ASP   3           H        ASP   3  -0.696 -25.653  -2.788
   14    HA   ASP   3           HA       ASP   3   1.161 -26.268  -4.895
   15    HB2  ASP   3           HB2      ASP   3  -1.828 -25.539  -5.046
   16    HB3  ASP   3           HB3      ASP   3  -0.825 -25.977  -6.451
   17    H    GLY   4           H        GLY   4  -1.020 -23.336  -4.433
   18    HA2  GLY   4           HA2      GLY   4   0.770 -21.856  -6.328
   19    HA3  GLY   4           HA3      GLY   4  -0.887 -21.438  -5.883
   20    H    SER   5           H        SER   5  -0.929 -21.385  -3.080
   21    HA   SER   5           HA       SER   5  -0.533 -19.827  -1.435
   22    HB2  SER   5           HB2      SER   5   1.645 -21.068  -1.292
   23    HB3  SER   5           HB3      SER   5   2.397 -19.854  -2.363
   24    HG   SER   5           HG       SER   5   1.777 -18.263  -0.690
   25    H    PHE   6           H        PHE   6  -1.627 -18.920  -3.941
   26    HA   PHE   6           HA       PHE   6  -0.325 -16.399  -4.572
   27    HB2  PHE   6           HB2      PHE   6  -2.329 -15.838  -5.840
   28    HB3  PHE   6           HB3      PHE   6  -1.875 -17.516  -6.200
   29    HD1  PHE   6           HD2      PHE   6  -4.265 -15.331  -4.323
   30    HD2  PHE   6           HD1      PHE   6  -3.439 -19.349  -5.617
   31    HE1  PHE   6           HE2      PHE   6  -6.512 -16.026  -3.583
   32    HE2  PHE   6           HE1      PHE   6  -5.677 -20.049  -4.846
   33    HZ   PHE   6           HZ       PHE   6  -7.223 -18.394  -3.828
   34    H    SER   7           H        SER   7  -2.930 -17.539  -2.282
   35    HA   SER   7           HA       SER   7  -4.079 -15.183  -1.573
   36    HB2  SER   7           HB2      SER   7  -4.718 -17.326  -0.491
   37    HB3  SER   7           HB3      SER   7  -3.147 -17.386   0.356
   38    HG   SER   7           HG       SER   7  -5.128 -15.338   0.769
   39    H    ASP   8           H        ASP   8  -0.844 -16.392  -0.323
   40    HA   ASP   8           HA       ASP   8  -0.492 -14.313   1.537
   41    HB2  ASP   8           HB2      ASP   8   1.040 -16.285   1.420
   42    HB3  ASP   8           HB3      ASP   8   1.689 -15.711  -0.138
   43    H    GLU   9           H        GLU   9   0.559 -14.441  -1.981
   44    HA   GLU   9           HA       GLU   9   1.530 -11.692  -1.798
   45    HB2  GLU   9           HB2      GLU   9   1.113 -13.506  -4.234
   46    HB3  GLU   9           HB3      GLU   9   1.836 -11.875  -4.280
   47    HG2  GLU   9           HG2      GLU   9   3.660 -12.600  -2.716
   48    HG3  GLU   9           HG3      GLU   9   2.955 -14.233  -2.626
   49    H    MET  10           H        MET  10  -1.696 -13.065  -2.259
   50    HA   MET  10           HA       MET  10  -2.617 -10.722  -3.764
   51    HB2  MET  10           HB2      MET  10  -3.563 -13.026  -3.966
   52    HB3  MET  10           HB3      MET  10  -4.237 -12.883  -2.316
   53    HG2  MET  10           HG2      MET  10  -5.673 -10.986  -3.019
   54    HG3  MET  10           HG3      MET  10  -4.943 -10.967  -4.653
   55    HE1  MET  10           HE1      MET  10  -6.353 -14.143  -6.381
   56    HE2  MET  10           HE2      MET  10  -6.039 -12.402  -6.671
   57    HE3  MET  10           HE3      MET  10  -4.739 -13.456  -6.035
   58    H    ASN  11           H        ASN  11  -2.346 -11.730  -0.280
   59    HA   ASN  11           HA       ASN  11  -4.101  -9.480   0.511
   60    HB2  ASN  11           HB2      ASN  11  -2.510 -11.326   2.339
   61    HB3  ASN  11           HB3      ASN  11  -3.968 -10.390   2.751
   62   HD21  ASN  11          HD21      ASN  11  -5.766 -11.128   0.544
   63   HD22  ASN  11          HD22      ASN  11  -6.000 -12.826   0.636
   64    H    THR  12           H        THR  12  -0.528 -10.288   0.542
   65    HA   THR  12           HA       THR  12   0.059  -8.024   2.237
   66    HB   THR  12           HB       THR  12   2.395  -8.214   1.259
   67    HG1  THR  12           HG1      THR  12   2.674 -10.063  -0.204
   68   HG21  THR  12          HG21      THR  12   1.133 -10.837   2.318
   69   HG22  THR  12          HG22      THR  12   1.773  -9.498   3.313
   70   HG23  THR  12          HG23      THR  12   2.878 -10.462   2.296
   71    H    ILE  13           H        ILE  13  -0.253  -8.431  -1.392
   72    HA   ILE  13           HA       ILE  13   0.709  -5.821  -1.928
   73    HB   ILE  13           HB       ILE  13  -0.542  -5.806  -4.069
   74   HG12  ILE  13          HG12      ILE  13  -1.795  -8.436  -3.099
   75   HG13  ILE  13          HG13      ILE  13  -2.633  -6.903  -3.414
   76   HG21  ILE  13          HG21      ILE  13   1.692  -6.809  -3.931
   77   HG22  ILE  13          HG22      ILE  13   1.023  -8.387  -3.474
   78   HG23  ILE  13          HG23      ILE  13   0.719  -7.715  -5.099
   79   HD11  ILE  13          HD11      ILE  13  -1.958  -7.098  -5.861
   80   HD12  ILE  13          HD12      ILE  13  -1.361  -8.752  -5.510
   81   HD13  ILE  13          HD13      ILE  13  -3.076  -8.362  -5.273
   82    H    LEU  14           H        LEU  14  -2.684  -6.832  -0.928
   83    HA   LEU  14           HA       LEU  14  -3.571  -4.115  -1.493
   84    HB2  LEU  14           HB2      LEU  14  -5.740  -4.694  -0.818
   85    HB3  LEU  14           HB3      LEU  14  -5.051  -6.102  -1.648
   86    HG   LEU  14           HG       LEU  14  -4.500  -6.909   0.858
   87   HD11  LEU  14          HD11      LEU  14  -6.155  -6.171   2.554
   88   HD12  LEU  14          HD12      LEU  14  -6.890  -5.037   1.389
   89   HD13  LEU  14          HD13      LEU  14  -5.249  -4.747   2.009
   90   HD21  LEU  14          HD21      LEU  14  -6.704  -8.066   0.978
   91   HD22  LEU  14          HD22      LEU  14  -6.047  -8.109  -0.676
   92   HD23  LEU  14          HD23      LEU  14  -7.357  -6.963  -0.269
   93    H    ASP  15           H        ASP  15  -2.364  -5.893   1.458
   94    HA   ASP  15           HA       ASP  15  -3.186  -3.727   3.206
   95    HB2  ASP  15           HB2      ASP  15  -2.788  -6.060   4.001
   96    HB3  ASP  15           HB3      ASP  15  -1.048  -5.899   3.646
   97    H    ASN  16           H        ASN  16  -0.039  -4.727   1.676
   98    HA   ASN  16           HA       ASN  16   1.323  -2.459   2.901
   99    HB2  ASN  16           HB2      ASN  16   2.282  -4.783   2.526
  100    HB3  ASN  16           HB3      ASN  16   2.400  -4.407   0.786
  101   HD21  ASN  16          HD21      ASN  16   4.674  -5.072   2.553
  102   HD22  ASN  16          HD22      ASN  16   5.668  -3.665   2.598
  103    H    LEU  17           H        LEU  17   0.094  -3.310  -0.447
  104    HA   LEU  17           HA       LEU  17   1.281  -0.730  -1.389
  105    HB2  LEU  17           HB2      LEU  17   1.686  -3.302  -2.319
  106    HB3  LEU  17           HB3      LEU  17   0.398  -2.789  -3.411
  107    HG   LEU  17           HG       LEU  17   3.106  -1.392  -2.905
  108   HD11  LEU  17          HD11      LEU  17   2.097  -2.929  -5.380
  109   HD12  LEU  17          HD12      LEU  17   3.267  -3.553  -4.183
  110   HD13  LEU  17          HD13      LEU  17   3.696  -2.152  -5.198
  111   HD21  LEU  17          HD21      LEU  17   2.550   0.090  -4.844
  112   HD22  LEU  17          HD22      LEU  17   1.377   0.328  -3.530
  113   HD23  LEU  17          HD23      LEU  17   0.922  -0.641  -4.957
  114    H    ALA  18           H        ALA  18  -0.862  -0.157   0.034
  115    HA   ALA  18           HA       ALA  18  -2.562   0.983  -1.994
  116    HB1  ALA  18           HB1      ALA  18  -4.106  -0.920  -0.152
  117    HB2  ALA  18           HB2      ALA  18  -4.718   0.028  -1.516
  118    HB3  ALA  18           HB3      ALA  18  -3.637  -1.362  -1.818
  119    H    ALA  19           H        ALA  19  -2.639   0.034   1.581
  120    HA   ALA  19           HA       ALA  19  -3.982   2.308   2.474
  121    HB1  ALA  19           HB1      ALA  19  -3.294   0.468   4.031
  122    HB2  ALA  19           HB2      ALA  19  -1.574   0.915   3.832
  123    HB3  ALA  19           HB3      ALA  19  -2.707   2.050   4.627
  124    H    ARG  20           H        ARG  20  -0.395   1.900   1.750
  125    HA   ARG  20           HA       ARG  20  -0.137   4.863   2.032
  126    HB2  ARG  20           HB2      ARG  20   2.054   2.771   1.932
  127    HB3  ARG  20           HB3      ARG  20   2.257   4.530   2.139
  128    HG2  ARG  20           HG2      ARG  20   0.783   4.379   4.259
  129    HG3  ARG  20           HG3      ARG  20   0.801   2.611   4.059
  130    HD2  ARG  20           HD2      ARG  20   2.510   3.177   5.671
  131    HD3  ARG  20           HD3      ARG  20   3.330   2.680   4.155
  132    HE   ARG  20           HE       ARG  20   2.962   5.558   4.219
  133   HH11  ARG  20          HH12      ARG  20   4.904   2.985   5.827
  134   HH12  ARG  20          HH11      ARG  20   6.225   4.097   6.159
  135   HH21  ARG  20          HH22      ARG  20   4.703   6.901   4.694
  136   HH22  ARG  20          HH21      ARG  20   6.117   6.268   5.542
  137    H    ASP  21           H        ASP  21  -1.553   3.687  -0.358
  138    HA   ASP  21           HA       ASP  21   0.190   5.129  -2.250
  139    HB2  ASP  21           HB2      ASP  21   0.604   2.501  -2.243
  140    HB3  ASP  21           HB3      ASP  21  -0.930   2.425  -3.134
  141    H    PHE  22           H        PHE  22  -2.444   5.745  -0.913
  142    HA   PHE  22           HA       PHE  22  -4.024   6.056  -3.430
  143    HB2  PHE  22           HB2      PHE  22  -4.879   5.049  -1.062
  144    HB3  PHE  22           HB3      PHE  22  -5.136   6.760  -0.694
  145    HD1  PHE  22           HD1      PHE  22  -5.785   4.007  -3.164
  146    HD2  PHE  22           HD2      PHE  22  -7.095   7.871  -1.796
  147    HE1  PHE  22           HE1      PHE  22  -7.858   3.770  -4.487
  148    HE2  PHE  22           HE2      PHE  22  -9.178   7.619  -3.111
  149    HZ   PHE  22           HZ       PHE  22  -9.570   5.566  -4.450
  150    H    ILE  23           H        ILE  23  -2.162   7.931  -0.983
  151    HA   ILE  23           HA       ILE  23  -2.382  10.221  -2.736
  152    HB   ILE  23           HB       ILE  23  -2.724  11.468  -0.214
  153   HG12  ILE  23          HG12      ILE  23  -5.001   9.413  -0.493
  154   HG13  ILE  23          HG13      ILE  23  -3.629   9.152   0.610
  155   HG21  ILE  23          HG21      ILE  23  -4.821  12.382  -1.181
  156   HG22  ILE  23          HG22      ILE  23  -3.539  12.316  -2.404
  157   HG23  ILE  23          HG23      ILE  23  -4.840  11.089  -2.414
  158   HD11  ILE  23          HD11      ILE  23  -4.152  11.268   1.829
  159   HD12  ILE  23          HD12      ILE  23  -5.625  11.478   0.830
  160   HD13  ILE  23          HD13      ILE  23  -5.466  10.060   1.894
  161    H    ASN  24           H        ASN  24  -1.299   9.540   0.671
  162    HA   ASN  24           HA       ASN  24   0.935  10.684   0.997
  163    HB2  ASN  24           HB2      ASN  24   1.753   7.809   1.254
  164    HB3  ASN  24           HB3      ASN  24   1.521   9.035   2.507
  165   HD21  ASN  24          HD21      ASN  24  -0.354   6.910   0.216
  166   HD22  ASN  24          HD22      ASN  24  -1.645   6.599   1.325
  167    H    TRP  25           H        TRP  25   0.901   8.150  -1.641
  168    HA   TRP  25           HA       TRP  25   3.760   8.715  -2.129
  169    HB2  TRP  25           HB2      TRP  25   3.838   6.765  -3.249
  170    HB3  TRP  25           HB3      TRP  25   2.247   6.422  -2.580
  171    HD1  TRP  25           HD1      TRP  25   4.111   6.811  -5.748
  172    HE1  TRP  25           HE1      TRP  25   2.608   6.742  -7.755
  173    HE3  TRP  25           HE3      TRP  25  -0.529   7.283  -3.414
  174    HZ2  TRP  25           HZ2      TRP  25  -0.034   6.894  -8.393
  175    HZ3  TRP  25           HZ3      TRP  25  -2.524   7.397  -4.912
  176    HH2  TRP  25           HH2      TRP  25  -2.293   7.181  -7.352
  177    H    LEU  26           H        LEU  26   0.575   9.514  -3.599
  178    HA   LEU  26           HA       LEU  26   1.651  10.662  -5.984
  179    HB2  LEU  26           HB2      LEU  26  -0.658   9.790  -5.703
  180    HB3  LEU  26           HB3      LEU  26  -1.018  11.079  -4.521
  181    HG   LEU  26           HG       LEU  26  -0.917  12.804  -6.263
  182   HD11  LEU  26          HD11      LEU  26   0.705  11.871  -7.877
  183   HD12  LEU  26          HD12      LEU  26  -0.857  12.065  -8.705
  184   HD13  LEU  26          HD13      LEU  26  -0.321  10.440  -8.178
  185   HD21  LEU  26          HD21      LEU  26  -2.696  10.401  -7.052
  186   HD22  LEU  26          HD22      LEU  26  -3.000  12.115  -7.457
  187   HD23  LEU  26          HD23      LEU  26  -3.076  11.577  -5.760
  188    H    ILE  27           H        ILE  27   0.966  11.963  -2.684
  189    HA   ILE  27           HA       ILE  27   0.622  14.574  -3.051
  190    HB   ILE  27           HB       ILE  27   1.965  15.080  -0.952
  191   HG12  ILE  27          HG12      ILE  27   2.474  12.617   0.238
  192   HG13  ILE  27          HG13      ILE  27   2.972  12.269  -1.439
  193   HG21  ILE  27          HG21      ILE  27  -0.005  12.746  -0.681
  194   HG22  ILE  27          HG22      ILE  27   0.440  13.934   0.565
  195   HG23  ILE  27          HG23      ILE  27  -0.440  14.464  -0.885
  196   HD11  ILE  27          HD11      ILE  27   4.592  14.121  -1.336
  197   HD12  ILE  27          HD12      ILE  27   4.060  14.563   0.312
  198   HD13  ILE  27          HD13      ILE  27   4.862  12.993   0.007
  199    H    GLN  28           H        GLN  28   3.963  13.210  -3.668
  200    HA   GLN  28           HA       GLN  28   4.540  15.914  -4.888
  201    HB2  GLN  28           HB2      GLN  28   6.322  14.282  -3.019
  202    HB3  GLN  28           HB3      GLN  28   6.980  15.514  -4.119
  203    HG2  GLN  28           HG2      GLN  28   5.801  17.331  -3.126
  204    HG3  GLN  28           HG3      GLN  28   4.789  16.292  -2.116
  205   HE21  GLN  28          HE21      GLN  28   7.108  18.453  -1.484
  206   HE22  GLN  28          HE22      GLN  28   8.002  17.599  -0.283
  207    H    THR  29           H        THR  29   3.398  14.267  -6.460
  208    HA   THR  29           HA       THR  29   5.695  13.243  -8.114
  209    HB   THR  29           HB       THR  29   3.048  11.791  -7.596
  210    HG1  THR  29           HG1      THR  29   4.653  11.457  -5.909
  211   HG21  THR  29          HG21      THR  29   3.786  11.513  -9.976
  212   HG22  THR  29          HG22      THR  29   3.997  10.003  -9.045
  213   HG23  THR  29          HG23      THR  29   5.414  11.029  -9.409
  214    H    LYS  30           H        LYS  30   2.059  13.844  -8.303
  215    HA   LYS  30           HA       LYS  30   2.487  14.902 -11.042
  216    HB2  LYS  30           HB2      LYS  30   0.649  13.242 -10.295
  217    HB3  LYS  30           HB3      LYS  30  -0.093  14.605  -9.425
  218    HG2  LYS  30           HG2      LYS  30  -0.036  15.780 -11.862
  219    HG3  LYS  30           HG3      LYS  30   0.199  14.115 -12.444
  220    HD2  LYS  30           HD2      LYS  30  -1.919  13.466 -11.105
  221    HD3  LYS  30           HD3      LYS  30  -2.115  15.199 -10.719
  222    HE2  LYS  30           HE2      LYS  30  -2.191  15.678 -13.244
  223    HE3  LYS  30           HE3      LYS  30  -2.198  13.913 -13.512
  224    HZ1  LYS  30           HZ1      LYS  30  -4.488  14.794 -13.526
  225    HZ2  LYS  30           HZ2      LYS  30  -4.276  15.522 -11.967
  226    HZ3  LYS  30           HZ3      LYS  30  -4.289  13.782 -12.126
  227    H    ILE  31           H        ILE  31   2.666  16.233  -7.804
  228    HA   ILE  31           HA       ILE  31   1.248  18.728  -8.600
  229    HB   ILE  31           HB       ILE  31   2.378  17.899  -5.872
  230   HG12  ILE  31          HG12      ILE  31  -0.014  17.895  -5.153
  231   HG13  ILE  31          HG13      ILE  31  -0.541  18.075  -6.846
  232   HG21  ILE  31          HG21      ILE  31   2.479  20.381  -6.267
  233   HG22  ILE  31          HG22      ILE  31   0.754  20.377  -6.730
  234   HG23  ILE  31          HG23      ILE  31   1.241  19.973  -5.061
  235   HD11  ILE  31          HD11      ILE  31   1.141  15.695  -5.813
  236   HD12  ILE  31          HD12      ILE  31  -0.639  15.691  -5.856
  237   HD13  ILE  31          HD13      ILE  31   0.270  15.803  -7.370
  238    H    THR  32           H        THR  32   4.434  17.681  -7.055
  239    HA   THR  32           HA       THR  32   5.665  20.179  -7.506
  240    HB   THR  32           HB       THR  32   7.001  17.410  -7.402
  241    HG1  THR  32           HG1      THR  32   6.150  19.059  -5.218
  242   HG21  THR  32          HG21      THR  32   8.043  20.212  -6.593
  243   HG22  THR  32          HG22      THR  32   8.659  19.210  -7.942
  244   HG23  THR  32          HG23      THR  32   8.874  18.667  -6.255
  245    H    ASP  33           H        ASP  33   5.019  17.506  -9.823
  246    HA   ASP  33           HA       ASP  33   5.463  17.355 -12.054
  247    HB2  ASP  33           HB2      ASP  33   5.533  19.281 -13.422
  248    HB3  ASP  33           HB3      ASP  33   4.520  19.739 -12.033
  Start of MODEL    3
    1    H1   HIS   1           H1       HIS   1  -4.876 -27.822  -5.394
    2    HA   HIS   1           HA       HIS   1  -2.451 -27.533  -5.430
    3    HB2  HIS   1           HB2      HIS   1  -2.163 -26.041  -7.433
    4    HB3  HIS   1           HB3      HIS   1  -3.531 -27.164  -7.655
    5    HD1  HIS   1           HD1      HIS   1  -5.947 -26.096  -7.033
    6    HD2  HIS   1           HD2      HIS   1  -2.761 -23.440  -7.727
    7    HE1  HIS   1           HE1      HIS   1  -7.019 -23.854  -7.489
    8    H    ALA   2           H        ALA   2  -0.593 -25.980  -5.170
    9    HA   ALA   2           HA       ALA   2  -1.211 -23.340  -3.994
   10    HB1  ALA   2           HB1      ALA   2  -0.204 -23.940  -1.768
   11    HB2  ALA   2           HB2      ALA   2  -1.690 -24.883  -2.075
   12    HB3  ALA   2           HB3      ALA   2  -0.091 -25.652  -2.287
   13    H    ASP   3           H        ASP   3   0.121 -23.224  -6.163
   14    HA   ASP   3           HA       ASP   3   2.799 -24.103  -6.218
   15    HB2  ASP   3           HB2      ASP   3   1.676 -21.498  -7.429
   16    HB3  ASP   3           HB3      ASP   3   3.244 -22.243  -7.840
   17    H    GLY   4           H        GLY   4   1.446 -20.927  -4.943
   18    HA2  GLY   4           HA2      GLY   4   3.588 -20.929  -2.918
   19    HA3  GLY   4           HA3      GLY   4   3.765 -19.688  -4.195
   20    H    SER   5           H        SER   5   0.861 -21.069  -2.414
   21    HA   SER   5           HA       SER   5  -0.868 -19.912  -1.358
   22    HB2  SER   5           HB2      SER   5   1.574 -18.456  -0.209
   23    HB3  SER   5           HB3      SER   5  -0.062 -18.559   0.520
   24    HG   SER   5           HG       SER   5   1.399 -20.292   1.326
   25    H    PHE   6           H        PHE   6  -1.421 -19.050  -3.632
   26    HA   PHE   6           HA       PHE   6  -0.637 -16.525  -4.503
   27    HB2  PHE   6           HB2      PHE   6  -2.448 -18.276  -5.537
   28    HB3  PHE   6           HB3      PHE   6  -3.610 -17.174  -4.786
   29    HD1  PHE   6           HD2      PHE   6  -3.070 -14.559  -5.292
   30    HD2  PHE   6           HD1      PHE   6  -1.762 -17.829  -7.756
   31    HE1  PHE   6           HE2      PHE   6  -2.766 -13.001  -7.189
   32    HE2  PHE   6           HE1      PHE   6  -1.541 -16.293  -9.670
   33    HZ   PHE   6           HZ       PHE   6  -2.021 -13.871  -9.397
   34    H    SER   7           H        SER   7  -3.303 -17.406  -2.170
   35    HA   SER   7           HA       SER   7  -4.352 -14.931  -1.638
   36    HB2  SER   7           HB2      SER   7  -5.183 -16.971  -0.495
   37    HB3  SER   7           HB3      SER   7  -3.662 -17.101   0.430
   38    HG   SER   7           HG       SER   7  -5.498 -14.907   0.675
   39    H    ASP   8           H        ASP   8  -1.276 -16.276  -0.141
   40    HA   ASP   8           HA       ASP   8  -0.948 -14.184   1.696
   41    HB2  ASP   8           HB2      ASP   8   0.470 -16.253   1.680
   42    HB3  ASP   8           HB3      ASP   8   1.326 -15.663   0.233
   43    H    GLU   9           H        GLU   9   0.335 -14.408  -1.729
   44    HA   GLU   9           HA       GLU   9   1.353 -11.699  -1.591
   45    HB2  GLU   9           HB2      GLU   9   1.110 -13.755  -3.807
   46    HB3  GLU   9           HB3      GLU   9   1.066 -12.065  -4.323
   47    HG2  GLU   9           HG2      GLU   9   3.280 -13.224  -2.527
   48    HG3  GLU   9           HG3      GLU   9   3.407 -13.010  -4.294
   49    H    MET  10           H        MET  10  -1.883 -13.043  -2.353
   50    HA   MET  10           HA       MET  10  -2.738 -10.702  -3.768
   51    HB2  MET  10           HB2      MET  10  -3.835 -13.048  -3.678
   52    HB3  MET  10           HB3      MET  10  -4.584 -12.552  -2.141
   53    HG2  MET  10           HG2      MET  10  -4.921 -11.010  -4.818
   54    HG3  MET  10           HG3      MET  10  -5.992 -12.341  -4.296
   55    HE1  MET  10           HE1      MET  10  -7.255  -9.635  -5.053
   56    HE2  MET  10           HE2      MET  10  -8.170 -11.038  -4.407
   57    HE3  MET  10           HE3      MET  10  -8.409  -9.410  -3.697
   58    H    ASN  11           H        ASN  11  -2.509 -11.483  -0.239
   59    HA   ASN  11           HA       ASN  11  -4.182  -9.117   0.401
   60    HB2  ASN  11           HB2      ASN  11  -2.642 -10.888   2.353
   61    HB3  ASN  11           HB3      ASN  11  -4.079  -9.883   2.681
   62   HD21  ASN  11          HD21      ASN  11  -5.932 -10.664   0.616
   63   HD22  ASN  11          HD22      ASN  11  -6.196 -12.359   0.742
   64    H    THR  12           H        THR  12  -0.643 -10.117   0.625
   65    HA   THR  12           HA       THR  12   0.043  -7.781   2.112
   66    HB   THR  12           HB       THR  12   2.403  -8.158   1.214
   67    HG1  THR  12           HG1      THR  12   1.836  -9.230  -0.821
   68   HG21  THR  12          HG21      THR  12   2.731 -10.342   2.383
   69   HG22  THR  12          HG22      THR  12   0.967 -10.612   2.417
   70   HG23  THR  12          HG23      THR  12   1.681  -9.247   3.327
   71    H    ILE  13           H        ILE  13  -0.340  -8.297  -1.486
   72    HA   ILE  13           HA       ILE  13   0.827  -5.766  -2.105
   73    HB   ILE  13           HB       ILE  13  -0.369  -5.749  -4.255
   74   HG12  ILE  13          HG12      ILE  13  -1.627  -8.104  -4.773
   75   HG13  ILE  13          HG13      ILE  13  -1.993  -8.021  -3.046
   76   HG21  ILE  13          HG21      ILE  13   0.973  -8.420  -3.545
   77   HG22  ILE  13          HG22      ILE  13   0.729  -7.787  -5.196
   78   HG23  ILE  13          HG23      ILE  13   1.773  -6.911  -4.052
   79   HD11  ILE  13          HD11      ILE  13  -2.720  -5.960  -5.216
   80   HD12  ILE  13          HD12      ILE  13  -3.836  -7.067  -4.363
   81   HD13  ILE  13          HD13      ILE  13  -3.083  -5.711  -3.490
   82    H    LEU  14           H        LEU  14  -2.524  -6.602  -0.950
   83    HA   LEU  14           HA       LEU  14  -3.419  -3.894  -1.544
   84    HB2  LEU  14           HB2      LEU  14  -4.961  -5.877  -1.363
   85    HB3  LEU  14           HB3      LEU  14  -4.661  -5.933   0.376
   86    HG   LEU  14           HG       LEU  14  -5.367  -3.160  -0.226
   87   HD11  LEU  14          HD11      LEU  14  -7.360  -5.112  -1.525
   88   HD12  LEU  14          HD12      LEU  14  -6.305  -3.964  -2.406
   89   HD13  LEU  14          HD13      LEU  14  -7.583  -3.352  -1.317
   90   HD21  LEU  14          HD21      LEU  14  -7.074  -5.356   1.084
   91   HD22  LEU  14          HD22      LEU  14  -7.339  -3.592   1.212
   92   HD23  LEU  14          HD23      LEU  14  -5.867  -4.323   1.912
   93    H    ASP  15           H        ASP  15  -2.465  -5.703   1.524
   94    HA   ASP  15           HA       ASP  15  -2.917  -3.464   3.194
   95    HB2  ASP  15           HB2      ASP  15  -2.583  -5.811   4.038
   96    HB3  ASP  15           HB3      ASP  15  -0.858  -5.728   3.603
   97    H    ASN  16           H        ASN  16   0.126  -4.599   1.548
   98    HA   ASN  16           HA       ASN  16   1.625  -2.385   2.763
   99    HB2  ASN  16           HB2      ASN  16   2.461  -4.763   2.437
  100    HB3  ASN  16           HB3      ASN  16   2.603  -4.423   0.689
  101   HD21  ASN  16          HD21      ASN  16   4.859  -5.182   2.372
  102   HD22  ASN  16          HD22      ASN  16   5.914  -3.819   2.434
  103    H    LEU  17           H        LEU  17   0.305  -3.238  -0.550
  104    HA   LEU  17           HA       LEU  17   1.656  -0.765  -1.574
  105    HB2  LEU  17           HB2      LEU  17   1.865  -3.407  -2.416
  106    HB3  LEU  17           HB3      LEU  17   0.658  -2.798  -3.557
  107    HG   LEU  17           HG       LEU  17   3.443  -1.583  -3.005
  108   HD11  LEU  17          HD11      LEU  17   2.467  -3.259  -5.403
  109   HD12  LEU  17          HD12      LEU  17   3.576  -3.823  -4.121
  110   HD13  LEU  17          HD13      LEU  17   4.084  -2.517  -5.222
  111   HD21  LEU  17          HD21      LEU  17   1.428  -0.890  -5.246
  112   HD22  LEU  17          HD22      LEU  17   3.057  -0.183  -5.023
  113   HD23  LEU  17          HD23      LEU  17   1.775   0.132  -3.828
  114    H    ALA  18           H        ALA  18  -0.460  -0.108  -0.109
  115    HA   ALA  18           HA       ALA  18  -2.065   1.178  -2.136
  116    HB1  ALA  18           HB1      ALA  18  -4.287   0.363  -1.628
  117    HB2  ALA  18           HB2      ALA  18  -3.300  -1.085  -1.989
  118    HB3  ALA  18           HB3      ALA  18  -3.714  -0.668  -0.301
  119    H    ALA  19           H        ALA  19  -2.231   0.211   1.436
  120    HA   ALA  19           HA       ALA  19  -3.334   2.623   2.327
  121    HB1  ALA  19           HB1      ALA  19  -1.142   0.934   3.702
  122    HB2  ALA  19           HB2      ALA  19  -2.114   2.212   4.494
  123    HB3  ALA  19           HB3      ALA  19  -2.908   0.727   3.889
  124    H    ARG  20           H        ARG  20   0.173   1.863   1.480
  125    HA   ARG  20           HA       ARG  20   0.521   4.848   1.326
  126    HB2  ARG  20           HB2      ARG  20   2.704   2.817   1.981
  127    HB3  ARG  20           HB3      ARG  20   2.924   4.541   1.603
  128    HG2  ARG  20           HG2      ARG  20   2.884   4.777   3.889
  129    HG3  ARG  20           HG3      ARG  20   1.138   4.891   3.640
  130    HD2  ARG  20           HD2      ARG  20   0.863   2.476   4.151
  131    HD3  ARG  20           HD3      ARG  20   2.590   2.250   4.412
  132    HE   ARG  20           HE       ARG  20   0.633   3.465   6.225
  133   HH11  ARG  20          HH12      ARG  20   4.165   3.542   5.373
  134   HH12  ARG  20          HH11      ARG  20   4.576   4.214   6.940
  135   HH21  ARG  20          HH22      ARG  20   1.310   4.300   8.188
  136   HH22  ARG  20          HH21      ARG  20   3.016   4.613   8.498
  137    H    ASP  21           H        ASP  21  -0.826   3.833  -0.715
  138    HA   ASP  21           HA       ASP  21   1.131   4.780  -2.635
  139    HB2  ASP  21           HB2      ASP  21   1.099   2.014  -2.369
  140    HB3  ASP  21           HB3      ASP  21  -0.096   2.198  -3.658
  141    H    PHE  22           H        PHE  22  -1.319   5.901  -1.606
  142    HA   PHE  22           HA       PHE  22  -2.350   6.913  -3.937
  143    HB2  PHE  22           HB2      PHE  22  -3.594   4.277  -3.423
  144    HB3  PHE  22           HB3      PHE  22  -4.821   5.554  -3.417
  145    HD1  PHE  22           HD1      PHE  22  -4.502   7.475  -5.241
  146    HD2  PHE  22           HD2      PHE  22  -3.224   3.385  -5.680
  147    HE1  PHE  22           HE1      PHE  22  -4.538   7.729  -7.700
  148    HE2  PHE  22           HE2      PHE  22  -3.264   3.644  -8.140
  149    HZ   PHE  22           HZ       PHE  22  -3.918   5.814  -9.159
  150    H    ILE  23           H        ILE  23  -2.923   8.940  -2.953
  151    HA   ILE  23           HA       ILE  23  -3.764  10.386  -1.392
  152    HB   ILE  23           HB       ILE  23  -5.740   8.238  -0.539
  153   HG12  ILE  23          HG12      ILE  23  -5.740   8.211  -3.031
  154   HG13  ILE  23          HG13      ILE  23  -7.238   8.895  -2.390
  155   HG21  ILE  23          HG21      ILE  23  -5.895  11.312  -0.603
  156   HG22  ILE  23          HG22      ILE  23  -7.301  10.247  -0.325
  157   HG23  ILE  23          HG23      ILE  23  -5.957  10.255   0.824
  158   HD11  ILE  23          HD11      ILE  23  -6.415  10.165  -4.362
  159   HD12  ILE  23          HD12      ILE  23  -6.442  11.222  -2.931
  160   HD13  ILE  23          HD13      ILE  23  -4.891  10.564  -3.533
  161    H    ASN  24           H        ASN  24  -1.422   8.782  -0.703
  162    HA   ASN  24           HA       ASN  24  -1.525   9.617   2.062
  163    HB2  ASN  24           HB2      ASN  24  -0.728   6.707   1.800
  164    HB3  ASN  24           HB3      ASN  24  -0.889   7.677   3.265
  165   HD21  ASN  24          HD21      ASN  24  -2.725   6.104   0.558
  166   HD22  ASN  24          HD22      ASN  24  -4.218   6.005   1.412
  167    H    TRP  25           H        TRP  25   0.478   7.385  -0.090
  168    HA   TRP  25           HA       TRP  25   2.879   8.356   1.045
  169    HB2  TRP  25           HB2      TRP  25   4.008   6.884  -0.272
  170    HB3  TRP  25           HB3      TRP  25   2.412   6.170  -0.492
  171    HD1  TRP  25           HD1      TRP  25   5.321   6.783  -2.369
  172    HE1  TRP  25           HE1      TRP  25   4.952   7.132  -4.814
  173    HE3  TRP  25           HE3      TRP  25   0.175   7.676  -2.412
  174    HZ2  TRP  25           HZ2      TRP  25   2.970   7.770  -6.561
  175    HZ3  TRP  25           HZ3      TRP  25  -0.776   8.514  -4.566
  176    HH2  TRP  25           HH2      TRP  25   0.554   8.415  -6.639
  177    H    LEU  26           H        LEU  26   0.856   9.767  -1.522
  178    HA   LEU  26           HA       LEU  26   3.030  11.766  -2.086
  179    HB2  LEU  26           HB2      LEU  26   1.877  10.260  -3.904
  180    HB3  LEU  26           HB3      LEU  26   0.407  11.191  -3.567
  181    HG   LEU  26           HG       LEU  26   1.944  13.296  -4.214
  182   HD11  LEU  26          HD11      LEU  26   4.150  12.021  -4.202
  183   HD12  LEU  26          HD12      LEU  26   3.799  12.753  -5.789
  184   HD13  LEU  26          HD13      LEU  26   3.541  11.006  -5.540
  185   HD21  LEU  26          HD21      LEU  26   0.043  12.512  -5.599
  186   HD22  LEU  26          HD22      LEU  26   1.057  11.225  -6.316
  187   HD23  LEU  26          HD23      LEU  26   1.423  12.947  -6.640
  188    H    ILE  27           H        ILE  27   0.313  11.408  -0.013
  189    HA   ILE  27           HA       ILE  27  -0.499  14.286  -0.344
  190    HB   ILE  27           HB       ILE  27  -2.023  11.704  -0.272
  191   HG12  ILE  27          HG12      ILE  27  -3.782  13.013  -1.409
  192   HG13  ILE  27          HG13      ILE  27  -2.909  14.533  -1.103
  193   HG21  ILE  27          HG21      ILE  27  -2.649  12.311   2.012
  194   HG22  ILE  27          HG22      ILE  27  -3.020  13.989   1.510
  195   HG23  ILE  27          HG23      ILE  27  -4.017  12.621   0.944
  196   HD11  ILE  27          HD11      ILE  27  -1.823  12.198  -2.817
  197   HD12  ILE  27          HD12      ILE  27  -2.668  13.633  -3.471
  198   HD13  ILE  27          HD13      ILE  27  -1.098  13.831  -2.669
  199    H    GLN  28           H        GLN  28  -0.323  11.557   2.122
  200    HA   GLN  28           HA       GLN  28  -0.644  13.459   4.259
  201    HB2  GLN  28           HB2      GLN  28  -1.095  10.828   4.195
  202    HB3  GLN  28           HB3      GLN  28   0.642  10.684   4.544
  203    HG2  GLN  28           HG2      GLN  28  -0.476  10.599   6.684
  204    HG3  GLN  28           HG3      GLN  28   0.111  12.278   6.605
  205   HE21  GLN  28          HE21      GLN  28  -2.820  10.160   5.874
  206   HE22  GLN  28          HE22      GLN  28  -3.965  11.404   6.218
  207    H    THR  29           H        THR  29   2.129  12.288   2.295
  208    HA   THR  29           HA       THR  29   4.096  12.974   4.380
  209    HB   THR  29           HB       THR  29   5.718  12.232   2.609
  210    HG1  THR  29           HG1      THR  29   4.677  11.490   0.585
  211   HG21  THR  29          HG21      THR  29   3.349  10.292   3.028
  212   HG22  THR  29          HG22      THR  29   4.734  10.513   4.143
  213   HG23  THR  29          HG23      THR  29   4.997   9.840   2.506
  214    H    LYS  30           H        LYS  30   2.443  14.860   1.864
  215    HA   LYS  30           HA       LYS  30   4.572  16.947   2.250
  216    HB2  LYS  30           HB2      LYS  30   4.522  17.438  -0.172
  217    HB3  LYS  30           HB3      LYS  30   5.135  15.788   0.117
  218    HG2  LYS  30           HG2      LYS  30   3.074  14.744  -0.567
  219    HG3  LYS  30           HG3      LYS  30   2.169  16.270  -0.460
  220    HD2  LYS  30           HD2      LYS  30   2.326  15.932  -2.764
  221    HD3  LYS  30           HD3      LYS  30   3.509  17.213  -2.409
  222    HE2  LYS  30           HE2      LYS  30   5.359  15.507  -2.525
  223    HE3  LYS  30           HE3      LYS  30   4.147  14.215  -2.792
  224    HZ1  LYS  30           HZ1      LYS  30   5.122  14.943  -4.926
  225    HZ2  LYS  30           HZ2      LYS  30   4.626  16.588  -4.628
  226    HZ3  LYS  30           HZ3      LYS  30   3.433  15.339  -4.883
  227    H    ILE  31           H        ILE  31   1.916  16.674   3.523
  228    HA   ILE  31           HA       ILE  31   0.928  19.337   2.663
  229    HB   ILE  31           HB       ILE  31  -1.027  16.955   2.803
  230   HG12  ILE  31          HG12      ILE  31  -0.021  18.508   0.337
  231   HG13  ILE  31          HG13      ILE  31   0.324  16.807   0.763
  232   HG21  ILE  31          HG21      ILE  31  -1.933  19.184   3.612
  233   HG22  ILE  31          HG22      ILE  31  -1.527  19.885   2.016
  234   HG23  ILE  31          HG23      ILE  31  -2.749  18.582   2.161
  235   HD11  ILE  31          HD11      ILE  31  -2.406  17.913  -0.078
  236   HD12  ILE  31          HD12      ILE  31  -1.363  16.749  -0.928
  237   HD13  ILE  31          HD13      ILE  31  -2.150  16.279   0.610
  238    H    THR  32           H        THR  32   0.073  16.497   4.865
  239    HA   THR  32           HA       THR  32  -1.051  18.207   6.829
  240    HB   THR  32           HB       THR  32   0.164  15.386   7.085
  241    HG1  THR  32           HG1      THR  32  -1.881  15.598   5.820
  242   HG21  THR  32          HG21      THR  32  -1.181  15.227   9.190
  243   HG22  THR  32          HG22      THR  32  -1.506  16.986   9.115
  244   HG23  THR  32          HG23      THR  32   0.167  16.383   9.360
  245    H    ASP  33           H        ASP  33   2.413  17.463   6.099
  246    HA   ASP  33           HA       ASP  33   4.316  18.332   7.067
  247    HB2  ASP  33           HB2      ASP  33   2.494  20.427   8.408
  248    HB3  ASP  33           HB3      ASP  33   4.256  20.496   8.182
  Start of MODEL    4
    1    H1   HIS   1           H1       HIS   1  -0.144 -27.369 -11.193
    2    HA   HIS   1           HA       HIS   1  -1.829 -26.779  -9.479
    3    HB2  HIS   1           HB2      HIS   1   0.721 -26.246  -7.828
    4    HB3  HIS   1           HB3      HIS   1  -0.941 -25.982  -7.241
    5    HD1  HIS   1           HD1      HIS   1  -2.463 -28.356  -7.665
    6    HD2  HIS   1           HD2      HIS   1   1.667 -28.564  -6.916
    7    HE1  HIS   1           HE1      HIS   1  -2.045 -30.698  -6.814
    8    H    ALA   2           H        ALA   2  -2.265 -24.403  -8.688
    9    HA   ALA   2           HA       ALA   2  -1.455 -22.682 -10.847
   10    HB1  ALA   2           HB1      ALA   2  -3.638 -22.360  -9.701
   11    HB2  ALA   2           HB2      ALA   2  -2.806 -21.933  -8.180
   12    HB3  ALA   2           HB3      ALA   2  -2.644 -20.877  -9.612
   13    H    ASP   3           H        ASP   3  -0.603 -22.732  -7.266
   14    HA   ASP   3           HA       ASP   3   2.040 -21.651  -7.906
   15    HB2  ASP   3           HB2      ASP   3   0.773 -19.560  -8.122
   16    HB3  ASP   3           HB3      ASP   3  -0.101 -19.859  -6.611
   17    H    GLY   4           H        GLY   4  -0.287 -21.632  -5.020
   18    HA2  GLY   4           HA2      GLY   4   0.536 -23.607  -3.504
   19    HA3  GLY   4           HA3      GLY   4   2.010 -22.611  -3.375
   20    H    SER   5           H        SER   5   1.288 -20.032  -3.180
   21    HA   SER   5           HA       SER   5  -0.892 -19.824  -1.141
   22    HB2  SER   5           HB2      SER   5   2.038 -19.010  -0.674
   23    HB3  SER   5           HB3      SER   5   0.662 -18.663   0.428
   24    HG   SER   5           HG       SER   5   1.791 -20.682   1.020
   25    H    PHE   6           H        PHE   6  -1.413 -18.997  -3.562
   26    HA   PHE   6           HA       PHE   6  -0.318 -16.456  -4.235
   27    HB2  PHE   6           HB2      PHE   6  -2.270 -18.102  -5.487
   28    HB3  PHE   6           HB3      PHE   6  -3.205 -16.678  -5.022
   29    HD1  PHE   6           HD1      PHE   6  -1.658 -14.355  -5.403
   30    HD2  PHE   6           HD2      PHE   6  -1.505 -17.976  -7.728
   31    HE1  PHE   6           HE1      PHE   6  -0.649 -13.112  -7.283
   32    HE2  PHE   6           HE2      PHE   6  -0.504 -16.727  -9.601
   33    HZ   PHE   6           HZ       PHE   6  -0.064 -14.294  -9.387
   34    H    SER   7           H        SER   7  -3.250 -17.444  -2.294
   35    HA   SER   7           HA       SER   7  -4.398 -15.029  -1.838
   36    HB2  SER   7           HB2      SER   7  -5.300 -17.101  -0.840
   37    HB3  SER   7           HB3      SER   7  -3.936 -17.187   0.305
   38    HG   SER   7           HG       SER   7  -5.862 -15.063   0.264
   39    H    ASP   8           H        ASP   8  -1.611 -16.277   0.256
   40    HA   ASP   8           HA       ASP   8  -1.482 -14.011   1.911
   41    HB2  ASP   8           HB2      ASP   8   0.812 -15.776   0.848
   42    HB3  ASP   8           HB3      ASP   8   1.066 -14.443   2.003
   43    H    GLU   9           H        GLU   9   0.170 -14.559  -1.302
   44    HA   GLU   9           HA       GLU   9   1.421 -11.999  -1.183
   45    HB2  GLU   9           HB2      GLU   9   2.139 -13.994  -2.587
   46    HB3  GLU   9           HB3      GLU   9   0.842 -13.592  -3.747
   47    HG2  GLU   9           HG2      GLU   9   1.925 -11.363  -4.154
   48    HG3  GLU   9           HG3      GLU   9   3.126 -11.676  -2.874
   49    H    MET  10           H        MET  10  -1.792 -13.113  -2.414
   50    HA   MET  10           HA       MET  10  -2.352 -10.667  -3.804
   51    HB2  MET  10           HB2      MET  10  -3.501 -12.965  -4.115
   52    HB3  MET  10           HB3      MET  10  -4.443 -12.600  -2.644
   53    HG2  MET  10           HG2      MET  10  -5.406 -10.560  -3.813
   54    HG3  MET  10           HG3      MET  10  -4.362 -10.891  -5.225
   55    HE1  MET  10           HE1      MET  10  -7.943 -11.187  -4.203
   56    HE2  MET  10           HE2      MET  10  -8.361 -12.928  -4.305
   57    HE3  MET  10           HE3      MET  10  -7.302 -12.339  -2.980
   58    H    ASN  11           H        ASN  11  -2.379 -11.509  -0.327
   59    HA   ASN  11           HA       ASN  11  -4.145  -9.210   0.276
   60    HB2  ASN  11           HB2      ASN  11  -2.498 -10.863   2.249
   61    HB3  ASN  11           HB3      ASN  11  -3.948  -9.886   2.583
   62   HD21  ASN  11          HD21      ASN  11  -5.860 -10.785   0.652
   63   HD22  ASN  11          HD22      ASN  11  -6.075 -12.477   0.840
   64    H    THR  12           H        THR  12  -0.580 -10.099   0.498
   65    HA   THR  12           HA       THR  12   0.082  -7.743   1.935
   66    HB   THR  12           HB       THR  12   2.432  -8.076   0.986
   67    HG1  THR  12           HG1      THR  12   1.831  -9.179  -1.029
   68   HG21  THR  12          HG21      THR  12   1.776  -9.166   3.123
   69   HG22  THR  12          HG22      THR  12   2.838 -10.237   2.165
   70   HG23  THR  12          HG23      THR  12   1.085 -10.555   2.234
   71    H    ILE  13           H        ILE  13  -0.368  -8.265  -1.646
   72    HA   ILE  13           HA       ILE  13   0.774  -5.763  -2.350
   73    HB   ILE  13           HB       ILE  13  -0.587  -5.729  -4.400
   74   HG12  ILE  13          HG12      ILE  13  -1.989  -8.087  -4.710
   75   HG13  ILE  13          HG13      ILE  13  -2.219  -7.842  -2.976
   76   HG21  ILE  13          HG21      ILE  13   1.509  -7.030  -4.328
   77   HG22  ILE  13          HG22      ILE  13   0.620  -8.497  -3.840
   78   HG23  ILE  13          HG23      ILE  13   0.332  -7.770  -5.441
   79   HD11  ILE  13          HD11      ILE  13  -3.003  -5.930  -5.252
   80   HD12  ILE  13          HD12      ILE  13  -4.104  -6.878  -4.213
   81   HD13  ILE  13          HD13      ILE  13  -3.192  -5.505  -3.536
   82    H    LEU  14           H        LEU  14  -2.444  -6.512  -0.887
   83    HA   LEU  14           HA       LEU  14  -3.328  -3.784  -1.540
   84    HB2  LEU  14           HB2      LEU  14  -4.691  -6.050  -1.498
   85    HB3  LEU  14           HB3      LEU  14  -4.915  -5.700   0.224
   86    HG   LEU  14           HG       LEU  14  -5.600  -3.721  -2.073
   87   HD11  LEU  14          HD11      LEU  14  -6.889  -5.794  -2.470
   88   HD12  LEU  14          HD12      LEU  14  -7.962  -4.490  -1.914
   89   HD13  LEU  14          HD13      LEU  14  -7.476  -5.784  -0.781
   90   HD21  LEU  14          HD21      LEU  14  -7.108  -2.661  -0.401
   91   HD22  LEU  14          HD22      LEU  14  -5.441  -2.683   0.221
   92   HD23  LEU  14          HD23      LEU  14  -6.634  -3.869   0.829
   93    H    ASP  15           H        ASP  15  -2.357  -5.698   1.460
   94    HA   ASP  15           HA       ASP  15  -2.804  -3.481   3.197
   95    HB2  ASP  15           HB2      ASP  15  -2.401  -5.817   4.024
   96    HB3  ASP  15           HB3      ASP  15  -0.706  -5.723   3.488
   97    H    ASN  16           H        ASN  16   0.169  -4.572   1.395
   98    HA   ASN  16           HA       ASN  16   1.701  -2.357   2.557
   99    HB2  ASN  16           HB2      ASN  16   2.542  -4.721   2.195
  100    HB3  ASN  16           HB3      ASN  16   2.612  -4.381   0.444
  101   HD21  ASN  16          HD21      ASN  16   4.936  -5.112   2.087
  102   HD22  ASN  16          HD22      ASN  16   5.982  -3.744   2.077
  103    H    LEU  17           H        LEU  17   0.313  -3.221  -0.721
  104    HA   LEU  17           HA       LEU  17   1.562  -0.708  -1.764
  105    HB2  LEU  17           HB2      LEU  17   1.661  -3.371  -2.697
  106    HB3  LEU  17           HB3      LEU  17   0.514  -2.615  -3.805
  107    HG   LEU  17           HG       LEU  17   3.354  -1.607  -3.167
  108   HD11  LEU  17          HD11      LEU  17   2.316  -3.121  -5.645
  109   HD12  LEU  17          HD12      LEU  17   3.381  -3.795  -4.379
  110   HD13  LEU  17          HD13      LEU  17   3.969  -2.477  -5.425
  111   HD21  LEU  17          HD21      LEU  17   1.401  -0.704  -5.395
  112   HD22  LEU  17          HD22      LEU  17   3.068  -0.110  -5.150
  113   HD23  LEU  17          HD23      LEU  17   1.810   0.246  -3.946
  114    H    ALA  18           H        ALA  18  -0.438  -0.044  -0.206
  115    HA   ALA  18           HA       ALA  18  -2.176   1.233  -2.112
  116    HB1  ALA  18           HB1      ALA  18  -3.397  -1.043  -1.897
  117    HB2  ALA  18           HB2      ALA  18  -3.719  -0.612  -0.196
  118    HB3  ALA  18           HB3      ALA  18  -4.358   0.408  -1.494
  119    H    ALA  19           H        ALA  19  -2.133   0.222   1.447
  120    HA   ALA  19           HA       ALA  19  -3.211   2.611   2.432
  121    HB1  ALA  19           HB1      ALA  19  -2.667   0.667   3.930
  122    HB2  ALA  19           HB2      ALA  19  -0.916   0.951   3.679
  123    HB3  ALA  19           HB3      ALA  19  -1.910   2.173   4.530
  124    H    ARG  20           H        ARG  20   0.219   1.881   1.342
  125    HA   ARG  20           HA       ARG  20   0.636   4.853   1.358
  126    HB2  ARG  20           HB2      ARG  20   2.761   2.730   1.845
  127    HB3  ARG  20           HB3      ARG  20   2.997   4.497   1.765
  128    HG2  ARG  20           HG2      ARG  20   1.296   4.696   3.737
  129    HG3  ARG  20           HG3      ARG  20   1.360   2.921   3.846
  130    HD2  ARG  20           HD2      ARG  20   2.875   3.785   5.489
  131    HD3  ARG  20           HD3      ARG  20   3.885   3.110   4.168
  132    HE   ARG  20           HE       ARG  20   3.438   5.927   3.716
  133   HH11  ARG  20          HH12      ARG  20   5.188   3.769   6.009
  134   HH12  ARG  20          HH11      ARG  20   6.385   5.009   6.366
  135   HH21  ARG  20          HH22      ARG  20   5.015   7.443   4.235
  136   HH22  ARG  20          HH21      ARG  20   6.295   7.046   5.386
  137    H    ASP  21           H        ASP  21  -0.765   3.841  -0.718
  138    HA   ASP  21           HA       ASP  21   1.134   4.847  -2.686
  139    HB2  ASP  21           HB2      ASP  21   1.337   2.199  -2.523
  140    HB3  ASP  21           HB3      ASP  21  -0.189   2.186  -3.422
  141    H    PHE  22           H        PHE  22  -1.330   5.931  -1.540
  142    HA   PHE  22           HA       PHE  22  -2.469   6.959  -3.811
  143    HB2  PHE  22           HB2      PHE  22  -3.635   4.283  -3.307
  144    HB3  PHE  22           HB3      PHE  22  -4.882   5.533  -3.252
  145    HD1  PHE  22           HD1      PHE  22  -4.670   7.472  -5.064
  146    HD2  PHE  22           HD2      PHE  22  -3.296   3.427  -5.585
  147    HE1  PHE  22           HE1      PHE  22  -4.775   7.753  -7.517
  148    HE2  PHE  22           HE2      PHE  22  -3.402   3.715  -8.037
  149    HZ   PHE  22           HZ       PHE  22  -4.137   5.874  -9.012
  150    H    ILE  23           H        ILE  23  -3.097   8.947  -2.782
  151    HA   ILE  23           HA       ILE  23  -3.916  10.337  -1.154
  152    HB   ILE  23           HB       ILE  23  -5.768   8.097  -0.259
  153   HG12  ILE  23          HG12      ILE  23  -5.896   8.099  -2.744
  154   HG13  ILE  23          HG13      ILE  23  -7.374   8.745  -2.025
  155   HG21  ILE  23          HG21      ILE  23  -6.078  11.155  -0.260
  156   HG22  ILE  23          HG22      ILE  23  -7.398  10.009   0.075
  157   HG23  ILE  23          HG23      ILE  23  -5.999  10.081   1.148
  158   HD11  ILE  23          HD11      ILE  23  -6.689  10.054  -4.018
  159   HD12  ILE  23          HD12      ILE  23  -6.626  11.097  -2.582
  160   HD13  ILE  23          HD13      ILE  23  -5.120  10.446  -3.286
  161    H    ASN  24           H        ASN  24  -1.496   8.754  -0.620
  162    HA   ASN  24           HA       ASN  24  -1.465   9.560   2.159
  163    HB2  ASN  24           HB2      ASN  24  -0.667   6.673   1.763
  164    HB3  ASN  24           HB3      ASN  24  -0.710   7.591   3.267
  165   HD21  ASN  24          HD21      ASN  24  -2.731   6.054   0.682
  166   HD22  ASN  24          HD22      ASN  24  -4.161   5.952   1.636
  167    H    TRP  25           H        TRP  25   0.484   7.401  -0.115
  168    HA   TRP  25           HA       TRP  25   2.906   8.510   0.882
  169    HB2  TRP  25           HB2      TRP  25   4.022   7.017  -0.421
  170    HB3  TRP  25           HB3      TRP  25   2.442   6.248  -0.558
  171    HD1  TRP  25           HD1      TRP  25   5.241   6.843  -2.578
  172    HE1  TRP  25           HE1      TRP  25   4.774   7.166  -5.011
  173    HE3  TRP  25           HE3      TRP  25   0.104   7.741  -2.417
  174    HZ2  TRP  25           HZ2      TRP  25   2.720   7.787  -6.681
  175    HZ3  TRP  25           HZ3      TRP  25  -0.939   8.551  -4.536
  176    HH2  TRP  25           HH2      TRP  25   0.301   8.437  -6.661
  177    H    LEU  26           H        LEU  26   0.628   9.855  -1.480
  178    HA   LEU  26           HA       LEU  26   2.730  11.863  -2.225
  179    HB2  LEU  26           HB2      LEU  26   1.858  10.231  -4.050
  180    HB3  LEU  26           HB3      LEU  26   0.287  11.025  -3.834
  181    HG   LEU  26           HG       LEU  26   1.857  13.264  -4.293
  182   HD11  LEU  26          HD11      LEU  26   3.378  11.052  -5.803
  183   HD12  LEU  26          HD12      LEU  26   4.005  11.912  -4.370
  184   HD13  LEU  26          HD13      LEU  26   3.688  12.807  -5.881
  185   HD21  LEU  26          HD21      LEU  26   0.876  11.352  -6.500
  186   HD22  LEU  26          HD22      LEU  26   1.283  13.079  -6.730
  187   HD23  LEU  26          HD23      LEU  26  -0.093  12.620  -5.691
  188    H    ILE  27           H        ILE  27   0.940  11.812   0.213
  189    HA   ILE  27           HA       ILE  27  -0.373  14.349  -0.233
  190    HB   ILE  27           HB       ILE  27  -1.860  11.895  -0.713
  191   HG12  ILE  27          HG12      ILE  27  -3.029  14.740  -0.686
  192   HG13  ILE  27          HG13      ILE  27  -1.930  14.208  -1.972
  193   HG21  ILE  27          HG21      ILE  27  -3.951  12.383   0.699
  194   HG22  ILE  27          HG22      ILE  27  -2.579  11.825   1.631
  195   HG23  ILE  27          HG23      ILE  27  -2.990  13.564   1.614
  196   HD11  ILE  27          HD11      ILE  27  -4.192  13.981  -2.787
  197   HD12  ILE  27          HD12      ILE  27  -3.455  12.367  -2.614
  198   HD13  ILE  27          HD13      ILE  27  -4.669  12.943  -1.431
  199    H    GLN  28           H        GLN  28  -0.335  11.528   2.127
  200    HA   GLN  28           HA       GLN  28  -0.410  13.421   4.349
  201    HB2  GLN  28           HB2      GLN  28   0.428  10.461   4.223
  202    HB3  GLN  28           HB3      GLN  28   0.310  11.398   5.720
  203    HG2  GLN  28           HG2      GLN  28  -2.222  11.468   4.069
  204    HG3  GLN  28           HG3      GLN  28  -1.763   9.848   4.618
  205   HE21  GLN  28          HE21      GLN  28  -2.213  13.251   5.967
  206   HE22  GLN  28          HE22      GLN  28  -2.789  12.669   7.482
  207    H    THR  29           H        THR  29   2.098  11.536   2.466
  208    HA   THR  29           HA       THR  29   4.208  12.604   4.200
  209    HB   THR  29           HB       THR  29   4.451  10.956   1.620
  210    HG1  THR  29           HG1      THR  29   3.336   9.747   3.362
  211   HG21  THR  29          HG21      THR  29   6.673  10.326   2.580
  212   HG22  THR  29          HG22      THR  29   6.422  11.446   3.947
  213   HG23  THR  29          HG23      THR  29   6.600  12.083   2.281
  214    H    LYS  30           H        LYS  30   2.775  13.412   0.946
  215    HA   LYS  30           HA       LYS  30   5.124  15.194   0.422
  216    HB2  LYS  30           HB2      LYS  30   4.161  13.282  -1.055
  217    HB3  LYS  30           HB3      LYS  30   2.923  14.461  -1.551
  218    HG2  LYS  30           HG2      LYS  30   6.011  14.672  -1.907
  219    HG3  LYS  30           HG3      LYS  30   4.857  14.070  -3.102
  220    HD2  LYS  30           HD2      LYS  30   5.108  16.171  -3.952
  221    HD3  LYS  30           HD3      LYS  30   3.733  16.498  -2.885
  222    HE2  LYS  30           HE2      LYS  30   5.427  17.408  -1.168
  223    HE3  LYS  30           HE3      LYS  30   6.736  17.000  -2.293
  224    HZ1  LYS  30           HZ1      LYS  30   5.824  18.555  -3.961
  225    HZ2  LYS  30           HZ2      LYS  30   6.120  19.375  -2.467
  226    HZ3  LYS  30           HZ3      LYS  30   4.491  18.944  -2.907
  227    H    ILE  31           H        ILE  31   2.933  15.829   2.453
  228    HA   ILE  31           HA       ILE  31   2.560  18.566   1.462
  229    HB   ILE  31           HB       ILE  31   0.103  17.033   2.467
  230   HG12  ILE  31          HG12      ILE  31   0.674  18.130  -0.349
  231   HG13  ILE  31          HG13      ILE  31   0.707  16.415   0.120
  232   HG21  ILE  31          HG21      ILE  31   0.244  19.442   3.212
  233   HG22  ILE  31          HG22      ILE  31   0.345  19.937   1.502
  234   HG23  ILE  31          HG23      ILE  31  -1.120  19.135   2.136
  235   HD11  ILE  31          HD11      ILE  31  -1.737  16.544   0.774
  236   HD12  ILE  31          HD12      ILE  31  -1.795  18.195   0.090
  237   HD13  ILE  31          HD13      ILE  31  -1.416  16.817  -0.961
  238    H    THR  32           H        THR  32   1.506  16.335   4.233
  239    HA   THR  32           HA       THR  32   1.709  18.264   6.205
  240    HB   THR  32           HB       THR  32   2.627  15.341   6.528
  241    HG1  THR  32           HG1      THR  32  -0.068  16.314   6.481
  242   HG21  THR  32          HG21      THR  32   1.249  17.255   8.505
  243   HG22  THR  32          HG22      THR  32   2.968  16.749   8.568
  244   HG23  THR  32          HG23      THR  32   1.666  15.542   8.807
  245    H    ASP  33           H        ASP  33   4.348  16.108   4.824
  246    HA   ASP  33           HA       ASP  33   6.344  17.463   6.539
  247    HB2  ASP  33           HB2      ASP  33   6.438  14.987   5.978
  248    HB3  ASP  33           HB3      ASP  33   6.825  15.433   4.293
  Start of MODEL    5
    1    H1   HIS   1           H1       HIS   1   6.829 -26.404  -6.669
    2    HA   HIS   1           HA       HIS   1   4.517 -25.523  -6.669
    3    HB2  HIS   1           HB2      HIS   1   3.290 -27.648  -7.303
    4    HB3  HIS   1           HB3      HIS   1   4.913 -27.574  -8.041
    5    HD1  HIS   1           HD1      HIS   1   3.041 -29.254  -5.240
    6    HD2  HIS   1           HD2      HIS   1   6.744 -29.422  -7.223
    7    HE1  HIS   1           HE1      HIS   1   4.164 -31.363  -4.412
    8    H    ALA   2           H        ALA   2   2.462 -25.373  -5.433
    9    HA   ALA   2           HA       ALA   2   2.082 -27.096  -3.102
   10    HB1  ALA   2           HB1      ALA   2   2.820 -24.118  -2.696
   11    HB2  ALA   2           HB2      ALA   2   2.283 -25.242  -1.410
   12    HB3  ALA   2           HB3      ALA   2   3.850 -25.495  -2.220
   13    H    ASP   3           H        ASP   3   0.388 -26.900  -5.219
   14    HA   ASP   3           HA       ASP   3  -1.834 -26.563  -5.631
   15    HB2  ASP   3           HB2      ASP   3  -2.096 -26.789  -3.102
   16    HB3  ASP   3           HB3      ASP   3  -2.227 -25.014  -3.016
   17    H    GLY   4           H        GLY   4  -0.566 -23.454  -4.060
   18    HA2  GLY   4           HA2      GLY   4  -0.557 -22.104  -6.586
   19    HA3  GLY   4           HA3      GLY   4  -2.083 -21.759  -5.728
   20    H    SER   5           H        SER   5  -1.515 -21.442  -3.093
   21    HA   SER   5           HA       SER   5  -0.681 -19.887  -1.601
   22    HB2  SER   5           HB2      SER   5   1.275 -21.436  -1.847
   23    HB3  SER   5           HB3      SER   5   1.958 -20.349  -3.097
   24    HG   SER   5           HG       SER   5   2.739 -19.792  -0.907
   25    H    PHE   6           H        PHE   6  -2.053 -18.806  -3.851
   26    HA   PHE   6           HA       PHE   6  -0.529 -16.347  -4.509
   27    HB2  PHE   6           HB2      PHE   6  -2.572 -15.652  -5.747
   28    HB3  PHE   6           HB3      PHE   6  -1.922 -17.208  -6.298
   29    HD1  PHE   6           HD2      PHE   6  -4.640 -15.608  -4.256
   30    HD2  PHE   6           HD1      PHE   6  -3.272 -19.230  -6.141
   31    HE1  PHE   6           HE2      PHE   6  -6.799 -16.700  -3.740
   32    HE2  PHE   6           HE1      PHE   6  -5.431 -20.313  -5.628
   33    HZ   PHE   6           HZ       PHE   6  -7.197 -19.057  -4.413
   34    H    SER   7           H        SER   7  -3.195 -17.448  -2.246
   35    HA   SER   7           HA       SER   7  -4.293 -15.062  -1.562
   36    HB2  SER   7           HB2      SER   7  -4.979 -17.152  -0.447
   37    HB3  SER   7           HB3      SER   7  -3.411 -17.249   0.403
   38    HG   SER   7           HG       SER   7  -5.312 -15.128   0.789
   39    H    ASP   8           H        ASP   8  -1.102 -16.340  -0.252
   40    HA   ASP   8           HA       ASP   8  -0.682 -14.223   1.555
   41    HB2  ASP   8           HB2      ASP   8   1.440 -15.768  -0.071
   42    HB3  ASP   8           HB3      ASP   8   1.784 -14.715   1.326
   43    H    GLU   9           H        GLU   9   0.437 -14.461  -1.941
   44    HA   GLU   9           HA       GLU   9   1.552 -11.802  -1.758
   45    HB2  GLU   9           HB2      GLU   9   2.281 -13.706  -3.370
   46    HB3  GLU   9           HB3      GLU   9   0.882 -13.238  -4.374
   47    HG2  GLU   9           HG2      GLU   9   1.887 -10.875  -4.507
   48    HG3  GLU   9           HG3      GLU   9   3.249 -11.424  -3.496
   49    H    MET  10           H        MET  10  -1.728 -13.048  -2.422
   50    HA   MET  10           HA       MET  10  -2.559 -10.700  -3.922
   51    HB2  MET  10           HB2      MET  10  -3.578 -12.953  -4.172
   52    HB3  MET  10           HB3      MET  10  -4.196 -12.870  -2.495
   53    HG2  MET  10           HG2      MET  10  -5.702 -11.008  -3.054
   54    HG3  MET  10           HG3      MET  10  -5.004 -10.877  -4.705
   55    HE1  MET  10           HE1      MET  10  -7.742 -10.997  -5.153
   56    HE2  MET  10           HE2      MET  10  -8.636 -12.553  -5.180
   57    HE3  MET  10           HE3      MET  10  -8.306 -11.738  -3.615
   58    H    ASN  11           H        ASN  11  -2.479 -11.620  -0.395
   59    HA   ASN  11           HA       ASN  11  -4.239  -9.322   0.239
   60    HB2  ASN  11           HB2      ASN  11  -2.705 -11.089   2.200
   61    HB3  ASN  11           HB3      ASN  11  -4.151 -10.102   2.527
   62   HD21  ASN  11          HD21      ASN  11  -5.979 -10.879   0.442
   63   HD22  ASN  11          HD22      ASN  11  -6.235 -12.575   0.554
   64    H    THR  12           H        THR  12  -0.695 -10.246   0.628
   65    HA   THR  12           HA       THR  12  -0.094  -7.962   2.203
   66    HB   THR  12           HB       THR  12   2.277  -8.222   1.266
   67    HG1  THR  12           HG1      THR  12   2.530 -10.101  -0.157
   68   HG21  THR  12          HG21      THR  12   1.588  -9.452   3.335
   69   HG22  THR  12          HG22      THR  12   2.686 -10.460   2.355
   70   HG23  THR  12          HG23      THR  12   0.936 -10.797   2.358
   71    H    ILE  13           H        ILE  13  -0.174  -8.365  -1.445
   72    HA   ILE  13           HA       ILE  13   0.846  -5.790  -1.955
   73    HB   ILE  13           HB       ILE  13  -0.424  -5.731  -4.108
   74   HG12  ILE  13          HG12      ILE  13  -1.703  -8.367  -3.164
   75   HG13  ILE  13          HG13      ILE  13  -2.526  -6.815  -3.405
   76   HG21  ILE  13          HG21      ILE  13   1.080  -8.349  -3.531
   77   HG22  ILE  13          HG22      ILE  13   0.798  -7.660  -5.151
   78   HG23  ILE  13          HG23      ILE  13   1.798  -6.790  -3.978
   79   HD11  ILE  13          HD11      ILE  13  -3.031  -8.209  -5.287
   80   HD12  ILE  13          HD12      ILE  13  -1.918  -6.936  -5.870
   81   HD13  ILE  13          HD13      ILE  13  -1.324  -8.605  -5.587
   82    H    LEU  14           H        LEU  14  -2.536  -6.671  -0.933
   83    HA   LEU  14           HA       LEU  14  -3.358  -3.874  -1.356
   84    HB2  LEU  14           HB2      LEU  14  -4.793  -6.371  -0.453
   85    HB3  LEU  14           HB3      LEU  14  -5.247  -4.899   0.412
   86    HG   LEU  14           HG       LEU  14  -5.775  -3.738  -1.712
   87   HD11  LEU  14          HD11      LEU  14  -5.136  -6.421  -3.101
   88   HD12  LEU  14          HD12      LEU  14  -4.216  -4.906  -3.325
   89   HD13  LEU  14          HD13      LEU  14  -5.896  -5.007  -3.883
   90   HD21  LEU  14          HD21      LEU  14  -7.849  -5.012  -2.264
   91   HD22  LEU  14          HD22      LEU  14  -7.574  -5.026  -0.504
   92   HD23  LEU  14          HD23      LEU  14  -7.187  -6.472  -1.479
   93    H    ASP  15           H        ASP  15  -2.511  -5.902   1.592
   94    HA   ASP  15           HA       ASP  15  -3.042  -3.749   3.346
   95    HB2  ASP  15           HB2      ASP  15  -2.617  -6.120   4.106
   96    HB3  ASP  15           HB3      ASP  15  -0.888  -5.930   3.721
   97    H    ASN  16           H        ASN  16   0.034  -4.691   1.674
   98    HA   ASN  16           HA       ASN  16   1.469  -2.499   2.992
   99    HB2  ASN  16           HB2      ASN  16   2.356  -4.848   2.609
  100    HB3  ASN  16           HB3      ASN  16   2.490  -4.473   0.870
  101   HD21  ASN  16          HD21      ASN  16   4.746  -5.232   2.584
  102   HD22  ASN  16          HD22      ASN  16   5.784  -3.859   2.661
  103    H    LEU  17           H        LEU  17   0.254  -3.281  -0.387
  104    HA   LEU  17           HA       LEU  17   1.545  -0.736  -1.290
  105    HB2  LEU  17           HB2      LEU  17   1.817  -3.328  -2.265
  106    HB3  LEU  17           HB3      LEU  17   0.578  -2.711  -3.358
  107    HG   LEU  17           HG       LEU  17   3.367  -1.521  -2.817
  108   HD11  LEU  17          HD11      LEU  17   3.359  -3.657  -4.155
  109   HD12  LEU  17          HD12      LEU  17   3.893  -2.264  -5.129
  110   HD13  LEU  17          HD13      LEU  17   2.237  -2.907  -5.326
  111   HD21  LEU  17          HD21      LEU  17   1.793   0.350  -3.396
  112   HD22  LEU  17          HD22      LEU  17   1.218  -0.548  -4.821
  113   HD23  LEU  17          HD23      LEU  17   2.902   0.042  -4.743
  114    H    ALA  18           H        ALA  18  -0.602  -0.137   0.168
  115    HA   ALA  18           HA       ALA  18  -2.260   1.109  -1.832
  116    HB1  ALA  18           HB1      ALA  18  -3.834  -0.850  -0.056
  117    HB2  ALA  18           HB2      ALA  18  -4.453   0.176  -1.363
  118    HB3  ALA  18           HB3      ALA  18  -3.392  -1.208  -1.751
  119    H    ALA  19           H        ALA  19  -2.349   0.075   1.729
  120    HA   ALA  19           HA       ALA  19  -3.650   2.320   2.700
  121    HB1  ALA  19           HB1      ALA  19  -2.855   0.494   4.217
  122    HB2  ALA  19           HB2      ALA  19  -1.153   0.973   3.937
  123    HB3  ALA  19           HB3      ALA  19  -2.266   2.083   4.795
  124    H    ARG  20           H        ARG  20  -0.087   2.011   1.810
  125    HA   ARG  20           HA       ARG  20  -0.032   5.021   1.779
  126    HB2  ARG  20           HB2      ARG  20   2.329   3.122   2.200
  127    HB3  ARG  20           HB3      ARG  20   2.361   4.909   2.181
  128    HG2  ARG  20           HG2      ARG  20   0.720   4.873   4.154
  129    HG3  ARG  20           HG3      ARG  20   0.958   3.117   4.249
  130    HD2  ARG  20           HD2      ARG  20   3.416   3.445   4.531
  131    HD3  ARG  20           HD3      ARG  20   3.264   5.190   4.509
  132    HE   ARG  20           HE       ARG  20   2.661   3.324   6.696
  133   HH11  ARG  20          HH12      ARG  20   1.737   6.580   5.408
  134   HH12  ARG  20          HH11      ARG  20   1.183   7.106   6.990
  135   HH21  ARG  20          HH22      ARG  20   1.923   4.119   8.658
  136   HH22  ARG  20          HH21      ARG  20   1.287   5.760   8.784
  137    H    ASP  21           H        ASP  21  -1.163   3.544  -0.439
  138    HA   ASP  21           HA       ASP  21   0.641   4.952  -2.308
  139    HB2  ASP  21           HB2      ASP  21   1.238   2.386  -2.117
  140    HB3  ASP  21           HB3      ASP  21  -0.267   2.113  -3.026
  141    H    PHE  22           H        PHE  22  -2.208   5.368  -1.194
  142    HA   PHE  22           HA       PHE  22  -3.540   5.467  -3.879
  143    HB2  PHE  22           HB2      PHE  22  -4.391   4.056  -1.763
  144    HB3  PHE  22           HB3      PHE  22  -5.009   5.617  -1.211
  145    HD1  PHE  22           HD2      PHE  22  -5.128   2.986  -3.832
  146    HD2  PHE  22           HD1      PHE  22  -6.866   6.717  -2.566
  147    HE1  PHE  22           HE2      PHE  22  -7.045   2.604  -5.344
  148    HE2  PHE  22           HE1      PHE  22  -8.769   6.341  -4.108
  149    HZ   PHE  22           HZ       PHE  22  -8.873   4.279  -5.484
  150    H    ILE  23           H        ILE  23  -2.229   7.541  -1.287
  151    HA   ILE  23           HA       ILE  23  -3.003   9.850  -2.749
  152    HB   ILE  23           HB       ILE  23  -4.038  10.903  -0.470
  153   HG12  ILE  23          HG12      ILE  23  -5.126   8.013  -0.471
  154   HG13  ILE  23          HG13      ILE  23  -4.072   8.736   0.772
  155   HG21  ILE  23          HG21      ILE  23  -5.890   9.514  -2.483
  156   HG22  ILE  23          HG22      ILE  23  -6.214  10.982  -1.520
  157   HG23  ILE  23          HG23      ILE  23  -5.015  11.042  -2.820
  158   HD11  ILE  23          HD11      ILE  23  -6.991   9.519   0.169
  159   HD12  ILE  23          HD12      ILE  23  -6.339   8.770   1.646
  160   HD13  ILE  23          HD13      ILE  23  -5.906  10.460   1.248
  161    H    ASN  24           H        ASN  24  -1.777   8.719   0.562
  162    HA   ASN  24           HA       ASN  24  -0.366  10.835   1.291
  163    HB2  ASN  24           HB2      ASN  24   1.167   9.479   2.477
  164    HB3  ASN  24           HB3      ASN  24  -0.225   8.394   2.316
  165   HD21  ASN  24          HD21      ASN  24  -0.043   6.950   0.048
  166   HD22  ASN  24          HD22      ASN  24   1.565   6.407  -0.285
  167    H    TRP  25           H        TRP  25   0.621   8.736  -1.538
  168    HA   TRP  25           HA       TRP  25   3.169  10.198  -1.735
  169    HB2  TRP  25           HB2      TRP  25   3.886   8.469  -3.034
  170    HB3  TRP  25           HB3      TRP  25   2.433   7.590  -2.560
  171    HD1  TRP  25           HD1      TRP  25   4.184   9.143  -5.488
  172    HE1  TRP  25           HE1      TRP  25   2.856   8.857  -7.598
  173    HE3  TRP  25           HE3      TRP  25  -0.309   7.446  -3.484
  174    HZ2  TRP  25           HZ2      TRP  25   0.358   8.121  -8.415
  175    HZ3  TRP  25           HZ3      TRP  25  -2.195   7.109  -5.092
  176    HH2  TRP  25           HH2      TRP  25  -1.864   7.400  -7.514
  177    H    LEU  26           H        LEU  26  -0.058  10.053  -3.369
  178    HA   LEU  26           HA       LEU  26   0.740  11.880  -5.473
  179    HB2  LEU  26           HB2      LEU  26  -0.828  10.217  -5.923
  180    HB3  LEU  26           HB3      LEU  26  -1.918  10.653  -4.606
  181    HG   LEU  26           HG       LEU  26  -1.423  12.707  -6.756
  182   HD11  LEU  26          HD11      LEU  26  -3.359  10.303  -6.969
  183   HD12  LEU  26          HD12      LEU  26  -1.968  10.615  -8.041
  184   HD13  LEU  26          HD13      LEU  26  -3.374  11.716  -8.065
  185   HD21  LEU  26          HD21      LEU  26  -3.719  13.429  -6.152
  186   HD22  LEU  26          HD22      LEU  26  -2.813  13.205  -4.623
  187   HD23  LEU  26          HD23      LEU  26  -3.974  11.971  -5.157
  188    H    ILE  27           H        ILE  27   0.164  12.522  -2.088
  189    HA   ILE  27           HA       ILE  27  -1.201  14.828  -2.075
  190    HB   ILE  27           HB       ILE  27   0.347  15.798  -0.330
  191   HG12  ILE  27          HG12      ILE  27   2.001  13.721   0.530
  192   HG13  ILE  27          HG13      ILE  27   2.191  13.532  -1.224
  193   HG21  ILE  27          HG21      ILE  27  -0.575  12.933   0.111
  194   HG22  ILE  27          HG22      ILE  27  -0.228  14.131   1.387
  195   HG23  ILE  27          HG23      ILE  27  -1.582  14.397   0.264
  196   HD11  ILE  27          HD11      ILE  27   3.948  14.957  -0.273
  197   HD12  ILE  27          HD12      ILE  27   2.915  15.996  -1.288
  198   HD13  ILE  27          HD13      ILE  27   2.744  16.039   0.488
  199    H    GLN  28           H        GLN  28   2.312  14.853  -3.276
  200    HA   GLN  28           HA       GLN  28   1.316  17.036  -5.043
  201    HB2  GLN  28           HB2      GLN  28   3.889  17.324  -3.380
  202    HB3  GLN  28           HB3      GLN  28   3.372  18.405  -4.698
  203    HG2  GLN  28           HG2      GLN  28   1.165  18.755  -3.281
  204    HG3  GLN  28           HG3      GLN  28   2.159  18.226  -1.900
  205   HE21  GLN  28          HE21      GLN  28   4.686  19.442  -2.339
  206   HE22  GLN  28          HE22      GLN  28   4.455  21.147  -2.492
  207    H    THR  29           H        THR  29   2.072  14.062  -5.441
  208    HA   THR  29           HA       THR  29   4.379  14.476  -7.257
  209    HB   THR  29           HB       THR  29   2.729  11.954  -6.697
  210    HG1  THR  29           HG1      THR  29   5.236  12.790  -5.586
  211   HG21  THR  29          HG21      THR  29   3.872  11.819  -8.897
  212   HG22  THR  29          HG22      THR  29   4.706  10.789  -7.699
  213   HG23  THR  29          HG23      THR  29   5.407  12.366  -8.159
  214    H    LYS  30           H        LYS  30   0.728  13.875  -7.351
  215    HA   LYS  30           HA       LYS  30   0.895  14.526 -10.275
  216    HB2  LYS  30           HB2      LYS  30   0.343  12.064  -9.150
  217    HB3  LYS  30           HB3      LYS  30  -1.281  12.757  -9.129
  218    HG2  LYS  30           HG2      LYS  30   0.173  12.924 -11.804
  219    HG3  LYS  30           HG3      LYS  30  -0.165  11.292 -11.203
  220    HD2  LYS  30           HD2      LYS  30  -2.591  11.829 -10.956
  221    HD3  LYS  30           HD3      LYS  30  -2.297  13.452 -11.645
  222    HE2  LYS  30           HE2      LYS  30  -1.453  12.395 -13.764
  223    HE3  LYS  30           HE3      LYS  30  -1.675  10.773 -13.056
  224    HZ1  LYS  30           HZ1      LYS  30  -4.100  11.174 -12.892
  225    HZ2  LYS  30           HZ2      LYS  30  -3.546  11.350 -14.525
  226    HZ3  LYS  30           HZ3      LYS  30  -3.900  12.770 -13.575
  227    H    ILE  31           H        ILE  31   0.491  16.370  -7.878
  228    HA   ILE  31           HA       ILE  31  -2.128  17.464  -8.877
  229    HB   ILE  31           HB       ILE  31  -0.970  17.802  -6.057
  230   HG12  ILE  31          HG12      ILE  31  -3.339  16.133  -7.086
  231   HG13  ILE  31          HG13      ILE  31  -1.840  15.548  -6.327
  232   HG21  ILE  31          HG21      ILE  31  -2.206  19.837  -7.003
  233   HG22  ILE  31          HG22      ILE  31  -3.636  18.795  -7.240
  234   HG23  ILE  31          HG23      ILE  31  -3.006  19.129  -5.599
  235   HD11  ILE  31          HD11      ILE  31  -4.121  17.134  -4.972
  236   HD12  ILE  31          HD12      ILE  31  -3.575  15.496  -4.589
  237   HD13  ILE  31          HD13      ILE  31  -2.531  16.881  -4.197
  238    H    THR  32           H        THR  32   1.011  18.498  -7.206
  239    HA   THR  32           HA       THR  32   0.758  21.161  -8.101
  240    HB   THR  32           HB       THR  32   3.255  19.541  -7.330
  241    HG1  THR  32           HG1      THR  32   1.655  20.078  -5.591
  242   HG21  THR  32          HG21      THR  32   4.051  21.462  -8.708
  243   HG22  THR  32          HG22      THR  32   4.348  21.783  -6.982
  244   HG23  THR  32          HG23      THR  32   2.970  22.571  -7.806
  245    H    ASP  33           H        ASP  33   1.869  18.226  -9.898
  246    HA   ASP  33           HA       ASP  33   2.339  18.017 -12.138
  247    HB2  ASP  33           HB2      ASP  33   0.335  19.556 -12.426
  248    HB3  ASP  33           HB3      ASP  33   1.450  20.940 -12.555
  Start of MODEL    6
    1    H1   HIS   1           H1       HIS   1   8.078 -22.019  -8.614
    2    HA   HIS   1           HA       HIS   1   6.090 -22.916  -7.358
    3    HB2  HIS   1           HB2      HIS   1   8.072 -25.252  -7.186
    4    HB3  HIS   1           HB3      HIS   1   6.733 -25.092  -6.018
    5    HD1  HIS   1           HD1      HIS   1   4.316 -25.064  -6.970
    6    HD2  HIS   1           HD2      HIS   1   7.338 -26.158  -9.682
    7    HE1  HIS   1           HE1      HIS   1   3.125 -26.174  -8.901
    8    H    ALA   2           H        ALA   2   6.314 -21.166  -5.813
    9    HA   ALA   2           HA       ALA   2   8.770 -20.873  -4.300
   10    HB1  ALA   2           HB1      ALA   2   5.984 -19.659  -3.777
   11    HB2  ALA   2           HB2      ALA   2   7.491 -19.243  -2.911
   12    HB3  ALA   2           HB3      ALA   2   7.335 -18.905  -4.663
   13    H    ASP   3           H        ASP   3   5.366 -21.948  -3.342
   14    HA   ASP   3           HA       ASP   3   6.398 -24.179  -1.858
   15    HB2  ASP   3           HB2      ASP   3   7.264 -22.583  -0.218
   16    HB3  ASP   3           HB3      ASP   3   5.766 -21.639  -0.239
   17    H    GLY   4           H        GLY   4   3.679 -21.736  -1.347
   18    HA2  GLY   4           HA2      GLY   4   1.608 -22.949  -2.553
   19    HA3  GLY   4           HA3      GLY   4   1.806 -24.032  -1.150
   20    H    SER   5           H        SER   5   1.663 -20.431  -1.842
   21    HA   SER   5           HA       SER   5  -0.518 -20.137   0.089
   22    HB2  SER   5           HB2      SER   5   0.739 -18.693   1.679
   23    HB3  SER   5           HB3      SER   5   1.428 -20.336   1.683
   24    HG   SER   5           HG       SER   5   3.116 -19.453   0.242
   25    H    PHE   6           H        PHE   6  -0.835 -19.574  -2.437
   26    HA   PHE   6           HA       PHE   6   0.343 -17.124  -3.311
   27    HB2  PHE   6           HB2      PHE   6  -1.165 -19.004  -4.650
   28    HB3  PHE   6           HB3      PHE   6  -2.406 -17.768  -4.422
   29    HD1  PHE   6           HD1      PHE   6  -1.419 -15.235  -4.904
   30    HD2  PHE   6           HD2      PHE   6   0.091 -18.867  -6.645
   31    HE1  PHE   6           HE1      PHE   6  -0.405 -13.934  -6.744
   32    HE2  PHE   6           HE2      PHE   6   1.066 -17.571  -8.498
   33    HZ   PHE   6           HZ       PHE   6   0.840 -15.100  -8.551
   34    H    SER   7           H        SER   7  -2.884 -17.934  -1.795
   35    HA   SER   7           HA       SER   7  -4.041 -15.465  -1.770
   36    HB2  SER   7           HB2      SER   7  -5.166 -17.450  -0.775
   37    HB3  SER   7           HB3      SER   7  -3.994 -17.456   0.570
   38    HG   SER   7           HG       SER   7  -5.850 -15.315   0.052
   39    H    ASP   8           H        ASP   8  -1.569 -16.630   0.691
   40    HA   ASP   8           HA       ASP   8  -1.751 -14.403   2.371
   41    HB2  ASP   8           HB2      ASP   8  -0.384 -16.386   2.966
   42    HB3  ASP   8           HB3      ASP   8   0.795 -15.998   1.689
   43    H    GLU   9           H        GLU   9   0.448 -14.879  -0.522
   44    HA   GLU   9           HA       GLU   9   1.590 -12.267  -0.258
   45    HB2  GLU   9           HB2      GLU   9   2.634 -14.154  -1.539
   46    HB3  GLU   9           HB3      GLU   9   1.352 -14.026  -2.779
   47    HG2  GLU   9           HG2      GLU   9   2.121 -11.702  -3.339
   48    HG3  GLU   9           HG3      GLU   9   3.317 -11.760  -2.014
   49    H    MET  10           H        MET  10  -1.287 -13.553  -2.067
   50    HA   MET  10           HA       MET  10  -1.754 -11.218  -3.588
   51    HB2  MET  10           HB2      MET  10  -2.864 -13.479  -3.891
   52    HB3  MET  10           HB3      MET  10  -3.894 -13.126  -2.479
   53    HG2  MET  10           HG2      MET  10  -4.945 -11.222  -3.663
   54    HG3  MET  10           HG3      MET  10  -3.801 -11.369  -5.031
   55    HE1  MET  10           HE1      MET  10  -3.482 -14.031  -6.161
   56    HE2  MET  10           HE2      MET  10  -5.012 -14.505  -6.957
   57    HE3  MET  10           HE3      MET  10  -4.376 -12.842  -7.163
   58    H    ASN  11           H        ASN  11  -2.265 -11.791  -0.074
   59    HA   ASN  11           HA       ASN  11  -4.069  -9.471   0.119
   60    HB2  ASN  11           HB2      ASN  11  -2.534 -10.807   2.398
   61    HB3  ASN  11           HB3      ASN  11  -4.040  -9.867   2.504
   62   HD21  ASN  11          HD21      ASN  11  -5.766 -11.053   0.566
   63   HD22  ASN  11          HD22      ASN  11  -5.926 -12.729   0.918
   64    H    THR  12           H        THR  12  -0.507 -10.179   0.664
   65    HA   THR  12           HA       THR  12  -0.010  -7.673   1.912
   66    HB   THR  12           HB       THR  12   2.377  -7.942   1.149
   67    HG1  THR  12           HG1      THR  12   2.819  -9.909  -0.100
   68   HG21  THR  12          HG21      THR  12   1.616  -9.041   3.274
   69   HG22  THR  12          HG22      THR  12   2.869 -10.008   2.449
   70   HG23  THR  12          HG23      THR  12   1.160 -10.512   2.367
   71    H    ILE  13           H        ILE  13   0.084  -8.624  -1.632
   72    HA   ILE  13           HA       ILE  13   1.109  -6.156  -2.507
   73    HB   ILE  13           HB       ILE  13   0.030  -6.431  -4.683
   74   HG12  ILE  13          HG12      ILE  13  -1.593  -8.665  -3.375
   75   HG13  ILE  13          HG13      ILE  13  -2.243  -7.130  -4.014
   76   HG21  ILE  13          HG21      ILE  13   2.067  -7.852  -4.041
   77   HG22  ILE  13          HG22      ILE  13   0.958  -9.225  -3.766
   78   HG23  ILE  13          HG23      ILE  13   1.102  -8.493  -5.384
   79   HD11  ILE  13          HD11      ILE  13  -1.506  -7.828  -6.338
   80   HD12  ILE  13          HD12      ILE  13  -1.092  -9.444  -5.678
   81   HD13  ILE  13          HD13      ILE  13  -2.770  -8.862  -5.612
   82    H    LEU  14           H        LEU  14  -2.257  -6.943  -1.411
   83    HA   LEU  14           HA       LEU  14  -3.198  -4.402  -2.515
   84    HB2  LEU  14           HB2      LEU  14  -4.469  -6.664  -2.255
   85    HB3  LEU  14           HB3      LEU  14  -4.801  -6.151  -0.587
   86    HG   LEU  14           HG       LEU  14  -5.493  -4.545  -3.152
   87   HD11  LEU  14          HD11      LEU  14  -7.326  -6.358  -1.471
   88   HD12  LEU  14          HD12      LEU  14  -6.742  -6.701  -3.126
   89   HD13  LEU  14          HD13      LEU  14  -7.841  -5.329  -2.840
   90   HD21  LEU  14          HD21      LEU  14  -7.026  -3.235  -1.671
   91   HD22  LEU  14          HD22      LEU  14  -5.351  -3.105  -1.089
   92   HD23  LEU  14          HD23      LEU  14  -6.499  -4.186  -0.252
   93    H    ASP  15           H        ASP  15  -2.734  -5.783   0.879
   94    HA   ASP  15           HA       ASP  15  -3.341  -3.393   2.207
   95    HB2  ASP  15           HB2      ASP  15  -2.943  -5.543   3.413
   96    HB3  ASP  15           HB3      ASP  15  -1.213  -5.485   3.004
   97    H    ASN  16           H        ASN  16  -0.082  -4.522   1.013
   98    HA   ASN  16           HA       ASN  16   1.166  -2.099   2.052
   99    HB2  ASN  16           HB2      ASN  16   2.231  -4.382   2.011
  100    HB3  ASN  16           HB3      ASN  16   2.378  -4.256   0.236
  101   HD21  ASN  16          HD21      ASN  16   4.681  -4.650   1.862
  102   HD22  ASN  16          HD22      ASN  16   5.621  -3.205   1.824
  103    H    LEU  17           H        LEU  17   0.228  -3.362  -1.268
  104    HA   LEU  17           HA       LEU  17   1.430  -0.865  -2.398
  105    HB2  LEU  17           HB2      LEU  17   1.966  -3.490  -2.993
  106    HB3  LEU  17           HB3      LEU  17   0.722  -3.173  -4.213
  107    HG   LEU  17           HG       LEU  17   3.335  -1.594  -3.767
  108   HD11  LEU  17          HD11      LEU  17   4.073  -2.639  -5.907
  109   HD12  LEU  17          HD12      LEU  17   2.532  -3.533  -6.026
  110   HD13  LEU  17          HD13      LEU  17   3.680  -3.897  -4.708
  111   HD21  LEU  17          HD21      LEU  17   2.802  -0.434  -5.924
  112   HD22  LEU  17          HD22      LEU  17   1.550  -0.080  -4.710
  113   HD23  LEU  17          HD23      LEU  17   1.224  -1.271  -6.001
  114    H    ALA  18           H        ALA  18  -0.893  -0.280  -1.157
  115    HA   ALA  18           HA       ALA  18  -2.384   0.676  -3.455
  116    HB1  ALA  18           HB1      ALA  18  -3.459  -1.642  -3.132
  117    HB2  ALA  18           HB2      ALA  18  -4.019  -1.079  -1.531
  118    HB3  ALA  18           HB3      ALA  18  -4.583  -0.258  -3.000
  119    H    ALA  19           H        ALA  19  -2.798   0.140   0.195
  120    HA   ALA  19           HA       ALA  19  -4.110   2.552   0.716
  121    HB1  ALA  19           HB1      ALA  19  -1.826   1.274   2.367
  122    HB2  ALA  19           HB2      ALA  19  -2.961   2.523   2.965
  123    HB3  ALA  19           HB3      ALA  19  -3.569   0.898   2.527
  124    H    ARG  20           H        ARG  20  -0.582   1.909   0.034
  125    HA   ARG  20           HA       ARG  20   0.505   4.306   0.654
  126    HB2  ARG  20           HB2      ARG  20   1.780   2.431  -0.466
  127    HB3  ARG  20           HB3      ARG  20   1.006   2.863  -2.014
  128    HG2  ARG  20           HG2      ARG  20   2.053   5.195  -1.789
  129    HG3  ARG  20           HG3      ARG  20   2.884   4.651  -0.312
  130    HD2  ARG  20           HD2      ARG  20   4.133   2.962  -1.604
  131    HD3  ARG  20           HD3      ARG  20   3.210   3.391  -3.091
  132    HE   ARG  20           HE       ARG  20   4.429   5.776  -2.084
  133   HH11  ARG  20          HH12      ARG  20   5.387   2.650  -3.599
  134   HH12  ARG  20          HH11      ARG  20   6.798   3.374  -4.360
  135   HH21  ARG  20          HH22      ARG  20   6.253   6.607  -3.103
  136   HH22  ARG  20          HH21      ARG  20   7.285   5.566  -4.087
  137    H    ASP  21           H        ASP  21  -1.535   3.615  -2.335
  138    HA   ASP  21           HA       ASP  21  -1.278   6.378  -3.246
  139    HB2  ASP  21           HB2      ASP  21  -3.265   4.239  -4.127
  140    HB3  ASP  21           HB3      ASP  21  -2.902   5.771  -4.971
  141    H    PHE  22           H        PHE  22  -1.861   7.013  -0.800
  142    HA   PHE  22           HA       PHE  22  -4.049   8.621  -1.007
  143    HB2  PHE  22           HB2      PHE  22  -4.931   5.921  -0.046
  144    HB3  PHE  22           HB3      PHE  22  -5.424   7.250   1.016
  145    HD1  PHE  22           HD1      PHE  22  -6.263   9.466  -0.170
  146    HD2  PHE  22           HD2      PHE  22  -6.629   5.493  -1.784
  147    HE1  PHE  22           HE1      PHE  22  -8.047  10.246  -1.691
  148    HE2  PHE  22           HE2      PHE  22  -8.413   6.281  -3.301
  149    HZ   PHE  22           HZ       PHE  22  -9.118   8.659  -3.273
  150    H    ILE  23           H        ILE  23  -2.860  10.194   0.192
  151    HA   ILE  23           HA       ILE  23  -1.718  11.118   1.941
  152    HB   ILE  23           HB       ILE  23  -2.872   8.977   3.774
  153   HG12  ILE  23          HG12      ILE  23  -4.771   9.718   2.380
  154   HG13  ILE  23          HG13      ILE  23  -4.929  10.293   4.044
  155   HG21  ILE  23          HG21      ILE  23  -1.307  10.513   4.922
  156   HG22  ILE  23          HG22      ILE  23  -2.142  11.932   4.253
  157   HG23  ILE  23          HG23      ILE  23  -2.965  10.873   5.428
  158   HD11  ILE  23          HD11      ILE  23  -5.605  12.032   2.383
  159   HD12  ILE  23          HD12      ILE  23  -4.235  12.603   3.357
  160   HD13  ILE  23          HD13      ILE  23  -3.971  12.041   1.680
  161    H    ASN  24           H        ASN  24  -0.399   9.194   0.189
  162    HA   ASN  24           HA       ASN  24   1.945   9.222   1.844
  163    HB2  ASN  24           HB2      ASN  24   1.499   6.442   0.726
  164    HB3  ASN  24           HB3      ASN  24   2.713   6.990   1.868
  165   HD21  ASN  24          HD21      ASN  24  -0.883   6.440   1.460
  166   HD22  ASN  24          HD22      ASN  24  -1.162   6.098   3.123
  167    H    TRP  25           H        TRP  25   0.746   7.608  -1.272
  168    HA   TRP  25           HA       TRP  25   3.224   8.135  -2.548
  169    HB2  TRP  25           HB2      TRP  25   2.394   7.174  -4.431
  170    HB3  TRP  25           HB3      TRP  25   1.081   6.628  -3.397
  171    HD1  TRP  25           HD1      TRP  25   1.552   7.899  -6.648
  172    HE1  TRP  25           HE1      TRP  25  -0.400   9.158  -7.582
  173    HE3  TRP  25           HE3      TRP  25  -1.115   8.818  -2.266
  174    HZ2  TRP  25           HZ2      TRP  25  -2.677  10.390  -6.761
  175    HZ3  TRP  25           HZ3      TRP  25  -3.142  10.260  -2.474
  176    HH2  TRP  25           HH2      TRP  25  -3.966  10.963  -4.690
  177    H    LEU  26           H        LEU  26   0.617  10.340  -1.716
  178    HA   LEU  26           HA       LEU  26   1.649  12.324  -3.682
  179    HB2  LEU  26           HB2      LEU  26  -0.733  11.896  -3.770
  180    HB3  LEU  26           HB3      LEU  26  -0.916  12.154  -2.014
  181    HG   LEU  26           HG       LEU  26  -0.340  14.564  -2.283
  182   HD11  LEU  26          HD11      LEU  26  -0.163  13.911  -5.294
  183   HD12  LEU  26          HD12      LEU  26   1.149  14.564  -4.265
  184   HD13  LEU  26          HD13      LEU  26  -0.272  15.564  -4.626
  185   HD21  LEU  26          HD21      LEU  26  -2.458  15.225  -3.460
  186   HD22  LEU  26          HD22      LEU  26  -2.739  13.795  -2.436
  187   HD23  LEU  26          HD23      LEU  26  -2.570  13.605  -4.204
  188    H    ILE  27           H        ILE  27   0.896  11.929  -0.056
  189    HA   ILE  27           HA       ILE  27   2.232  14.516   0.329
  190    HB   ILE  27           HB       ILE  27   0.011  13.636   1.456
  191   HG12  ILE  27          HG12      ILE  27   0.570  14.933   3.626
  192   HG13  ILE  27          HG13      ILE  27   2.188  15.206   2.936
  193   HG21  ILE  27          HG21      ILE  27   0.209  12.436   3.543
  194   HG22  ILE  27          HG22      ILE  27   1.213  11.518   2.396
  195   HG23  ILE  27          HG23      ILE  27   1.967  12.640   3.569
  196   HD11  ILE  27          HD11      ILE  27   1.062  16.425   0.976
  197   HD12  ILE  27          HD12      ILE  27  -0.527  16.049   1.698
  198   HD13  ILE  27          HD13      ILE  27   0.612  17.127   2.548
  199    H    GLN  28           H        GLN  28   3.160  11.084   0.663
  200    HA   GLN  28           HA       GLN  28   5.714  11.978   2.013
  201    HB2  GLN  28           HB2      GLN  28   4.342   9.250   1.937
  202    HB3  GLN  28           HB3      GLN  28   5.960   9.525   2.607
  203    HG2  GLN  28           HG2      GLN  28   5.161  10.581   4.550
  204    HG3  GLN  28           HG3      GLN  28   3.780  11.286   3.700
  205   HE21  GLN  28          HE21      GLN  28   2.252  10.607   5.417
  206   HE22  GLN  28          HE22      GLN  28   1.843   8.940   5.576
  207    H    THR  29           H        THR  29   6.178  12.754  -0.355
  208    HA   THR  29           HA       THR  29   7.633  10.519  -1.624
  209    HB   THR  29           HB       THR  29   6.411  11.736  -3.886
  210    HG1  THR  29           HG1      THR  29   4.681  12.587  -2.473
  211   HG21  THR  29          HG21      THR  29   5.568   9.125  -2.509
  212   HG22  THR  29          HG22      THR  29   6.947   9.300  -3.639
  213   HG23  THR  29          HG23      THR  29   5.283   9.565  -4.215
  214    H    LYS  30           H        LYS  30   6.734  13.961  -2.567
  215    HA   LYS  30           HA       LYS  30   9.709  14.516  -2.491
  216    HB2  LYS  30           HB2      LYS  30   7.545  15.404  -4.492
  217    HB3  LYS  30           HB3      LYS  30   9.166  16.144  -4.382
  218    HG2  LYS  30           HG2      LYS  30  10.273  14.041  -4.930
  219    HG3  LYS  30           HG3      LYS  30   8.722  13.157  -4.962
  220    HD2  LYS  30           HD2      LYS  30   7.979  14.274  -6.969
  221    HD3  LYS  30           HD3      LYS  30   9.146  15.605  -6.777
  222    HE2  LYS  30           HE2      LYS  30   9.828  14.156  -8.634
  223    HE3  LYS  30           HE3      LYS  30  11.045  14.153  -7.333
  224    HZ1  LYS  30           HZ1      LYS  30   8.977  11.979  -7.803
  225    HZ2  LYS  30           HZ2      LYS  30  10.234  11.946  -6.586
  226    HZ3  LYS  30           HZ3      LYS  30  10.656  11.906  -8.264
  227    H    ILE  31           H        ILE  31   7.821  14.749  -0.252
  228    HA   ILE  31           HA       ILE  31   7.829  17.744   0.036
  229    HB   ILE  31           HB       ILE  31   5.526  15.807   0.550
  230   HG12  ILE  31          HG12      ILE  31   5.221  18.339  -1.119
  231   HG13  ILE  31          HG13      ILE  31   6.014  16.948  -1.875
  232   HG21  ILE  31          HG21      ILE  31   5.765  18.778   1.309
  233   HG22  ILE  31          HG22      ILE  31   4.261  17.818   1.417
  234   HG23  ILE  31          HG23      ILE  31   5.652  17.406   2.446
  235   HD11  ILE  31          HD11      ILE  31   4.168  15.463  -1.398
  236   HD12  ILE  31          HD12      ILE  31   3.233  16.770  -0.608
  237   HD13  ILE  31          HD13      ILE  31   3.604  16.859  -2.356
  238    H    THR  32           H        THR  32   6.969  14.694   1.971
  239    HA   THR  32           HA       THR  32   7.924  15.776   4.383
  240    HB   THR  32           HB       THR  32   7.902  12.845   3.437
  241    HG1  THR  32           HG1      THR  32   5.760  13.005   4.502
  242   HG21  THR  32          HG21      THR  32   7.965  14.032   6.290
  243   HG22  THR  32          HG22      THR  32   9.302  13.123   5.515
  244   HG23  THR  32          HG23      THR  32   7.764  12.301   5.890
  245    H    ASP  33           H        ASP  33   9.653  13.898   1.752
  246    HA   ASP  33           HA       ASP  33  12.254  14.624   3.105
  247    HB2  ASP  33           HB2      ASP  33  11.788  12.165   2.791
  248    HB3  ASP  33           HB3      ASP  33  11.641  12.433   1.034
  Start of MODEL    7
    1    H1   HIS   1           H1       HIS   1   3.879 -25.284  -0.287
    2    HA   HIS   1           HA       HIS   1   3.874 -22.385  -0.963
    3    HB2  HIS   1           HB2      HIS   1   6.225 -24.202  -0.103
    4    HB3  HIS   1           HB3      HIS   1   6.461 -22.549  -0.724
    5    HD1  HIS   1           HD1      HIS   1   4.972 -20.673   0.587
    6    HD2  HIS   1           HD2      HIS   1   5.919 -24.252   2.584
    7    HE1  HIS   1           HE1      HIS   1   4.698 -20.174   3.052
    8    H    ALA   2           H        ALA   2   5.481 -21.888  -2.866
    9    HA   ALA   2           HA       ALA   2   5.979 -22.207  -5.097
   10    HB1  ALA   2           HB1      ALA   2   7.482 -23.967  -4.229
   11    HB2  ALA   2           HB2      ALA   2   6.185 -25.188  -4.365
   12    HB3  ALA   2           HB3      ALA   2   6.803 -24.382  -5.832
   13    H    ASP   3           H        ASP   3   3.778 -21.374  -5.516
   14    HA   ASP   3           HA       ASP   3   1.894 -21.506  -6.798
   15    HB2  ASP   3           HB2      ASP   3   3.401 -23.452  -7.975
   16    HB3  ASP   3           HB3      ASP   3   2.073 -24.474  -7.381
   17    H    GLY   4           H        GLY   4   2.192 -22.649  -3.728
   18    HA2  GLY   4           HA2      GLY   4  -0.771 -23.124  -3.654
   19    HA3  GLY   4           HA3      GLY   4   0.372 -24.211  -2.814
   20    H    SER   5           H        SER   5   0.898 -20.632  -3.190
   21    HA   SER   5           HA       SER   5  -0.309 -20.072  -0.555
   22    HB2  SER   5           HB2      SER   5   1.913 -21.073   0.056
   23    HB3  SER   5           HB3      SER   5   2.740 -19.896  -1.002
   24    HG   SER   5           HG       SER   5   1.848 -18.241   0.490
   25    H    PHE   6           H        PHE   6  -1.101 -19.151  -3.063
   26    HA   PHE   6           HA       PHE   6   0.272 -16.629  -3.608
   27    HB2  PHE   6           HB2      PHE   6  -1.463 -16.204  -5.271
   28    HB3  PHE   6           HB3      PHE   6  -0.844 -17.859  -5.451
   29    HD1  PHE   6           HD2      PHE   6  -3.709 -15.787  -4.210
   30    HD2  PHE   6           HD1      PHE   6  -2.370 -19.772  -5.143
   31    HE1  PHE   6           HE2      PHE   6  -6.016 -16.627  -3.937
   32    HE2  PHE   6           HE1      PHE   6  -4.674 -20.609  -4.857
   33    HZ   PHE   6           HZ       PHE   6  -6.507 -19.044  -4.253
   34    H    SER   7           H        SER   7  -2.689 -17.706  -1.755
   35    HA   SER   7           HA       SER   7  -3.973 -15.311  -1.469
   36    HB2  SER   7           HB2      SER   7  -4.803 -17.378  -0.402
   37    HB3  SER   7           HB3      SER   7  -3.449 -17.347   0.772
   38    HG   SER   7           HG       SER   7  -5.412 -16.289   1.637
   39    H    ASP   8           H        ASP   8  -1.068 -16.384   0.516
   40    HA   ASP   8           HA       ASP   8  -1.050 -14.169   2.245
   41    HB2  ASP   8           HB2      ASP   8   1.377 -15.666   1.077
   42    HB3  ASP   8           HB3      ASP   8   1.448 -14.498   2.421
   43    H    GLU   9           H        GLU   9   0.574 -14.516  -1.017
   44    HA   GLU   9           HA       GLU   9   1.640 -11.865  -0.897
   45    HB2  GLU   9           HB2      GLU   9   2.363 -13.826  -2.477
   46    HB3  GLU   9           HB3      GLU   9   0.972 -13.373  -3.491
   47    HG2  GLU   9           HG2      GLU   9   3.025 -12.286  -4.348
   48    HG3  GLU   9           HG3      GLU   9   1.970 -11.019  -3.669
   49    H    MET  10           H        MET  10  -1.462 -13.257  -2.144
   50    HA   MET  10           HA       MET  10  -2.340 -10.957  -3.524
   51    HB2  MET  10           HB2      MET  10  -3.371 -13.315  -3.575
   52    HB3  MET  10           HB3      MET  10  -4.151 -12.921  -2.014
   53    HG2  MET  10           HG2      MET  10  -5.380 -11.016  -3.158
   54    HG3  MET  10           HG3      MET  10  -4.551 -11.429  -4.696
   55    HE1  MET  10           HE1      MET  10  -7.712 -11.261  -4.422
   56    HE2  MET  10           HE2      MET  10  -6.918 -11.779  -5.948
   57    HE3  MET  10           HE3      MET  10  -8.249 -12.759  -5.250
   58    H    ASN  11           H        ASN  11  -2.117 -11.569   0.019
   59    HA   ASN  11           HA       ASN  11  -3.990  -9.357   0.591
   60    HB2  ASN  11           HB2      ASN  11  -2.040 -10.671   2.537
   61    HB3  ASN  11           HB3      ASN  11  -3.570  -9.839   2.913
   62   HD21  ASN  11          HD21      ASN  11  -5.460 -11.119   1.123
   63   HD22  ASN  11          HD22      ASN  11  -5.459 -12.804   1.469
   64    H    THR  12           H        THR  12  -0.355  -9.902   0.524
   65    HA   THR  12           HA       THR  12   0.236  -7.388   1.700
   66    HB   THR  12           HB       THR  12   2.449  -7.520   0.483
   67    HG1  THR  12           HG1      THR  12   2.731  -9.448  -0.866
   68   HG21  THR  12          HG21      THR  12   3.285  -9.578   1.617
   69   HG22  THR  12          HG22      THR  12   1.617 -10.157   1.872
   70   HG23  THR  12          HG23      THR  12   2.185  -8.672   2.694
   71    H    ILE  13           H        ILE  13  -0.414  -8.284  -1.799
   72    HA   ILE  13           HA       ILE  13   0.353  -5.755  -2.786
   73    HB   ILE  13           HB       ILE  13  -1.089  -6.037  -4.734
   74   HG12  ILE  13          HG12      ILE  13  -2.234  -8.471  -3.272
   75   HG13  ILE  13          HG13      ILE  13  -3.127  -6.980  -3.670
   76   HG21  ILE  13          HG21      ILE  13   1.145  -7.265  -4.524
   77   HG22  ILE  13          HG22      ILE  13   0.250  -8.743  -4.069
   78   HG23  ILE  13          HG23      ILE  13   0.020  -8.008  -5.677
   79   HD11  ILE  13          HD11      ILE  13  -2.117  -9.095  -5.664
   80   HD12  ILE  13          HD12      ILE  13  -3.795  -8.687  -5.235
   81   HD13  ILE  13          HD13      ILE  13  -2.799  -7.500  -6.133
   82    H    LEU  14           H        LEU  14  -2.793  -6.686  -1.176
   83    HA   LEU  14           HA       LEU  14  -3.869  -4.018  -1.756
   84    HB2  LEU  14           HB2      LEU  14  -4.896  -6.402  -0.202
   85    HB3  LEU  14           HB3      LEU  14  -5.287  -4.820   0.488
   86    HG   LEU  14           HG       LEU  14  -6.312  -4.061  -1.637
   87   HD11  LEU  14          HD11      LEU  14  -6.781  -5.710  -3.483
   88   HD12  LEU  14          HD12      LEU  14  -5.753  -6.922  -2.662
   89   HD13  LEU  14          HD13      LEU  14  -5.036  -5.418  -3.314
   90   HD21  LEU  14          HD21      LEU  14  -7.727  -5.162   0.119
   91   HD22  LEU  14          HD22      LEU  14  -7.446  -6.751  -0.654
   92   HD23  LEU  14          HD23      LEU  14  -8.355  -5.479  -1.520
   93    H    ASP  15           H        ASP  15  -2.560  -5.591   1.293
   94    HA   ASP  15           HA       ASP  15  -2.850  -3.264   2.806
   95    HB2  ASP  15           HB2      ASP  15  -2.207  -5.533   3.709
   96    HB3  ASP  15           HB3      ASP  15  -0.538  -5.275   3.139
   97    H    ASN  16           H        ASN  16   0.096  -4.317   0.938
   98    HA   ASN  16           HA       ASN  16   1.428  -1.795   1.653
   99    HB2  ASN  16           HB2      ASN  16   2.490  -4.119   1.658
  100    HB3  ASN  16           HB3      ASN  16   2.477  -4.061  -0.128
  101   HD21  ASN  16          HD21      ASN  16   4.918  -4.426   1.174
  102   HD22  ASN  16          HD22      ASN  16   5.843  -2.971   1.091
  103    H    LEU  17           H        LEU  17  -0.466  -2.983  -1.200
  104    HA   LEU  17           HA       LEU  17   0.577  -0.563  -2.633
  105    HB2  LEU  17           HB2      LEU  17   1.046  -3.207  -3.388
  106    HB3  LEU  17           HB3      LEU  17  -0.388  -2.828  -4.352
  107    HG   LEU  17           HG       LEU  17   2.313  -1.348  -4.338
  108   HD11  LEU  17          HD11      LEU  17   2.516  -2.198  -6.668
  109   HD12  LEU  17          HD12      LEU  17   0.894  -2.940  -6.564
  110   HD13  LEU  17          HD13      LEU  17   2.235  -3.565  -5.558
  111   HD21  LEU  17          HD21      LEU  17   0.624   0.413  -4.751
  112   HD22  LEU  17          HD22      LEU  17  -0.258  -0.632  -5.902
  113   HD23  LEU  17          HD23      LEU  17   1.364   0.000  -6.305
  114    H    ALA  18           H        ALA  18  -1.528  -0.389  -0.825
  115    HA   ALA  18           HA       ALA  18  -3.391   0.764  -2.794
  116    HB1  ALA  18           HB1      ALA  18  -4.414  -1.510  -2.355
  117    HB2  ALA  18           HB2      ALA  18  -4.594  -1.076  -0.630
  118    HB3  ALA  18           HB3      ALA  18  -5.449  -0.132  -1.872
  119    H    ALA  19           H        ALA  19  -3.118   0.151   0.858
  120    HA   ALA  19           HA       ALA  19  -3.959   2.920   1.292
  121    HB1  ALA  19           HB1      ALA  19  -3.631   2.425   3.691
  122    HB2  ALA  19           HB2      ALA  19  -4.542   1.100   2.910
  123    HB3  ALA  19           HB3      ALA  19  -2.804   0.889   3.287
  124    H    ARG  20           H        ARG  20  -0.948   1.770   0.112
  125    HA   ARG  20           HA       ARG  20   0.419   4.047   1.471
  126    HB2  ARG  20           HB2      ARG  20   1.412   1.479   0.199
  127    HB3  ARG  20           HB3      ARG  20   2.492   2.881   0.222
  128    HG2  ARG  20           HG2      ARG  20   1.095   1.979   2.781
  129    HG3  ARG  20           HG3      ARG  20   2.613   1.203   2.272
  130    HD2  ARG  20           HD2      ARG  20   3.918   3.189   2.486
  131    HD3  ARG  20           HD3      ARG  20   2.482   4.242   2.404
  132    HE   ARG  20           HE       ARG  20   2.321   2.616   4.765
  133   HH11  ARG  20          HH12      ARG  20   4.116   5.439   3.403
  134   HH12  ARG  20          HH11      ARG  20   4.276   6.182   4.987
  135   HH21  ARG  20          HH22      ARG  20   2.604   3.651   6.742
  136   HH22  ARG  20          HH21      ARG  20   3.463   5.189   6.840
  137    H    ASP  21           H        ASP  21  -0.875   3.072  -1.763
  138    HA   ASP  21           HA       ASP  21   0.548   5.487  -2.865
  139    HB2  ASP  21           HB2      ASP  21   0.205   4.458  -5.062
  140    HB3  ASP  21           HB3      ASP  21   1.116   3.357  -3.995
  141    H    PHE  22           H        PHE  22  -1.404   6.230  -1.236
  142    HA   PHE  22           HA       PHE  22  -3.475   7.161  -3.138
  143    HB2  PHE  22           HB2      PHE  22  -4.062   4.922  -1.594
  144    HB3  PHE  22           HB3      PHE  22  -4.756   6.217  -0.604
  145    HD1  PHE  22           HD1      PHE  22  -5.990   8.141  -2.139
  146    HD2  PHE  22           HD2      PHE  22  -5.560   3.989  -3.209
  147    HE1  PHE  22           HE1      PHE  22  -7.930   8.327  -3.669
  148    HE2  PHE  22           HE2      PHE  22  -7.501   4.180  -4.722
  149    HZ   PHE  22           HZ       PHE  22  -8.691   6.348  -4.963
  150    H    ILE  23           H        ILE  23  -2.798   7.167   0.472
  151    HA   ILE  23           HA       ILE  23  -2.309  10.089   0.217
  152    HB   ILE  23           HB       ILE  23  -3.740  10.398   2.348
  153   HG12  ILE  23          HG12      ILE  23  -5.696   8.834   2.627
  154   HG13  ILE  23          HG13      ILE  23  -4.893   7.646   1.592
  155   HG21  ILE  23          HG21      ILE  23  -5.284   9.546  -0.165
  156   HG22  ILE  23          HG22      ILE  23  -5.824  10.698   1.080
  157   HG23  ILE  23          HG23      ILE  23  -4.477  11.127   0.006
  158   HD11  ILE  23          HD11      ILE  23  -4.586   7.151   4.034
  159   HD12  ILE  23          HD12      ILE  23  -3.011   7.538   3.311
  160   HD13  ILE  23          HD13      ILE  23  -3.849   8.756   4.304
  161    H    ASN  24           H        ASN  24  -0.225   8.347   0.214
  162    HA   ASN  24           HA       ASN  24   1.055   9.327   2.696
  163    HB2  ASN  24           HB2      ASN  24   1.449   6.369   2.053
  164    HB3  ASN  24           HB3      ASN  24   1.722   7.215   3.588
  165   HD21  ASN  24          HD21      ASN  24  -0.781   6.083   1.211
  166   HD22  ASN  24          HD22      ASN  24  -1.960   5.681   2.390
  167    H    TRP  25           H        TRP  25   1.517  10.334   0.223
  168    HA   TRP  25           HA       TRP  25   4.160   9.820  -0.526
  169    HB2  TRP  25           HB2      TRP  25   4.214   7.787  -1.555
  170    HB3  TRP  25           HB3      TRP  25   2.470   7.562  -1.319
  171    HD1  TRP  25           HD1      TRP  25   4.961   8.444  -4.043
  172    HE1  TRP  25           HE1      TRP  25   3.746   8.441  -6.248
  173    HE3  TRP  25           HE3      TRP  25   0.060   8.047  -2.344
  174    HZ2  TRP  25           HZ2      TRP  25   1.176   8.314  -7.229
  175    HZ3  TRP  25           HZ3      TRP  25  -1.744   8.338  -4.060
  176    HH2  TRP  25           HH2      TRP  25  -1.208   8.304  -6.460
  177    H    LEU  26           H        LEU  26   0.838  10.304  -1.999
  178    HA   LEU  26           HA       LEU  26   1.980  12.553  -3.587
  179    HB2  LEU  26           HB2      LEU  26   0.477  10.668  -4.571
  180    HB3  LEU  26           HB3      LEU  26  -0.842  11.375  -3.620
  181    HG   LEU  26           HG       LEU  26  -0.191  13.609  -4.980
  182   HD11  LEU  26          HD11      LEU  26   1.054  11.461  -6.819
  183   HD12  LEU  26          HD12      LEU  26   1.991  12.700  -5.942
  184   HD13  LEU  26          HD13      LEU  26   0.834  13.191  -7.201
  185   HD21  LEU  26          HD21      LEU  26  -1.507  11.198  -6.371
  186   HD22  LEU  26          HD22      LEU  26  -1.659  12.902  -6.889
  187   HD23  LEU  26          HD23      LEU  26  -2.327  12.388  -5.319
  188    H    ILE  27           H        ILE  27   0.027  11.960  -0.548
  189    HA   ILE  27           HA       ILE  27  -0.716  14.833  -0.692
  190    HB   ILE  27           HB       ILE  27  -2.399  12.686  -0.532
  191   HG12  ILE  27          HG12      ILE  27  -3.067  14.957  -1.170
  192   HG13  ILE  27          HG13      ILE  27  -4.202  14.232  -0.019
  193   HG21  ILE  27          HG21      ILE  27  -3.419  12.700   1.764
  194   HG22  ILE  27          HG22      ILE  27  -1.769  12.016   1.751
  195   HG23  ILE  27          HG23      ILE  27  -2.058  13.675   2.350
  196   HD11  ILE  27          HD11      ILE  27  -2.055  16.324   0.750
  197   HD12  ILE  27          HD12      ILE  27  -3.785  16.643   0.489
  198   HD13  ILE  27          HD13      ILE  27  -3.276  15.627   1.854
  199    H    GLN  28           H        GLN  28   0.638  12.308   1.740
  200    HA   GLN  28           HA       GLN  28   1.426  14.740   3.334
  201    HB2  GLN  28           HB2      GLN  28   1.211  11.852   4.355
  202    HB3  GLN  28           HB3      GLN  28   1.605  13.337   5.263
  203    HG2  GLN  28           HG2      GLN  28  -0.794  14.172   4.452
  204    HG3  GLN  28           HG3      GLN  28  -1.089  12.437   4.141
  205   HE21  GLN  28          HE21      GLN  28  -0.305  14.860   6.732
  206   HE22  GLN  28          HE22      GLN  28  -0.789  13.830   8.026
  207    H    THR  29           H        THR  29   3.047  14.319   1.083
  208    HA   THR  29           HA       THR  29   5.528  13.701   2.568
  209    HB   THR  29           HB       THR  29   4.635  12.098   0.134
  210    HG1  THR  29           HG1      THR  29   4.946  10.357   1.757
  211   HG21  THR  29          HG21      THR  29   7.097  12.701  -0.102
  212   HG22  THR  29          HG22      THR  29   6.903  10.973   0.277
  213   HG23  THR  29          HG23      THR  29   7.379  12.117   1.564
  214    H    LYS  30           H        LYS  30   4.616  14.187  -0.998
  215    HA   LYS  30           HA       LYS  30   6.859  16.136  -1.061
  216    HB2  LYS  30           HB2      LYS  30   5.043  15.208  -3.353
  217    HB3  LYS  30           HB3      LYS  30   6.548  16.161  -3.463
  218    HG2  LYS  30           HG2      LYS  30   7.767  14.149  -2.360
  219    HG3  LYS  30           HG3      LYS  30   6.259  13.224  -2.582
  220    HD2  LYS  30           HD2      LYS  30   6.413  13.780  -5.108
  221    HD3  LYS  30           HD3      LYS  30   7.982  14.554  -4.762
  222    HE2  LYS  30           HE2      LYS  30   8.567  12.385  -5.556
  223    HE3  LYS  30           HE3      LYS  30   8.757  12.263  -3.790
  224    HZ1  LYS  30           HZ1      LYS  30   7.619  10.301  -4.745
  225    HZ2  LYS  30           HZ2      LYS  30   6.382  11.295  -5.434
  226    HZ3  LYS  30           HZ3      LYS  30   6.512  11.129  -3.703
  227    H    ILE  31           H        ILE  31   3.574  16.393  -0.106
  228    HA   ILE  31           HA       ILE  31   3.211  18.983  -1.548
  229    HB   ILE  31           HB       ILE  31   1.199  17.516   0.218
  230   HG12  ILE  31          HG12      ILE  31   1.672  15.922  -1.482
  231   HG13  ILE  31          HG13      ILE  31   0.139  16.728  -1.914
  232   HG21  ILE  31          HG21      ILE  31   0.749  19.919  -0.107
  233   HG22  ILE  31          HG22      ILE  31   0.820  19.729  -1.880
  234   HG23  ILE  31          HG23      ILE  31  -0.467  18.919  -0.941
  235   HD11  ILE  31          HD11      ILE  31   2.887  17.217  -3.237
  236   HD12  ILE  31          HD12      ILE  31   1.483  16.386  -3.944
  237   HD13  ILE  31          HD13      ILE  31   1.401  18.137  -3.625
  238    H    THR  32           H        THR  32   2.933  17.569   1.868
  239    HA   THR  32           HA       THR  32   2.724  20.078   3.100
  240    HB   THR  32           HB       THR  32   4.175  17.580   4.178
  241    HG1  THR  32           HG1      THR  32   1.965  17.075   4.901
  242   HG21  THR  32          HG21      THR  32   2.744  19.906   5.641
  243   HG22  THR  32          HG22      THR  32   4.516  19.648   5.608
  244   HG23  THR  32          HG23      THR  32   3.457  18.468   6.428
  245    H    ASP  33           H        ASP  33   5.666  18.137   2.094
  246    HA   ASP  33           HA       ASP  33   7.449  20.352   2.941
  247    HB2  ASP  33           HB2      ASP  33   8.060  17.785   1.363
  248    HB3  ASP  33           HB3      ASP  33   9.248  18.949   2.010
  Start of MODEL    8
    1    H1   HIS   1           H1       HIS   1   7.853 -16.023  -6.359
    2    HA   HIS   1           HA       HIS   1   8.040 -18.505  -6.214
    3    HB2  HIS   1           HB2      HIS   1   8.595 -19.455  -3.942
    4    HB3  HIS   1           HB3      HIS   1   9.921 -18.440  -4.561
    5    HD1  HIS   1           HD1      HIS   1  10.035 -15.983  -3.576
    6    HD2  HIS   1           HD2      HIS   1   7.427 -18.652  -1.635
    7    HE1  HIS   1           HE1      HIS   1   9.529 -14.931  -1.337
    8    H    ALA   2           H        ALA   2   6.393 -19.917  -4.904
    9    HA   ALA   2           HA       ALA   2   4.242 -18.308  -3.623
   10    HB1  ALA   2           HB1      ALA   2   2.520 -19.209  -5.206
   11    HB2  ALA   2           HB2      ALA   2   3.706 -18.163  -6.041
   12    HB3  ALA   2           HB3      ALA   2   3.806 -19.934  -6.214
   13    H    ASP   3           H        ASP   3   4.900 -21.707  -4.971
   14    HA   ASP   3           HA       ASP   3   4.717 -23.714  -3.879
   15    HB2  ASP   3           HB2      ASP   3   6.238 -22.175  -2.250
   16    HB3  ASP   3           HB3      ASP   3   4.869 -22.365  -1.140
   17    H    GLY   4           H        GLY   4   2.334 -22.504  -4.799
   18    HA2  GLY   4           HA2      GLY   4   0.046 -22.803  -4.543
   19    HA3  GLY   4           HA3      GLY   4   0.454 -24.065  -3.362
   20    H    SER   5           H        SER   5   1.242 -20.466  -3.162
   21    HA   SER   5           HA       SER   5  -1.066 -20.107  -1.332
   22    HB2  SER   5           HB2      SER   5   0.317 -19.230   0.495
   23    HB3  SER   5           HB3      SER   5   0.814 -20.918   0.144
   24    HG   SER   5           HG       SER   5   2.698 -19.437   0.265
   25    H    PHE   6           H        PHE   6  -1.019 -19.169  -3.862
   26    HA   PHE   6           HA       PHE   6   0.226 -16.645  -4.167
   27    HB2  PHE   6           HB2      PHE   6  -1.428 -16.127  -5.893
   28    HB3  PHE   6           HB3      PHE   6  -0.947 -17.827  -6.059
   29    HD1  PHE   6           HD1      PHE   6  -3.647 -15.503  -4.926
   30    HD2  PHE   6           HD2      PHE   6  -2.634 -19.618  -5.692
   31    HE1  PHE   6           HE1      PHE   6  -6.007 -16.150  -4.584
   32    HE2  PHE   6           HE2      PHE   6  -4.994 -20.258  -5.350
   33    HZ   PHE   6           HZ       PHE   6  -6.687 -18.532  -4.785
   34    H    SER   7           H        SER   7  -2.846 -17.626  -2.457
   35    HA   SER   7           HA       SER   7  -4.029 -15.165  -2.154
   36    HB2  SER   7           HB2      SER   7  -5.030 -17.212  -1.199
   37    HB3  SER   7           HB3      SER   7  -3.721 -17.317   0.022
   38    HG   SER   7           HG       SER   7  -5.638 -16.165   0.872
   39    H    ASP   8           H        ASP   8  -1.294 -16.505  -0.094
   40    HA   ASP   8           HA       ASP   8  -1.189 -14.428   1.750
   41    HB2  ASP   8           HB2      ASP   8   0.309 -16.400   1.928
   42    HB3  ASP   8           HB3      ASP   8   1.186 -15.906   0.456
   43    H    GLU   9           H        GLU   9   0.413 -14.562  -1.543
   44    HA   GLU   9           HA       GLU   9   1.554 -11.929  -1.192
   45    HB2  GLU   9           HB2      GLU   9   1.056 -13.481  -3.795
   46    HB3  GLU   9           HB3      GLU   9   2.020 -11.988  -3.628
   47    HG2  GLU   9           HG2      GLU   9   3.537 -13.197  -1.962
   48    HG3  GLU   9           HG3      GLU   9   2.675 -14.716  -2.315
   49    H    MET  10           H        MET  10  -1.514 -13.186  -2.699
   50    HA   MET  10           HA       MET  10  -2.320 -10.751  -3.847
   51    HB2  MET  10           HB2      MET  10  -3.507 -13.093  -4.012
   52    HB3  MET  10           HB3      MET  10  -4.278 -12.666  -2.459
   53    HG2  MET  10           HG2      MET  10  -5.124 -10.503  -3.667
   54    HG3  MET  10           HG3      MET  10  -4.521 -11.221  -5.183
   55    HE1  MET  10           HE1      MET  10  -8.625 -11.784  -3.612
   56    HE2  MET  10           HE2      MET  10  -7.362 -11.045  -2.578
   57    HE3  MET  10           HE3      MET  10  -7.676 -10.388  -4.222
   58    H    ASN  11           H        ASN  11  -2.305 -11.785  -0.366
   59    HA   ASN  11           HA       ASN  11  -4.095  -9.572   0.375
   60    HB2  ASN  11           HB2      ASN  11  -2.324 -11.203   2.249
   61    HB3  ASN  11           HB3      ASN  11  -3.844 -10.358   2.639
   62   HD21  ASN  11          HD21      ASN  11  -5.640 -11.339   0.559
   63   HD22  ASN  11          HD22      ASN  11  -5.729 -13.049   0.715
   64    H    THR  12           H        THR  12  -0.479 -10.246   0.488
   65    HA   THR  12           HA       THR  12   0.038  -7.912   2.039
   66    HB   THR  12           HB       THR  12   2.387  -8.030   1.103
   67    HG1  THR  12           HG1      THR  12   2.776  -9.831  -0.378
   68   HG21  THR  12          HG21      THR  12   1.776  -9.375   3.135
   69   HG22  THR  12          HG22      THR  12   2.972 -10.246   2.137
   70   HG23  THR  12          HG23      THR  12   1.261 -10.742   2.107
   71    H    ILE  13           H        ILE  13  -0.078  -8.399  -1.608
   72    HA   ILE  13           HA       ILE  13   0.813  -5.791  -2.180
   73    HB   ILE  13           HB       ILE  13  -0.384  -5.818  -4.329
   74   HG12  ILE  13          HG12      ILE  13  -1.603  -8.209  -4.840
   75   HG13  ILE  13          HG13      ILE  13  -1.912  -8.131  -3.100
   76   HG21  ILE  13          HG21      ILE  13   1.800  -7.026  -4.085
   77   HG22  ILE  13          HG22      ILE  13   0.916  -8.544  -3.760
   78   HG23  ILE  13          HG23      ILE  13   0.763  -7.742  -5.341
   79   HD11  ILE  13          HD11      ILE  13  -2.760  -6.106  -5.266
   80   HD12  ILE  13          HD12      ILE  13  -3.823  -7.240  -4.383
   81   HD13  ILE  13          HD13      ILE  13  -3.098  -5.852  -3.538
   82    H    LEU  14           H        LEU  14  -2.428  -6.814  -0.942
   83    HA   LEU  14           HA       LEU  14  -3.501  -4.174  -1.597
   84    HB2  LEU  14           HB2      LEU  14  -4.753  -6.469  -1.465
   85    HB3  LEU  14           HB3      LEU  14  -4.857  -6.171   0.285
   86    HG   LEU  14           HG       LEU  14  -5.874  -4.309  -1.974
   87   HD11  LEU  14          HD11      LEU  14  -7.163  -6.459  -1.908
   88   HD12  LEU  14          HD12      LEU  14  -8.163  -5.090  -1.361
   89   HD13  LEU  14          HD13      LEU  14  -7.467  -6.220  -0.163
   90   HD21  LEU  14          HD21      LEU  14  -5.393  -3.021   0.139
   91   HD22  LEU  14          HD22      LEU  14  -6.381  -4.173   1.079
   92   HD23  LEU  14          HD23      LEU  14  -7.142  -3.116  -0.148
   93    H    ASP  15           H        ASP  15  -2.733  -5.972   1.548
   94    HA   ASP  15           HA       ASP  15  -3.183  -3.759   3.199
   95    HB2  ASP  15           HB2      ASP  15  -2.728  -6.047   4.092
   96    HB3  ASP  15           HB3      ASP  15  -1.040  -5.955   3.531
   97    H    ASN  16           H        ASN  16  -0.065  -4.722   1.584
   98    HA   ASN  16           HA       ASN  16   1.301  -2.460   2.821
   99    HB2  ASN  16           HB2      ASN  16   2.310  -4.737   2.417
  100    HB3  ASN  16           HB3      ASN  16   2.349  -4.385   0.667
  101   HD21  ASN  16          HD21      ASN  16   4.732  -4.990   2.215
  102   HD22  ASN  16          HD22      ASN  16   5.687  -3.556   2.247
  103    H    LEU  17           H        LEU  17   0.125  -3.318  -0.561
  104    HA   LEU  17           HA       LEU  17   1.244  -0.685  -1.444
  105    HB2  LEU  17           HB2      LEU  17   1.706  -3.224  -2.425
  106    HB3  LEU  17           HB3      LEU  17   0.404  -2.727  -3.511
  107    HG   LEU  17           HG       LEU  17   3.059  -1.252  -2.998
  108   HD11  LEU  17          HD11      LEU  17   3.654  -1.969  -5.308
  109   HD12  LEU  17          HD12      LEU  17   2.086  -2.815  -5.473
  110   HD13  LEU  17          HD13      LEU  17   3.298  -3.393  -4.296
  111   HD21  LEU  17          HD21      LEU  17   0.830  -0.563  -5.025
  112   HD22  LEU  17          HD22      LEU  17   2.424   0.233  -4.919
  113   HD23  LEU  17          HD23      LEU  17   1.252   0.418  -3.597
  114    H    ALA  18           H        ALA  18  -0.885  -0.166  -0.004
  115    HA   ALA  18           HA       ALA  18  -2.620   0.994  -1.986
  116    HB1  ALA  18           HB1      ALA  18  -4.773  -0.015  -1.475
  117    HB2  ALA  18           HB2      ALA  18  -3.670  -1.365  -1.885
  118    HB3  ALA  18           HB3      ALA  18  -4.080  -1.015  -0.179
  119    H    ALA  19           H        ALA  19  -2.647  -0.072   1.557
  120    HA   ALA  19           HA       ALA  19  -3.975   2.169   2.553
  121    HB1  ALA  19           HB1      ALA  19  -1.525   0.745   3.806
  122    HB2  ALA  19           HB2      ALA  19  -2.637   1.855   4.668
  123    HB3  ALA  19           HB3      ALA  19  -3.241   0.287   4.042
  124    H    ARG  20           H        ARG  20  -0.402   1.772   1.753
  125    HA   ARG  20           HA       ARG  20  -0.123   4.711   2.066
  126    HB2  ARG  20           HB2      ARG  20   2.003   2.577   1.668
  127    HB3  ARG  20           HB3      ARG  20   2.290   4.327   1.796
  128    HG2  ARG  20           HG2      ARG  20   0.619   3.457   4.095
  129    HG3  ARG  20           HG3      ARG  20   2.056   2.417   3.973
  130    HD2  ARG  20           HD2      ARG  20   3.515   4.446   3.919
  131    HD3  ARG  20           HD3      ARG  20   2.050   5.484   4.103
  132    HE   ARG  20           HE       ARG  20   2.086   3.570   6.230
  133   HH11  ARG  20          HH12      ARG  20   3.984   6.423   5.103
  134   HH12  ARG  20          HH11      ARG  20   4.528   6.792   6.734
  135   HH21  ARG  20          HH22      ARG  20   2.838   4.125   8.274
  136   HH22  ARG  20          HH21      ARG  20   3.893   5.524   8.498
  137    H    ASP  21           H        ASP  21  -1.820   3.892  -0.190
  138    HA   ASP  21           HA       ASP  21  -0.134   5.165  -2.223
  139    HB2  ASP  21           HB2      ASP  21  -0.236   2.359  -2.184
  140    HB3  ASP  21           HB3      ASP  21  -1.515   2.734  -3.347
  141    H    PHE  22           H        PHE  22  -2.738   5.918  -0.726
  142    HA   PHE  22           HA       PHE  22  -4.168   6.671  -3.261
  143    HB2  PHE  22           HB2      PHE  22  -5.148   5.769  -0.552
  144    HB3  PHE  22           HB3      PHE  22  -5.959   7.197  -1.189
  145    HD1  PHE  22           HD1      PHE  22  -7.008   7.222  -3.457
  146    HD2  PHE  22           HD2      PHE  22  -5.551   3.578  -1.687
  147    HE1  PHE  22           HE1      PHE  22  -8.443   5.910  -4.986
  148    HE2  PHE  22           HE2      PHE  22  -6.997   2.267  -3.214
  149    HZ   PHE  22           HZ       PHE  22  -8.451   3.428  -4.858
  150    H    ILE  23           H        ILE  23  -1.863   7.985  -1.166
  151    HA   ILE  23           HA       ILE  23  -2.661  10.602  -1.948
  152    HB   ILE  23           HB       ILE  23  -2.273  10.977   0.947
  153   HG12  ILE  23          HG12      ILE  23  -4.522  10.229   1.745
  154   HG13  ILE  23          HG13      ILE  23  -4.749   9.281   0.273
  155   HG21  ILE  23          HG21      ILE  23  -3.114  12.673  -0.632
  156   HG22  ILE  23          HG22      ILE  23  -4.615  11.714  -0.848
  157   HG23  ILE  23          HG23      ILE  23  -4.220  12.423   0.742
  158   HD11  ILE  23          HD11      ILE  23  -2.760   7.824   1.006
  159   HD12  ILE  23          HD12      ILE  23  -2.538   8.879   2.425
  160   HD13  ILE  23          HD13      ILE  23  -4.017   7.897   2.252
  161    H    ASN  24           H        ASN  24  -0.578   9.397   0.794
  162    HA   ASN  24           HA       ASN  24   1.668  10.656   0.441
  163    HB2  ASN  24           HB2      ASN  24   2.844   8.064   0.520
  164    HB3  ASN  24           HB3      ASN  24   2.303   9.048   1.872
  165   HD21  ASN  24          HD21      ASN  24   0.194   7.192  -0.544
  166   HD22  ASN  24          HD22      ASN  24  -0.666   6.427   0.705
  167    H    TRP  25           H        TRP  25   2.033   7.633  -1.662
  168    HA   TRP  25           HA       TRP  25   3.793   8.672  -3.349
  169    HB2  TRP  25           HB2      TRP  25   3.438   6.650  -4.361
  170    HB3  TRP  25           HB3      TRP  25   1.857   6.449  -3.593
  171    HD1  TRP  25           HD1      TRP  25   3.331   7.098  -6.948
  172    HE1  TRP  25           HE1      TRP  25   1.473   7.386  -8.634
  173    HE3  TRP  25           HE3      TRP  25  -0.715   7.471  -3.718
  174    HZ2  TRP  25           HZ2      TRP  25  -1.232   7.754  -8.712
  175    HZ3  TRP  25           HZ3      TRP  25  -2.933   8.024  -4.752
  176    HH2  TRP  25           HH2      TRP  25  -3.210   8.056  -7.203
  177    H    LEU  26           H        LEU  26   0.327   9.650  -3.481
  178    HA   LEU  26           HA       LEU  26   0.732  11.109  -5.980
  179    HB2  LEU  26           HB2      LEU  26  -1.404  10.350  -5.852
  180    HB3  LEU  26           HB3      LEU  26  -1.662  10.667  -4.146
  181    HG   LEU  26           HG       LEU  26  -1.429  13.016  -6.079
  182   HD11  LEU  26          HD11      LEU  26  -3.950  13.016  -6.147
  183   HD12  LEU  26          HD12      LEU  26  -3.961  11.453  -5.284
  184   HD13  LEU  26          HD13      LEU  26  -3.264  11.569  -6.925
  185   HD21  LEU  26          HD21      LEU  26  -2.880  12.730  -3.360
  186   HD22  LEU  26          HD22      LEU  26  -2.709  14.228  -4.306
  187   HD23  LEU  26          HD23      LEU  26  -1.299  13.511  -3.519
  188    H    ILE  27           H        ILE  27   1.026  11.992  -2.499
  189    HA   ILE  27           HA       ILE  27   1.593  14.770  -3.465
  190    HB   ILE  27           HB       ILE  27  -0.144  15.113  -1.987
  191   HG12  ILE  27          HG12      ILE  27   2.457  15.544  -0.381
  192   HG13  ILE  27          HG13      ILE  27   1.849  16.560  -1.723
  193   HG21  ILE  27          HG21      ILE  27  -0.346  12.927  -0.851
  194   HG22  ILE  27          HG22      ILE  27   1.082  13.307   0.164
  195   HG23  ILE  27          HG23      ILE  27  -0.424  14.244   0.296
  196   HD11  ILE  27          HD11      ILE  27   0.560  16.220   1.059
  197   HD12  ILE  27          HD12      ILE  27   1.298  17.681   0.367
  198   HD13  ILE  27          HD13      ILE  27  -0.232  17.060  -0.314
  199    H    GLN  28           H        GLN  28   2.856  12.340  -1.020
  200    HA   GLN  28           HA       GLN  28   5.008  13.966  -0.432
  201    HB2  GLN  28           HB2      GLN  28   4.229  11.592   0.715
  202    HB3  GLN  28           HB3      GLN  28   5.491  10.948  -0.348
  203    HG2  GLN  28           HG2      GLN  28   5.659  13.040   1.901
  204    HG3  GLN  28           HG3      GLN  28   6.431  11.444   1.850
  205   HE21  GLN  28          HE21      GLN  28   6.943  14.862   1.139
  206   HE22  GLN  28          HE22      GLN  28   8.425  14.647   0.288
  207    H    THR  29           H        THR  29   4.808  11.158  -2.806
  208    HA   THR  29           HA       THR  29   7.445  12.070  -3.956
  209    HB   THR  29           HB       THR  29   6.073   9.350  -4.112
  210    HG1  THR  29           HG1      THR  29   7.595   8.843  -2.328
  211   HG21  THR  29          HG21      THR  29   9.017  10.203  -4.588
  212   HG22  THR  29          HG22      THR  29   7.876   9.810  -5.900
  213   HG23  THR  29          HG23      THR  29   8.380   8.544  -4.755
  214    H    LYS  30           H        LYS  30   5.799  13.766  -4.893
  215    HA   LYS  30           HA       LYS  30   5.485  13.208  -7.669
  216    HB2  LYS  30           HB2      LYS  30   3.203  12.493  -5.902
  217    HB3  LYS  30           HB3      LYS  30   2.690  13.620  -7.154
  218    HG2  LYS  30           HG2      LYS  30   4.236  11.151  -8.098
  219    HG3  LYS  30           HG3      LYS  30   2.535  10.993  -7.611
  220    HD2  LYS  30           HD2      LYS  30   1.838  12.699  -9.227
  221    HD3  LYS  30           HD3      LYS  30   3.532  12.968  -9.732
  222    HE2  LYS  30           HE2      LYS  30   3.690  10.627 -10.566
  223    HE3  LYS  30           HE3      LYS  30   2.072  10.242  -9.928
  224    HZ1  LYS  30           HZ1      LYS  30   1.052  11.839 -11.484
  225    HZ2  LYS  30           HZ2      LYS  30   2.006  10.682 -12.350
  226    HZ3  LYS  30           HZ3      LYS  30   2.613  12.302 -12.092
  227    H    ILE  31           H        ILE  31   3.637  15.014  -5.079
  228    HA   ILE  31           HA       ILE  31   3.947  17.479  -6.723
  229    HB   ILE  31           HB       ILE  31   2.363  16.957  -4.163
  230   HG12  ILE  31          HG12      ILE  31   1.375  17.394  -7.046
  231   HG13  ILE  31          HG13      ILE  31   1.578  15.796  -6.301
  232   HG21  ILE  31          HG21      ILE  31   2.460  19.465  -5.942
  233   HG22  ILE  31          HG22      ILE  31   1.400  19.229  -4.520
  234   HG23  ILE  31          HG23      ILE  31   3.154  19.337  -4.300
  235   HD11  ILE  31          HD11      ILE  31  -0.778  16.403  -6.129
  236   HD12  ILE  31          HD12      ILE  31  -0.090  16.412  -4.486
  237   HD13  ILE  31          HD13      ILE  31  -0.403  17.950  -5.338
  238    H    THR  32           H        THR  32   4.533  16.443  -3.210
  239    HA   THR  32           HA       THR  32   6.025  18.832  -2.700
  240    HB   THR  32           HB       THR  32   5.936  16.168  -1.194
  241    HG1  THR  32           HG1      THR  32   3.997  17.609  -1.128
  242   HG21  THR  32          HG21      THR  32   6.964  17.464   0.724
  243   HG22  THR  32          HG22      THR  32   7.273  18.811  -0.409
  244   HG23  THR  32          HG23      THR  32   8.098  17.233  -0.634
  245    H    ASP  33           H        ASP  33   7.010  15.391  -3.599
  246    HA   ASP  33           HA       ASP  33   9.650  16.535  -4.445
  247    HB2  ASP  33           HB2      ASP  33   9.617  15.501  -2.029
  248    HB3  ASP  33           HB3      ASP  33   9.310  13.934  -2.817
  Start of MODEL    9
    1    H1   HIS   1           H1       HIS   1  -7.427 -25.355  -2.885
    2    HA   HIS   1           HA       HIS   1  -7.089 -23.846  -0.934
    3    HB2  HIS   1           HB2      HIS   1  -6.968 -25.023   1.340
    4    HB3  HIS   1           HB3      HIS   1  -8.573 -25.078   0.567
    5    HD1  HIS   1           HD1      HIS   1  -5.527 -27.274   1.054
    6    HD2  HIS   1           HD2      HIS   1  -9.601 -27.496   0.047
    7    HE1  HIS   1           HE1      HIS   1  -6.081 -29.742   0.994
    8    H    ALA   2           H        ALA   2  -4.941 -23.759   0.348
    9    HA   ALA   2           HA       ALA   2  -2.635 -23.879   0.148
   10    HB1  ALA   2           HB1      ALA   2  -3.233 -26.891  -0.027
   11    HB2  ALA   2           HB2      ALA   2  -1.698 -26.132   0.479
   12    HB3  ALA   2           HB3      ALA   2  -3.165 -25.934   1.481
   13    H    ASP   3           H        ASP   3  -3.607 -22.975  -2.251
   14    HA   ASP   3           HA       ASP   3  -2.748 -24.606  -4.463
   15    HB2  ASP   3           HB2      ASP   3  -2.977 -21.544  -4.227
   16    HB3  ASP   3           HB3      ASP   3  -2.473 -22.403  -5.707
   17    H    GLY   4           H        GLY   4  -1.075 -21.871  -2.639
   18    HA2  GLY   4           HA2      GLY   4   1.347 -23.244  -2.331
   19    HA3  GLY   4           HA3      GLY   4   1.460 -22.449  -3.925
   20    H    SER   5           H        SER   5   0.455 -21.634  -0.499
   21    HA   SER   5           HA       SER   5   0.634 -19.598   0.625
   22    HB2  SER   5           HB2      SER   5   3.387 -19.636  -0.763
   23    HB3  SER   5           HB3      SER   5   2.949 -18.718   0.703
   24    HG   SER   5           HG       SER   5   2.955 -21.586   0.547
   25    H    PHE   6           H        PHE   6  -0.866 -19.366  -1.810
   26    HA   PHE   6           HA       PHE   6   0.305 -17.083  -3.254
   27    HB2  PHE   6           HB2      PHE   6  -1.087 -19.099  -4.240
   28    HB3  PHE   6           HB3      PHE   6  -2.509 -18.146  -3.768
   29    HD1  PHE   6           HD1      PHE   6  -2.353 -15.542  -4.480
   30    HD2  PHE   6           HD2      PHE   6  -0.199 -18.724  -6.411
   31    HE1  PHE   6           HE1      PHE   6  -1.920 -14.069  -6.423
   32    HE2  PHE   6           HE2      PHE   6   0.144 -17.290  -8.388
   33    HZ   PHE   6           HZ       PHE   6  -0.677 -14.946  -8.391
   34    H    SER   7           H        SER   7  -2.664 -17.806  -1.210
   35    HA   SER   7           HA       SER   7  -3.856 -15.358  -1.262
   36    HB2  SER   7           HB2      SER   7  -4.784 -17.263   0.067
   37    HB3  SER   7           HB3      SER   7  -3.448 -17.102   1.244
   38    HG   SER   7           HG       SER   7  -5.408 -15.880   1.918
   39    H    ASP   8           H        ASP   8  -1.035 -16.246   0.907
   40    HA   ASP   8           HA       ASP   8  -1.023 -13.898   2.409
   41    HB2  ASP   8           HB2      ASP   8   0.558 -15.723   2.925
   42    HB3  ASP   8           HB3      ASP   8   1.405 -15.480   1.377
   43    H    GLU   9           H        GLU   9   0.670 -14.454  -0.806
   44    HA   GLU   9           HA       GLU   9   1.609 -11.751  -0.930
   45    HB2  GLU   9           HB2      GLU   9   1.116 -13.822  -3.149
   46    HB3  GLU   9           HB3      GLU   9   1.646 -12.156  -3.491
   47    HG2  GLU   9           HG2      GLU   9   3.597 -13.678  -3.402
   48    HG3  GLU   9           HG3      GLU   9   3.691 -12.435  -2.135
   49    H    MET  10           H        MET  10  -1.409 -13.388  -2.164
   50    HA   MET  10           HA       MET  10  -2.359 -11.177  -3.586
   51    HB2  MET  10           HB2      MET  10  -3.348 -13.563  -3.511
   52    HB3  MET  10           HB3      MET  10  -4.207 -13.074  -2.021
   53    HG2  MET  10           HG2      MET  10  -5.439 -11.315  -3.339
   54    HG3  MET  10           HG3      MET  10  -4.442 -11.698  -4.782
   55    HE1  MET  10           HE1      MET  10  -7.394 -11.767  -5.390
   56    HE2  MET  10           HE2      MET  10  -6.179 -12.467  -6.516
   57    HE3  MET  10           HE3      MET  10  -7.651 -13.399  -6.094
   58    H    ASN  11           H        ASN  11  -2.274 -11.639  -0.017
   59    HA   ASN  11           HA       ASN  11  -4.170  -9.409   0.377
   60    HB2  ASN  11           HB2      ASN  11  -2.365 -10.677   2.485
   61    HB3  ASN  11           HB3      ASN  11  -3.912  -9.830   2.728
   62   HD21  ASN  11          HD21      ASN  11  -5.690 -11.152   0.880
   63   HD22  ASN  11          HD22      ASN  11  -5.719 -12.826   1.265
   64    H    THR  12           H        THR  12  -0.540  -9.979   0.620
   65    HA   THR  12           HA       THR  12  -0.067  -7.417   1.771
   66    HB   THR  12           HB       THR  12   2.275  -7.603   0.882
   67    HG1  THR  12           HG1      THR  12   2.736  -9.551  -0.377
   68   HG21  THR  12          HG21      THR  12   2.945  -9.622   2.169
   69   HG22  THR  12          HG22      THR  12   1.259 -10.199   2.212
   70   HG23  THR  12          HG23      THR  12   1.709  -8.691   3.057
   71    H    ILE  13           H        ILE  13  -0.188  -8.488  -1.733
   72    HA   ILE  13           HA       ILE  13   0.671  -6.029  -2.775
   73    HB   ILE  13           HB       ILE  13  -0.573  -6.441  -4.854
   74   HG12  ILE  13          HG12      ILE  13  -1.763  -8.900  -4.871
   75   HG13  ILE  13          HG13      ILE  13  -2.079  -8.471  -3.186
   76   HG21  ILE  13          HG21      ILE  13   0.561  -8.497  -5.530
   77   HG22  ILE  13          HG22      ILE  13   1.613  -7.568  -4.439
   78   HG23  ILE  13          HG23      ILE  13   0.768  -9.023  -3.844
   79   HD11  ILE  13          HD11      ILE  13  -3.999  -7.840  -4.604
   80   HD12  ILE  13          HD12      ILE  13  -3.243  -6.314  -4.090
   81   HD13  ILE  13          HD13      ILE  13  -2.941  -6.938  -5.724
   82    H    LEU  14           H        LEU  14  -2.564  -6.841  -1.348
   83    HA   LEU  14           HA       LEU  14  -3.625  -4.327  -2.432
   84    HB2  LEU  14           HB2      LEU  14  -4.839  -6.621  -2.025
   85    HB3  LEU  14           HB3      LEU  14  -5.076  -6.041  -0.363
   86    HG   LEU  14           HG       LEU  14  -5.924  -4.521  -2.939
   87   HD11  LEU  14          HD11      LEU  14  -7.121  -6.690  -2.837
   88   HD12  LEU  14          HD12      LEU  14  -8.238  -5.343  -2.511
   89   HD13  LEU  14          HD13      LEU  14  -7.644  -6.353  -1.160
   90   HD21  LEU  14          HD21      LEU  14  -5.721  -3.043  -0.918
   91   HD22  LEU  14          HD22      LEU  14  -6.805  -4.134  -0.007
   92   HD23  LEU  14          HD23      LEU  14  -7.418  -3.223  -1.420
   93    H    ASP  15           H        ASP  15  -2.775  -5.652   0.906
   94    HA   ASP  15           HA       ASP  15  -3.367  -3.241   2.241
   95    HB2  ASP  15           HB2      ASP  15  -2.839  -5.391   3.417
   96    HB3  ASP  15           HB3      ASP  15  -1.130  -5.247   2.947
   97    H    ASN  16           H        ASN  16  -0.190  -4.364   0.845
   98    HA   ASN  16           HA       ASN  16   1.089  -1.879   1.693
   99    HB2  ASN  16           HB2      ASN  16   2.158  -4.163   1.707
  100    HB3  ASN  16           HB3      ASN  16   2.228  -4.116  -0.078
  101   HD21  ASN  16          HD21      ASN  16   4.602  -4.404   1.509
  102   HD22  ASN  16          HD22      ASN  16   5.525  -2.958   1.348
  103    H    LEU  17           H        LEU  17   0.009  -3.331  -1.511
  104    HA   LEU  17           HA       LEU  17   1.124  -0.882  -2.811
  105    HB2  LEU  17           HB2      LEU  17   1.620  -3.476  -3.372
  106    HB3  LEU  17           HB3      LEU  17   0.229  -3.256  -4.456
  107    HG   LEU  17           HG       LEU  17   2.842  -1.614  -4.409
  108   HD11  LEU  17          HD11      LEU  17   1.801  -3.657  -6.468
  109   HD12  LEU  17          HD12      LEU  17   3.109  -3.946  -5.285
  110   HD13  LEU  17          HD13      LEU  17   3.332  -2.742  -6.580
  111   HD21  LEU  17          HD21      LEU  17   0.933  -0.169  -5.178
  112   HD22  LEU  17          HD22      LEU  17   0.459  -1.416  -6.369
  113   HD23  LEU  17          HD23      LEU  17   2.021  -0.561  -6.532
  114    H    ALA  18           H        ALA  18  -1.090  -0.227  -1.417
  115    HA   ALA  18           HA       ALA  18  -2.718   0.747  -3.589
  116    HB1  ALA  18           HB1      ALA  18  -4.293  -1.016  -1.622
  117    HB2  ALA  18           HB2      ALA  18  -4.895  -0.154  -3.051
  118    HB3  ALA  18           HB3      ALA  18  -3.816  -1.563  -3.251
  119    H    ALA  19           H        ALA  19  -2.953   0.118   0.063
  120    HA   ALA  19           HA       ALA  19  -4.124   2.660   0.598
  121    HB1  ALA  19           HB1      ALA  19  -2.187   1.049   2.376
  122    HB2  ALA  19           HB2      ALA  19  -3.213   2.421   2.895
  123    HB3  ALA  19           HB3      ALA  19  -3.970   0.891   2.355
  124    H    ARG  20           H        ARG  20  -0.616   1.591   0.258
  125    HA   ARG  20           HA       ARG  20   0.545   4.032   0.908
  126    HB2  ARG  20           HB2      ARG  20   1.337   1.983  -1.197
  127    HB3  ARG  20           HB3      ARG  20   2.302   3.455  -0.967
  128    HG2  ARG  20           HG2      ARG  20   1.690   1.556   1.374
  129    HG3  ARG  20           HG3      ARG  20   3.109   1.362   0.313
  130    HD2  ARG  20           HD2      ARG  20   3.919   3.630   0.876
  131    HD3  ARG  20           HD3      ARG  20   2.541   3.869   2.008
  132    HE   ARG  20           HE       ARG  20   3.859   1.479   2.779
  133   HH11  ARG  20          HH12      ARG  20   4.509   5.026   2.636
  134   HH12  ARG  20          HH11      ARG  20   5.604   4.950   4.010
  135   HH21  ARG  20          HH22      ARG  20   5.280   1.494   4.529
  136   HH22  ARG  20          HH21      ARG  20   6.036   2.998   5.060
  137    H    ASP  21           H        ASP  21  -1.170   3.200  -2.189
  138    HA   ASP  21           HA       ASP  21  -0.246   5.488  -3.548
  139    HB2  ASP  21           HB2      ASP  21  -1.491   3.551  -4.618
  140    HB3  ASP  21           HB3      ASP  21  -3.007   4.238  -3.982
  141    H    PHE  22           H        PHE  22  -2.591   5.443  -0.838
  142    HA   PHE  22           HA       PHE  22  -3.005   8.359  -1.381
  143    HB2  PHE  22           HB2      PHE  22  -5.105   6.352  -0.447
  144    HB3  PHE  22           HB3      PHE  22  -5.315   8.121  -0.508
  145    HD1  PHE  22           HD1      PHE  22  -5.234   9.346  -2.698
  146    HD2  PHE  22           HD2      PHE  22  -5.082   5.044  -2.553
  147    HE1  PHE  22           HE1      PHE  22  -5.823   9.245  -5.099
  148    HE2  PHE  22           HE2      PHE  22  -5.674   4.947  -4.956
  149    HZ   PHE  22           HZ       PHE  22  -6.055   7.046  -6.231
  150    H    ILE  23           H        ILE  23  -2.929   9.713   0.533
  151    HA   ILE  23           HA       ILE  23  -2.220  10.255   2.627
  152    HB   ILE  23           HB       ILE  23  -3.103   7.519   3.637
  153   HG12  ILE  23          HG12      ILE  23  -4.959   8.388   2.231
  154   HG13  ILE  23          HG13      ILE  23  -5.378   8.353   3.947
  155   HG21  ILE  23          HG21      ILE  23  -2.891  10.271   4.994
  156   HG22  ILE  23          HG22      ILE  23  -3.724   8.871   5.712
  157   HG23  ILE  23          HG23      ILE  23  -1.990   8.799   5.403
  158   HD11  ILE  23          HD11      ILE  23  -5.044  10.837   4.119
  159   HD12  ILE  23          HD12      ILE  23  -4.538  10.902   2.406
  160   HD13  ILE  23          HD13      ILE  23  -6.197  10.421   2.833
  161    H    ASN  24           H        ASN  24  -0.369   9.132   0.686
  162    HA   ASN  24           HA       ASN  24   1.787   8.934   2.538
  163    HB2  ASN  24           HB2      ASN  24   1.837   6.418   0.834
  164    HB3  ASN  24           HB3      ASN  24   2.758   6.847   2.266
  165   HD21  ASN  24          HD21      ASN  24  -0.658   6.245   1.152
  166   HD22  ASN  24          HD22      ASN  24  -1.158   5.449   2.593
  167    H    TRP  25           H        TRP  25   0.996   7.899  -0.881
  168    HA   TRP  25           HA       TRP  25   3.500   8.432  -1.822
  169    HB2  TRP  25           HB2      TRP  25   2.811   8.034  -3.964
  170    HB3  TRP  25           HB3      TRP  25   1.511   7.240  -3.074
  171    HD1  TRP  25           HD1      TRP  25   1.848   8.813  -6.109
  172    HE1  TRP  25           HE1      TRP  25  -0.119  10.143  -6.892
  173    HE3  TRP  25           HE3      TRP  25  -0.725   9.374  -1.616
  174    HZ2  TRP  25           HZ2      TRP  25  -2.387  11.293  -5.919
  175    HZ3  TRP  25           HZ3      TRP  25  -2.677  10.931  -1.631
  176    HH2  TRP  25           HH2      TRP  25  -3.555  11.806  -3.765
  177    H    LEU  26           H        LEU  26   0.991  10.944  -1.285
  178    HA   LEU  26           HA       LEU  26   3.083  12.961  -1.939
  179    HB2  LEU  26           HB2      LEU  26   0.151  12.993  -2.874
  180    HB3  LEU  26           HB3      LEU  26   1.255  14.385  -3.006
  181    HG   LEU  26           HG       LEU  26   1.644  11.697  -4.456
  182   HD11  LEU  26          HD11      LEU  26   0.709  14.403  -5.579
  183   HD12  LEU  26          HD12      LEU  26  -0.359  13.012  -5.268
  184   HD13  LEU  26          HD13      LEU  26   0.922  12.883  -6.498
  185   HD21  LEU  26          HD21      LEU  26   3.854  12.858  -4.141
  186   HD22  LEU  26          HD22      LEU  26   3.146  14.384  -4.735
  187   HD23  LEU  26          HD23      LEU  26   3.338  12.986  -5.830
  188    H    ILE  27           H        ILE  27   2.657  11.917   0.519
  189    HA   ILE  27           HA       ILE  27   1.498  14.223   1.928
  190    HB   ILE  27           HB       ILE  27   0.155  11.573   1.696
  191   HG12  ILE  27          HG12      ILE  27  -0.935  13.752   1.037
  192   HG13  ILE  27          HG13      ILE  27  -1.903  12.757   2.130
  193   HG21  ILE  27          HG21      ILE  27  -0.789  11.634   4.095
  194   HG22  ILE  27          HG22      ILE  27   0.878  11.074   3.947
  195   HG23  ILE  27          HG23      ILE  27   0.549  12.731   4.515
  196   HD11  ILE  27          HD11      ILE  27  -1.370  14.200   4.069
  197   HD12  ILE  27          HD12      ILE  27  -0.270  15.199   3.082
  198   HD13  ILE  27          HD13      ILE  27  -2.012  15.177   2.731
  199    H    GLN  28           H        GLN  28   2.932  10.873   2.491
  200    HA   GLN  28           HA       GLN  28   4.546  12.165   4.674
  201    HB2  GLN  28           HB2      GLN  28   2.820  10.434   5.303
  202    HB3  GLN  28           HB3      GLN  28   3.697   9.226   4.328
  203    HG2  GLN  28           HG2      GLN  28   5.718   9.495   5.796
  204    HG3  GLN  28           HG3      GLN  28   4.901  10.781   6.713
  205   HE21  GLN  28          HE21      GLN  28   2.717  10.168   7.804
  206   HE22  GLN  28          HE22      GLN  28   2.607   8.562   8.421
  207    H    THR  29           H        THR  29   5.392  12.819   2.281
  208    HA   THR  29           HA       THR  29   7.762  11.078   1.850
  209    HB   THR  29           HB       THR  29   7.198  11.612  -0.773
  210    HG1  THR  29           HG1      THR  29   5.015  12.466  -0.346
  211   HG21  THR  29          HG21      THR  29   7.686   9.334   0.118
  212   HG22  THR  29          HG22      THR  29   6.291   9.322  -0.996
  213   HG23  THR  29          HG23      THR  29   6.018   9.224   0.766
  214    H    LYS  30           H        LYS  30   6.192  14.178   0.576
  215    HA   LYS  30           HA       LYS  30   8.937  15.390   0.722
  216    HB2  LYS  30           HB2      LYS  30   6.371  16.229  -0.721
  217    HB3  LYS  30           HB3      LYS  30   7.942  17.057  -0.860
  218    HG2  LYS  30           HG2      LYS  30   8.971  15.196  -2.017
  219    HG3  LYS  30           HG3      LYS  30   7.664  14.069  -1.582
  220    HD2  LYS  30           HD2      LYS  30   6.034  15.301  -2.994
  221    HD3  LYS  30           HD3      LYS  30   7.310  16.451  -3.489
  222    HE2  LYS  30           HE2      LYS  30   8.609  14.568  -4.518
  223    HE3  LYS  30           HE3      LYS  30   7.384  13.394  -3.961
  224    HZ1  LYS  30           HZ1      LYS  30   5.692  14.495  -5.369
  225    HZ2  LYS  30           HZ2      LYS  30   7.040  13.965  -6.318
  226    HZ3  LYS  30           HZ3      LYS  30   6.871  15.656  -5.919
  227    H    ILE  31           H        ILE  31   6.786  14.889   3.047
  228    HA   ILE  31           HA       ILE  31   6.700  17.771   3.892
  229    HB   ILE  31           HB       ILE  31   4.629  15.590   4.506
  230   HG12  ILE  31          HG12      ILE  31   4.572  17.935   2.510
  231   HG13  ILE  31          HG13      ILE  31   4.464  16.192   2.152
  232   HG21  ILE  31          HG21      ILE  31   4.988  17.302   6.329
  233   HG22  ILE  31          HG22      ILE  31   4.591  18.588   5.153
  234   HG23  ILE  31          HG23      ILE  31   3.367  17.370   5.624
  235   HD11  ILE  31          HD11      ILE  31   2.338  17.952   3.525
  236   HD12  ILE  31          HD12      ILE  31   2.211  17.095   1.973
  237   HD13  ILE  31          HD13      ILE  31   2.246  16.169   3.498
  238    H    THR  32           H        THR  32   6.508  14.334   5.257
  239    HA   THR  32           HA       THR  32   7.486  15.141   7.781
  240    HB   THR  32           HB       THR  32   7.696  12.417   6.337
  241    HG1  THR  32           HG1      THR  32   5.516  13.192   7.104
  242   HG21  THR  32          HG21      THR  32   9.512  12.494   8.021
  243   HG22  THR  32          HG22      THR  32   8.164  11.468   8.585
  244   HG23  THR  32          HG23      THR  32   8.377  13.108   9.264
  245    H    ASP  33           H        ASP  33   9.260  14.285   4.720
  246    HA   ASP  33           HA       ASP  33  11.646  15.610   5.968
  247    HB2  ASP  33           HB2      ASP  33  11.888  13.103   6.202
  248    HB3  ASP  33           HB3      ASP  33  11.651  12.928   4.443
  Start of MODEL   10
    1    H1   HIS   1           H1       HIS   1  -8.583 -22.820   4.700
    2    HA   HIS   1           HA       HIS   1  -6.750 -24.457   4.713
    3    HB2  HIS   1           HB2      HIS   1  -8.878 -26.189   4.102
    4    HB3  HIS   1           HB3      HIS   1  -8.101 -26.046   2.513
    5    HD1  HIS   1           HD1      HIS   1  -7.011 -28.288   2.401
    6    HD2  HIS   1           HD2      HIS   1  -6.337 -26.380   6.092
    7    HE1  HIS   1           HE1      HIS   1  -5.391 -29.764   3.663
    8    H    ALA   2           H        ALA   2  -5.275 -24.908   2.578
    9    HA   ALA   2           HA       ALA   2  -6.009 -23.130   0.345
   10    HB1  ALA   2           HB1      ALA   2  -3.740 -22.391   2.312
   11    HB2  ALA   2           HB2      ALA   2  -4.132 -21.495   0.816
   12    HB3  ALA   2           HB3      ALA   2  -5.288 -21.510   2.172
   13    H    ASP   3           H        ASP   3  -4.011 -22.851  -1.201
   14    HA   ASP   3           HA       ASP   3  -1.985 -24.961  -0.901
   15    HB2  ASP   3           HB2      ASP   3  -2.735 -25.934  -3.226
   16    HB3  ASP   3           HB3      ASP   3  -3.658 -26.414  -1.780
   17    H    GLY   4           H        GLY   4  -0.045 -24.222  -1.952
   18    HA2  GLY   4           HA2      GLY   4   1.121 -23.081  -3.659
   19    HA3  GLY   4           HA3      GLY   4  -0.355 -22.239  -4.154
   20    H    SER   5           H        SER   5  -0.516 -21.789  -0.808
   21    HA   SER   5           HA       SER   5  -0.151 -19.842   0.392
   22    HB2  SER   5           HB2      SER   5   1.984 -21.126   0.680
   23    HB3  SER   5           HB3      SER   5   2.690 -20.240  -0.709
   24    HG   SER   5           HG       SER   5   3.154 -19.171   1.364
   25    H    PHE   6           H        PHE   6  -1.308 -19.341  -2.195
   26    HA   PHE   6           HA       PHE   6   0.197 -17.025  -3.231
   27    HB2  PHE   6           HB2      PHE   6  -1.589 -18.807  -4.467
   28    HB3  PHE   6           HB3      PHE   6  -2.601 -17.371  -4.242
   29    HD1  PHE   6           HD2      PHE   6  -1.330 -15.057  -4.851
   30    HD2  PHE   6           HD1      PHE   6  -0.209 -18.907  -6.407
   31    HE1  PHE   6           HE2      PHE   6  -0.242 -13.959  -6.779
   32    HE2  PHE   6           HE1      PHE   6   0.886 -17.810  -8.325
   33    HZ   PHE   6           HZ       PHE   6   0.869 -15.334  -8.527
   34    H    SER   7           H        SER   7  -2.836 -17.730  -1.321
   35    HA   SER   7           HA       SER   7  -4.040 -15.345  -1.126
   36    HB2  SER   7           HB2      SER   7  -4.701 -17.297   0.292
   37    HB3  SER   7           HB3      SER   7  -3.226 -17.101   1.273
   38    HG   SER   7           HG       SER   7  -5.332 -15.158   1.117
   39    H    ASP   8           H        ASP   8  -0.929 -16.118   0.701
   40    HA   ASP   8           HA       ASP   8  -0.905 -13.677   2.109
   41    HB2  ASP   8           HB2      ASP   8   0.693 -15.524   2.632
   42    HB3  ASP   8           HB3      ASP   8   1.550 -15.236   1.095
   43    H    GLU   9           H        GLU   9   0.541 -14.490  -1.176
   44    HA   GLU   9           HA       GLU   9   1.562 -11.861  -1.569
   45    HB2  GLU   9           HB2      GLU   9   0.687 -13.971  -3.613
   46    HB3  GLU   9           HB3      GLU   9   1.384 -12.402  -4.081
   47    HG2  GLU   9           HG2      GLU   9   2.818 -14.399  -2.215
   48    HG3  GLU   9           HG3      GLU   9   3.092 -14.287  -3.970
   49    H    MET  10           H        MET  10  -1.678 -13.283  -2.594
   50    HA   MET  10           HA       MET  10  -2.609 -10.918  -3.806
   51    HB2  MET  10           HB2      MET  10  -4.200 -12.994  -2.183
   52    HB3  MET  10           HB3      MET  10  -4.965 -11.637  -3.054
   53    HG2  MET  10           HG2      MET  10  -4.023 -12.436  -5.226
   54    HG3  MET  10           HG3      MET  10  -3.316 -13.856  -4.388
   55    HE1  MET  10           HE1      MET  10  -4.711 -15.475  -6.103
   56    HE2  MET  10           HE2      MET  10  -6.478 -15.295  -6.357
   57    HE3  MET  10           HE3      MET  10  -5.363 -13.991  -6.878
   58    H    ASN  11           H        ASN  11  -2.376 -11.692  -0.273
   59    HA   ASN  11           HA       ASN  11  -4.083  -9.358   0.363
   60    HB2  ASN  11           HB2      ASN  11  -2.698 -11.457   2.107
   61    HB3  ASN  11           HB3      ASN  11  -3.411  -9.968   2.765
   62   HD21  ASN  11          HD21      ASN  11  -4.431 -12.678   0.434
   63   HD22  ASN  11          HD22      ASN  11  -6.050 -12.670   1.011
   64    H    THR  12           H        THR  12  -0.504 -10.168   0.434
   65    HA   THR  12           HA       THR  12   0.090  -7.724   1.860
   66    HB   THR  12           HB       THR  12   2.439  -8.057   1.002
   67    HG1  THR  12           HG1      THR  12   2.755 -10.053  -0.246
   68   HG21  THR  12          HG21      THR  12   1.128 -10.535   2.306
   69   HG22  THR  12          HG22      THR  12   1.752  -9.097   3.161
   70   HG23  THR  12          HG23      THR  12   2.876 -10.173   2.289
   71    H    ILE  13           H        ILE  13   0.076  -8.619  -1.709
   72    HA   ILE  13           HA       ILE  13   1.010  -6.077  -2.512
   73    HB   ILE  13           HB       ILE  13  -0.021  -6.360  -4.719
   74   HG12  ILE  13          HG12      ILE  13  -1.149  -8.804  -5.051
   75   HG13  ILE  13          HG13      ILE  13  -1.640  -8.543  -3.371
   76   HG21  ILE  13          HG21      ILE  13   1.219  -8.353  -5.416
   77   HG22  ILE  13          HG22      ILE  13   2.143  -7.478  -4.174
   78   HG23  ILE  13          HG23      ILE  13   1.275  -8.979  -3.750
   79   HD11  ILE  13          HD11      ILE  13  -2.289  -6.761  -5.807
   80   HD12  ILE  13          HD12      ILE  13  -3.426  -7.821  -4.929
   81   HD13  ILE  13          HD13      ILE  13  -2.789  -6.355  -4.149
   82    H    LEU  14           H        LEU  14  -2.315  -7.035  -1.437
   83    HA   LEU  14           HA       LEU  14  -3.332  -4.472  -2.427
   84    HB2  LEU  14           HB2      LEU  14  -4.593  -6.859  -2.021
   85    HB3  LEU  14           HB3      LEU  14  -4.941  -6.105  -0.457
   86    HG   LEU  14           HG       LEU  14  -6.801  -5.747  -1.947
   87   HD11  LEU  14          HD11      LEU  14  -7.057  -3.311  -2.008
   88   HD12  LEU  14          HD12      LEU  14  -5.297  -3.072  -1.931
   89   HD13  LEU  14          HD13      LEU  14  -6.164  -3.750  -0.523
   90   HD21  LEU  14          HD21      LEU  14  -6.711  -4.716  -4.171
   91   HD22  LEU  14          HD22      LEU  14  -5.650  -6.146  -4.137
   92   HD23  LEU  14          HD23      LEU  14  -4.949  -4.506  -4.084
   93    H    ASP  15           H        ASP  15  -2.826  -5.979   0.886
   94    HA   ASP  15           HA       ASP  15  -3.478  -3.631   2.298
   95    HB2  ASP  15           HB2      ASP  15  -3.195  -5.812   3.444
   96    HB3  ASP  15           HB3      ASP  15  -1.459  -5.839   3.062
   97    H    ASN  16           H        ASN  16  -0.184  -4.808   1.252
   98    HA   ASN  16           HA       ASN  16   1.062  -2.470   2.419
   99    HB2  ASN  16           HB2      ASN  16   2.106  -4.762   2.235
  100    HB3  ASN  16           HB3      ASN  16   2.330  -4.487   0.484
  101   HD21  ASN  16          HD21      ASN  16   4.528  -4.986   2.333
  102   HD22  ASN  16          HD22      ASN  16   5.476  -3.548   2.372
  103    H    LEU  17           H        LEU  17   0.297  -3.527  -1.028
  104    HA   LEU  17           HA       LEU  17   1.542  -0.953  -1.912
  105    HB2  LEU  17           HB2      LEU  17   2.137  -3.492  -2.663
  106    HB3  LEU  17           HB3      LEU  17   0.894  -3.160  -3.883
  107    HG   LEU  17           HG       LEU  17   3.474  -1.566  -3.322
  108   HD11  LEU  17          HD11      LEU  17   4.228  -2.418  -5.532
  109   HD12  LEU  17          HD12      LEU  17   2.681  -3.287  -5.755
  110   HD13  LEU  17          HD13      LEU  17   3.812  -3.784  -4.464
  111   HD21  LEU  17          HD21      LEU  17   1.729   0.045  -4.123
  112   HD22  LEU  17          HD22      LEU  17   1.322  -1.048  -5.480
  113   HD23  LEU  17          HD23      LEU  17   2.918  -0.255  -5.413
  114    H    ALA  18           H        ALA  18  -0.811  -0.354  -0.793
  115    HA   ALA  18           HA       ALA  18  -2.210   0.710  -3.084
  116    HB1  ALA  18           HB1      ALA  18  -3.963  -1.150  -1.400
  117    HB2  ALA  18           HB2      ALA  18  -4.406  -0.281  -2.882
  118    HB3  ALA  18           HB3      ALA  18  -3.267  -1.657  -2.971
  119    H    ALA  19           H        ALA  19  -2.777  -0.110   0.487
  120    HA   ALA  19           HA       ALA  19  -4.237   2.172   1.141
  121    HB1  ALA  19           HB1      ALA  19  -3.598   0.442   2.853
  122    HB2  ALA  19           HB2      ALA  19  -1.885   0.942   2.740
  123    HB3  ALA  19           HB3      ALA  19  -3.106   2.072   3.400
  124    H    ARG  20           H        ARG  20  -0.635   1.813   0.607
  125    HA   ARG  20           HA       ARG  20  -0.076   4.442   1.438
  126    HB2  ARG  20           HB2      ARG  20   2.130   4.199   0.572
  127    HB3  ARG  20           HB3      ARG  20   1.624   2.584   1.119
  128    HG2  ARG  20           HG2      ARG  20   0.945   2.210  -1.450
  129    HG3  ARG  20           HG3      ARG  20   1.918   3.678  -1.740
  130    HD2  ARG  20           HD2      ARG  20   3.824   2.452  -0.406
  131    HD3  ARG  20           HD3      ARG  20   2.761   1.004  -0.527
  132    HE   ARG  20           HE       ARG  20   3.265   2.224  -3.134
  133   HH11  ARG  20          HH12      ARG  20   4.832   0.163  -0.608
  134   HH12  ARG  20          HH11      ARG  20   5.904  -0.575  -1.789
  135   HH21  ARG  20          HH22      ARG  20   4.737   1.257  -4.538
  136   HH22  ARG  20          HH21      ARG  20   5.860   0.026  -3.958
  137    H    ASP  21           H        ASP  21  -1.353   3.229  -1.716
  138    HA   ASP  21           HA       ASP  21  -0.761   5.728  -3.060
  139    HB2  ASP  21           HB2      ASP  21  -2.663   3.484  -3.885
  140    HB3  ASP  21           HB3      ASP  21  -2.183   4.874  -4.892
  141    H    PHE  22           H        PHE  22  -1.816   6.751  -0.824
  142    HA   PHE  22           HA       PHE  22  -4.080   8.180  -1.725
  143    HB2  PHE  22           HB2      PHE  22  -5.489   6.197  -1.218
  144    HB3  PHE  22           HB3      PHE  22  -4.757   6.071   0.394
  145    HD1  PHE  22           HD1      PHE  22  -6.529   8.534  -1.888
  146    HD2  PHE  22           HD2      PHE  22  -5.935   7.250   2.180
  147    HE1  PHE  22           HE1      PHE  22  -8.069  10.300  -1.103
  148    HE2  PHE  22           HE2      PHE  22  -7.521   8.982   2.951
  149    HZ   PHE  22           HZ       PHE  22  -8.569  10.533   1.318
  150    H    ILE  23           H        ILE  23  -2.526   9.834  -1.073
  151    HA   ILE  23           HA       ILE  23  -1.743  11.377   0.380
  152    HB   ILE  23           HB       ILE  23  -3.234  10.091   2.685
  153   HG12  ILE  23          HG12      ILE  23  -4.833  10.451   0.790
  154   HG13  ILE  23          HG13      ILE  23  -5.159  11.498   2.177
  155   HG21  ILE  23          HG21      ILE  23  -1.753  11.793   3.571
  156   HG22  ILE  23          HG22      ILE  23  -2.115  12.915   2.242
  157   HG23  ILE  23          HG23      ILE  23  -3.348  12.532   3.471
  158   HD11  ILE  23          HD11      ILE  23  -3.748  12.391  -0.418
  159   HD12  ILE  23          HD12      ILE  23  -5.433  12.728   0.043
  160   HD13  ILE  23          HD13      ILE  23  -4.106  13.445   0.985
  161    H    ASN  24           H        ASN  24  -0.298   8.745  -0.238
  162    HA   ASN  24           HA       ASN  24   1.864   9.438   1.613
  163    HB2  ASN  24           HB2      ASN  24   1.119   6.480   1.534
  164    HB3  ASN  24           HB3      ASN  24   2.221   7.306   2.639
  165   HD21  ASN  24          HD21      ASN  24  -1.286   6.882   1.702
  166   HD22  ASN  24          HD22      ASN  24  -1.896   7.282   3.260
  167    H    TRP  25           H        TRP  25   1.843  10.060  -0.952
  168    HA   TRP  25           HA       TRP  25   3.902   8.705  -2.264
  169    HB2  TRP  25           HB2      TRP  25   3.011   6.743  -3.058
  170    HB3  TRP  25           HB3      TRP  25   1.453   7.083  -2.299
  171    HD1  TRP  25           HD1      TRP  25   3.108   7.059  -5.693
  172    HE1  TRP  25           HE1      TRP  25   1.323   7.297  -7.456
  173    HE3  TRP  25           HE3      TRP  25  -0.944   8.284  -2.680
  174    HZ2  TRP  25           HZ2      TRP  25  -1.342   7.852  -7.666
  175    HZ3  TRP  25           HZ3      TRP  25  -3.116   8.746  -3.833
  176    HH2  TRP  25           HH2      TRP  25  -3.328   8.479  -6.274
  177    H    LEU  26           H        LEU  26   0.617  10.067  -2.942
  178    HA   LEU  26           HA       LEU  26   1.585  11.521  -5.272
  179    HB2  LEU  26           HB2      LEU  26  -0.738  10.600  -4.985
  180    HB3  LEU  26           HB3      LEU  26  -1.012  11.743  -3.647
  181    HG   LEU  26           HG       LEU  26  -0.792  13.642  -5.327
  182   HD11  LEU  26          HD11      LEU  26  -0.515  11.311  -7.344
  183   HD12  LEU  26          HD12      LEU  26   0.609  12.680  -7.118
  184   HD13  LEU  26          HD13      LEU  26  -0.996  12.954  -7.822
  185   HD21  LEU  26          HD21      LEU  26  -3.041  12.636  -4.732
  186   HD22  LEU  26          HD22      LEU  26  -2.866  11.471  -6.073
  187   HD23  LEU  26          HD23      LEU  26  -3.014  13.218  -6.415
  188    H    ILE  27           H        ILE  27   1.073  12.121  -1.760
  189    HA   ILE  27           HA       ILE  27   0.831  14.751  -1.580
  190    HB   ILE  27           HB       ILE  27   2.091  14.784   0.557
  191   HG12  ILE  27          HG12      ILE  27   2.693  12.035   1.114
  192   HG13  ILE  27          HG13      ILE  27   3.309  12.251  -0.522
  193   HG21  ILE  27          HG21      ILE  27  -0.299  13.977   0.442
  194   HG22  ILE  27          HG22      ILE  27   0.337  12.306   0.417
  195   HG23  ILE  27          HG23      ILE  27   0.637  13.343   1.821
  196   HD11  ILE  27          HD11      ILE  27   4.523  14.377   0.406
  197   HD12  ILE  27          HD12      ILE  27   4.041  13.829   2.026
  198   HD13  ILE  27          HD13      ILE  27   5.121  12.809   1.028
  199    H    GLN  28           H        GLN  28   4.127  13.330  -2.457
  200    HA   GLN  28           HA       GLN  28   4.966  16.208  -2.816
  201    HB2  GLN  28           HB2      GLN  28   6.231  14.813  -1.029
  202    HB3  GLN  28           HB3      GLN  28   6.862  13.841  -2.371
  203    HG2  GLN  28           HG2      GLN  28   7.852  16.015  -3.331
  204    HG3  GLN  28           HG3      GLN  28   7.111  16.903  -1.968
  205   HE21  GLN  28          HE21      GLN  28   9.306  17.676  -1.329
  206   HE22  GLN  28          HE22      GLN  28  10.341  16.589  -0.487
  207    H    THR  29           H        THR  29   3.415  15.484  -4.759
  208    HA   THR  29           HA       THR  29   5.300  14.979  -6.983
  209    HB   THR  29           HB       THR  29   2.929  13.125  -6.423
  210    HG1  THR  29           HG1      THR  29   5.715  12.540  -6.326
  211   HG21  THR  29          HG21      THR  29   4.941  13.102  -8.753
  212   HG22  THR  29          HG22      THR  29   3.200  13.502  -8.878
  213   HG23  THR  29          HG23      THR  29   3.707  11.852  -8.422
  214    H    LYS  30           H        LYS  30   1.652  15.158  -6.295
  215    HA   LYS  30           HA       LYS  30   1.557  17.141  -8.547
  216    HB2  LYS  30           HB2      LYS  30   0.216  14.927  -8.563
  217    HB3  LYS  30           HB3      LYS  30  -0.729  15.612  -7.217
  218    HG2  LYS  30           HG2      LYS  30  -1.980  15.933  -9.249
  219    HG3  LYS  30           HG3      LYS  30  -1.386  17.552  -8.809
  220    HD2  LYS  30           HD2      LYS  30   0.402  17.397 -10.555
  221    HD3  LYS  30           HD3      LYS  30  -0.032  15.694 -10.880
  222    HE2  LYS  30           HE2      LYS  30  -2.274  16.406 -11.704
  223    HE3  LYS  30           HE3      LYS  30  -1.896  18.109 -11.311
  224    HZ1  LYS  30           HZ1      LYS  30  -0.382  16.388 -13.310
  225    HZ2  LYS  30           HZ2      LYS  30  -0.052  18.063 -12.947
  226    HZ3  LYS  30           HZ3      LYS  30  -1.551  17.615 -13.705
  227    H    ILE  31           H        ILE  31   2.701  17.859  -5.967
  228    HA   ILE  31           HA       ILE  31   0.770  20.032  -5.354
  229    HB   ILE  31           HB       ILE  31   2.131  18.398  -3.132
  230   HG12  ILE  31          HG12      ILE  31  -0.797  18.435  -4.059
  231   HG13  ILE  31          HG13      ILE  31   0.342  17.057  -4.079
  232   HG21  ILE  31          HG21      ILE  31   1.875  20.901  -2.719
  233   HG22  ILE  31          HG22      ILE  31   0.114  20.718  -2.954
  234   HG23  ILE  31          HG23      ILE  31   0.942  19.910  -1.589
  235   HD11  ILE  31          HD11      ILE  31  -1.121  16.725  -2.183
  236   HD12  ILE  31          HD12      ILE  31   0.448  17.249  -1.503
  237   HD13  ILE  31          HD13      ILE  31  -0.918  18.399  -1.613
  238    H    THR  32           H        THR  32   4.099  18.779  -4.319
  239    HA   THR  32           HA       THR  32   5.219  21.343  -4.131
  240    HB   THR  32           HB       THR  32   6.579  18.743  -5.074
  241    HG1  THR  32           HG1      THR  32   6.084  19.654  -2.397
  242   HG21  THR  32          HG21      THR  32   7.740  21.225  -3.637
  243   HG22  THR  32          HG22      THR  32   8.105  20.716  -5.314
  244   HG23  THR  32          HG23      THR  32   8.616  19.696  -3.937
  245    H    ASP  33           H        ASP  33   4.613  19.273  -7.063
  246    HA   ASP  33           HA       ASP  33   6.176  20.477  -8.960
  247    HB2  ASP  33           HB2      ASP  33   4.455  18.729  -9.514
  248    HB3  ASP  33           HB3      ASP  33   3.156  19.919  -9.244