*HEADER    TRANSFERASE                             13-JUL-15   2N58              
*TITLE     STRUCTURE OF AN N-TERMINAL MEMBRANE-ANCHORING REGION OF THE           
*TITLE    2 GLYCOSYLTRANSFERASE WAAG                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LIPOPOLYSACCHARIDE CORE BIOSYNTHESIS PROTEIN RFAG;         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 103-132;                                      
*COMPND   5 SYNONYM: GLUCOSYLTRANSFERASE I;                                      
*COMPND   6 EC: 2.4.-.-;                                                         
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12;                          
*SOURCE   4 ORGANISM_TAXID: 83333                                                
*KEYWDS    GLYCOSYLTRANSFERASE, WAAG, MEMBRANE, TRANSFERASE                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    J.LIEBAU, P.PETTERSSON, S.SZPRYNGIEL, L.MALER                         
*REVDAT   1   19-AUG-15 2N58    0                                                


 16 THR  HB     17 SER  H       3.91            #peak     6 #SUP  0.99  #QF  0.86
 16 THR  H      16 THR  QG2     4.68            #peak     7 #SUP  1.00  #QF  0.97
 16 THR  QG2    17 SER  H       5.23            #peak     7 #SUP  1.00  #QF  0.97
  4 LYS  H       4 LYS  HG3     4.86            #peak    32 #SUP  0.74  #QF  0.67
  4 LYS  H       6 ALA  QB      5.56            #peak    32 #SUP  0.74  #QF  0.67
 26 GLU  H      26 GLU  HB3     3.59            #peak    39 #SUP  0.88  #QF  0.88
 21 HIS  HA     23 ALA  H       4.97            #peak    50 #SUP  0.59  #QF  0.45
 25 PHE  HA     28 ALA  H       5.30            #peak    50 #SUP  0.59  #QF  0.45
 19 TYR  QE     20 ARG  QD      5.56            #peak    89 #SUP  0.84  #QF  0.84
 15 LEU  HA     19 TYR  QD      4.59            #peak    99 #SUP  0.79  #QF  0.79
 15 LEU  HA     19 TYR  QE      4.99            #peak   101 #SUP  0.78  #QF  0.71
 19 TYR  QE     23 ALA  HA      5.76            #peak   101 #SUP  0.78  #QF  0.71
 19 TYR  HA     19 TYR  QE      5.03            #peak   103 #SUP  0.99  #QF  0.99
 13 TYR  HA     13 TYR  QE      4.93            #peak   134 #SUP  0.72  #QF  0.72
 22 TYR  QD     23 ALA  QB      5.37            #peak   158 #SUP  0.74  #QF  0.74
 13 TYR  QD     16 THR  QG2     4.45            #peak   159 #SUP  0.46  #QF  0.46
 13 TYR  QE     16 THR  QG2     4.48            #peak   161 #SUP  0.57  #QF  0.57
 13 TYR  QB     14 ARG  H       3.72            #peak   166 #SUP  0.73  #QF  0.73
  7 GLN  HB3     8 GLU  H       4.36            #peak   174 #SUP  0.90  #QF  0.90
  7 GLN  HB2     8 GLU  H       4.36            #peak   175 #SUP  0.78  #QF  0.78
 18 ARG  HB2    19 TYR  H       4.22            #peak   183 #SUP  0.81  #QF  0.81
 17 SER  H      20 ARG  QG      5.43            #peak   185 #SUP  0.71  #QF  0.34
 19 TYR  H      20 ARG  QG      5.69            #peak   185 #SUP  0.71  #QF  0.34
  7 GLN  H       8 GLU  H       3.24            #peak   187 #SUP  0.77  #QF  0.70
  8 GLU  HA      8 GLU  QG      3.68            #peak   189 #SUP  0.95  #QF  0.25
 26 GLU  HA     26 GLU  QG      3.98            #peak   189 #SUP  0.95  #QF  0.25
 12 LEU  HA     12 LEU  HG      4.00            #peak   198 #SUP  1.00  #QF  0.98
 16 THR  HA     16 THR  QG2     3.69            #peak   205 #SUP  0.99  #QF  0.93
  2 ALA  H       5 VAL  QQG     5.20            #peak   210 #SUP  0.65  #QF  0.21
  5 VAL  QQG     7 GLN  H       5.50            #peak   210 #SUP  0.65  #QF  0.21
 27 ARG  HA     27 ARG  QD      4.00            #peak   214 #SUP  0.90  #QF  0.90
 15 LEU  QB     15 LEU  QQD     3.66            #peak   223 #SUP  0.93  #QF  0.73
 12 LEU  HA     12 LEU  QD1     4.10            #peak   224 #SUP  0.99  #QF  0.99
 12 LEU  HB3    12 LEU  QD1     3.66            #peak   228 #SUP  0.93  #QF  0.93
 12 LEU  HB3    12 LEU  QD2     3.66            #peak   229 #SUP  0.96  #QF  0.96
 18 ARG  HB2    18 ARG  QD      3.94            #peak   257 #SUP  1.00  #QF  0.99
 23 ALA  HA     25 PHE  QR      6.00            #peak   282 #SUP  0.91  #QF  0.87
 23 ALA  HA     30 PHE  QE      6.00            #peak   282 #SUP  0.91  #QF  0.87
 23 ALA  QB     25 PHE  QR      5.51            #peak   287 #SUP  0.94  #QF  0.94
 11 PHE  QD     15 LEU  HG      4.66            #peak   291 #SUP  0.81  #QF  0.81
  8 GLU  QB     13 TYR  QD      6.00            #peak   292 #SUP  0.89  #QF  0.31
 25 PHE  QR     26 GLU  QG      6.00            #peak   293 #SUP  0.96  #QF  0.46
 26 GLU  QG     30 PHE  QE      6.00            #peak   293 #SUP  0.96  #QF  0.46
 11 PHE  QE     15 LEU  HG      4.85            #peak   297 #SUP  0.94  #QF  0.94
 13 TYR  QB     14 ARG  HA      5.99            #peak   302 #SUP  1.00  #QF  0.66
 16 THR  HB     18 ARG  QD      5.57            #peak   302 #SUP  1.00  #QF  0.66
  6 ALA  QB     13 TYR  QE      5.16            #peak   312 #SUP  0.53  #QF  0.53
 18 ARG  HG3    22 TYR  QE      4.75            #peak   313 #SUP  0.76  #QF  0.76
  4 LYS  H       5 VAL  QQG     4.72            #peak   317 #SUP  0.68  #QF  0.57
  5 VAL  QQG     8 GLU  H       5.40            #peak   317 #SUP  0.68  #QF  0.57
  8 GLU  QB      9 LYS  H       3.68            #peak   320 #SUP  0.97  #QF  0.42
 12 LEU  HB2    13 TYR  H       4.17            #peak   326 #SUP  0.94  #QF  0.76
 17 SER  H      18 ARG  H       3.65            #peak   328 #SUP  0.92  #QF  0.75
 18 ARG  H      19 TYR  H       4.01            #peak   328 #SUP  0.92  #QF  0.75
 16 THR  HB     17 SER  HB3     4.55            #peak   355 #SUP  0.81  #QF  0.81
 16 THR  HB     17 SER  HB2     4.55            #peak   356 #SUP  0.79  #QF  0.79
 15 LEU  H      15 LEU  QB      3.44            #peak   360 #SUP  0.98  #QF  0.96
 15 LEU  H      15 LEU  HG      3.65            #peak   360 #SUP  0.98  #QF  0.96
 19 TYR  QE     20 ARG  QG      4.71            #peak   361 #SUP  0.60  #QF  0.60
 24 ALA  HA     25 PHE  QR      4.94            #peak   370 #SUP  0.74  #QF  0.74
  5 VAL  HA     13 TYR  QE      5.34            #peak   391 #SUP  0.63  #QF  0.63
 26 GLU  HB2    30 PHE  QE      4.92            #peak   395 #SUP  0.53  #QF  0.53
 22 TYR  H      23 ALA  QB      4.88            #peak   401 #SUP  0.91  #QF  0.57
 23 ALA  QB     25 PHE  H       5.27            #peak   401 #SUP  0.91  #QF  0.57
 15 LEU  QB     16 THR  H       4.57            #peak   402 #SUP  0.57  #QF  0.57
  1 TYR  QB      2 ALA  QB      4.84            #peak   403 #SUP  0.78  #QF  0.78
 28 ALA  QB     30 PHE  QD      4.75            #peak   414 #SUP  0.48  #QF  0.48
 12 LEU  H      12 LEU  HG      4.25            #peak   416 #SUP  0.96  #QF  0.83
 13 TYR  QD     14 ARG  H       4.28            #peak   421 #SUP  0.86  #QF  0.24
 17 SER  H      18 ARG  QD      5.17            #peak   424 #SUP  0.78  #QF  0.33
 18 ARG  QD     19 TYR  H       5.80            #peak   424 #SUP  0.78  #QF  0.33
  8 GLU  H      13 TYR  QE      6.00            #peak   425 #SUP  0.72  #QF  0.72
  7 GLN  HA      7 GLN  QG      3.89            #peak   427 #SUP  0.99  #QF  0.97
  7 GLN  QG      8 GLU  HA      4.34            #peak   427 #SUP  0.99  #QF  0.97
  5 VAL  H       5 VAL  HB      4.08            #peak     1
  6 ALA  H       6 ALA  QB      3.54            #peak     2
 30 PHE  H      30 PHE  HB2     4.18            #peak     9
 30 PHE  H      30 PHE  HB3     4.18            #peak    10
 29 THR  H      29 THR  HB      3.84            #peak    11
 29 THR  H      29 THR  QG2     4.11            #peak    12
 23 ALA  H      23 ALA  QB      3.20            #peak    16
 24 ALA  HA     25 PHE  H       3.49            #peak    17
 28 ALA  H      28 ALA  QB      3.14            #peak    22
 27 ARG  H      27 ARG  QD      4.65            #peak    27
 27 ARG  H      27 ARG  HB2     3.80            #peak    28
 27 ARG  H      27 ARG  HB3     3.80            #peak    29
  8 GLU  H       8 GLU  QG      4.00            #peak    34
  8 GLU  H       8 GLU  QB      3.73            #peak    35
  7 GLN  H       7 GLN  QG      4.26            #peak    36
 26 GLU  H      26 GLU  QG      3.77            #peak    37
 26 GLU  H      26 GLU  HB2     3.59            #peak    38
 10 GLY  H      13 TYR  QB      4.45            #peak    45
 28 ALA  QB     29 THR  H       3.93            #peak    46
 24 ALA  QB     25 PHE  H       3.67            #peak    47
 24 ALA  H      25 PHE  H       3.52            #peak    48
  5 VAL  QQG     6 ALA  H       4.37            #peak    49
 25 PHE  HA     27 ARG  H       4.71            #peak    51
 25 PHE  HB3    26 GLU  H       4.07            #peak    52
 25 PHE  HB2    26 GLU  H       4.07            #peak    53
 26 GLU  QG     27 ARG  H       4.70            #peak    54
  9 LYS  QB     10 GLY  H       4.07            #peak    56
 23 ALA  HA     25 PHE  H       4.49            #peak    57
 29 THR  QG2    30 PHE  H       4.49            #peak    58
 26 GLU  HB3    27 ARG  H       4.22            #peak    59
 26 GLU  HB2    27 ARG  H       4.22            #peak    60
  5 VAL  HA      8 GLU  H       4.71            #peak    61
 21 HIS  H      21 HIS  HB2     4.02            #peak    62
 21 HIS  H      21 HIS  HB3     4.02            #peak    63
 19 TYR  H      19 TYR  HB2     3.85            #peak    64
 19 TYR  H      19 TYR  HB3     3.85            #peak    65
 17 SER  H      17 SER  HB2     3.81            #peak    67
 17 SER  H      17 SER  HB3     3.81            #peak    68
 17 SER  HB2    18 ARG  H       4.48            #peak    73
 17 SER  HB3    18 ARG  H       4.48            #peak    74
 19 TYR  HA     23 ALA  H       4.82            #peak    75
 20 ARG  HA     23 ALA  H       4.46            #peak    76
 19 TYR  HB3    20 ARG  H       4.48            #peak    77
 20 ARG  H      20 ARG  HB2     3.95            #peak    78
 20 ARG  H      20 ARG  HB3     3.95            #peak    79
 20 ARG  H      20 ARG  QG      4.00            #peak    80
 18 ARG  H      18 ARG  HB2     3.89            #peak    81
 18 ARG  H      18 ARG  HB3     3.89            #peak    82
 18 ARG  H      18 ARG  HG2     4.47            #peak    83
 19 TYR  QD     20 ARG  QD      4.45            #peak    90
 15 LEU  QQD    19 TYR  QD      4.35            #peak    91
 15 LEU  QQD    19 TYR  QE      4.12            #peak    92
 19 TYR  QD     23 ALA  QB      4.31            #peak    93
 19 TYR  QE     23 ALA  QB      4.01            #peak    94
 19 TYR  QD     20 ARG  QG      3.96            #peak    95
 19 TYR  QD     20 ARG  HA      4.27            #peak    97
 14 ARG  HA     19 TYR  QD      4.23            #peak    98
 14 ARG  HA     19 TYR  QE      5.02            #peak   100
 19 TYR  HA     19 TYR  QD      3.39            #peak   102
 24 ALA  QB     25 PHE  QR      4.10            #peak   106
 25 PHE  HA     25 PHE  QR      3.54            #peak   107
 30 PHE  HA     30 PHE  QD      4.12            #peak   109
 20 ARG  QG     20 ARG  HE      3.99            #peak   110
 20 ARG  HB3    20 ARG  HE      4.81            #peak   111
 20 ARG  HB2    20 ARG  HE      4.81            #peak   112
 21 HIS  HA     21 HIS  HD2     4.59            #peak   116
 21 HIS  HA     24 ALA  H       4.80            #peak   118
 19 TYR  HA     22 TYR  H       4.53            #peak   119
 24 ALA  H      24 ALA  QB      3.10            #peak   120
 14 ARG  HB3    14 ARG  HE      4.37            #peak   123
 14 ARG  HB2    14 ARG  HE      4.37            #peak   124
 13 TYR  QD     14 ARG  QG      4.26            #peak   126
  9 LYS  QB     13 TYR  QD      4.10            #peak   127
  9 LYS  QB     13 TYR  QE      4.40            #peak   128
 13 TYR  QE     14 ARG  QG      4.50            #peak   129
 13 TYR  HA     13 TYR  QD      3.40            #peak   133
  4 LYS  H       5 VAL  H       4.03            #peak   135
 25 PHE  H      26 GLU  H       3.45            #peak   136
 23 ALA  H      24 ALA  H       3.75            #peak   137
 22 TYR  H      23 ALA  H       3.60            #peak   138
 21 HIS  H      22 TYR  H       3.83            #peak   139
 11 PHE  HA     11 PHE  QD      3.33            #peak   143
 11 PHE  QD     12 LEU  HG      3.81            #peak   144
 11 PHE  QD     15 LEU  QQD     3.29            #peak   146
 11 PHE  QE     15 LEU  QQD     3.90            #peak   147
 11 PHE  QD     12 LEU  HA      3.96            #peak   148
 13 TYR  QD     14 ARG  HA      4.08            #peak   149
 22 TYR  HA     22 TYR  QD      3.34            #peak   150
 19 TYR  HA     22 TYR  QD      4.00            #peak   151
  9 LYS  H       9 LYS  QB      3.49            #peak   152
 22 TYR  HA     22 TYR  QE      4.50            #peak   155
 19 TYR  HA     22 TYR  QE      4.80            #peak   156
 18 ARG  HA     21 HIS  HD2     4.82            #peak   157
 13 TYR  H      13 TYR  QB      3.28            #peak   163
 12 LEU  H      13 TYR  H       4.38            #peak   164
  9 LYS  H      10 GLY  H       3.57            #peak   165
 29 THR  H      30 PHE  H       3.56            #peak   167
 28 ALA  H      29 THR  H       3.70            #peak   168
  1 TYR  HA      1 TYR  QD      3.91            #peak   176
 12 LEU  HB3    13 TYR  H       4.01            #peak   179
 23 ALA  QB     24 ALA  H       3.66            #peak   180
 18 ARG  H      18 ARG  HG3     4.47            #peak   181
 25 PHE  QR     28 ALA  QB      4.48            #peak   182
 18 ARG  HB3    19 TYR  H       4.22            #peak   184
 29 THR  HA     29 THR  HB      2.74            #peak   190
 29 THR  HA     29 THR  QG2     3.52            #peak   191
  4 LYS  HA      4 LYS  QD      4.34            #peak   195
  5 VAL  HA      5 VAL  QQG     3.34            #peak   196
 27 ARG  HB2    27 ARG  QD      3.88            #peak   211
 27 ARG  HB3    27 ARG  QD      3.88            #peak   212
 15 LEU  HA     15 LEU  QQD     3.26            #peak   222
 12 LEU  HA     12 LEU  QD2     4.10            #peak   225
  9 LYS  QB      9 LYS  QE      4.40            #peak   239
  9 LYS  HG2     9 LYS  QE      4.16            #peak   240
  9 LYS  HG3     9 LYS  QE      4.16            #peak   241
 14 ARG  HB3    14 ARG  HD2     3.99            #peak   246
 14 ARG  HB2    14 ARG  HD2     3.99            #peak   249
 14 ARG  HA     19 TYR  HB2     4.18            #peak   252
 18 ARG  HA     18 ARG  HG2     3.87            #peak   255
 18 ARG  HA     18 ARG  QD      3.00            #peak   256
 18 ARG  HB3    18 ARG  QD      3.94            #peak   258
 18 ARG  HA     18 ARG  HG3     3.87            #peak   260
 20 ARG  HA     20 ARG  QG      3.69            #peak   262
 20 ARG  HA     20 ARG  QD      4.06            #peak   265
 14 ARG  HB2    14 ARG  HD3     3.99            #peak   267
 14 ARG  HB3    14 ARG  HD3     3.99            #peak   268
  5 VAL  QQG     6 ALA  HA      3.96            #peak   270
 20 ARG  HA     23 ALA  QB      3.90            #peak   271
 17 SER  HA     20 ARG  QD      3.96            #peak   272
 17 SER  HA     20 ARG  QG      4.05            #peak   274
 29 THR  QG2    30 PHE  QD      4.56            #peak   277
 26 GLU  HB3    30 PHE  QE      4.92            #peak   279
 28 ALA  QB     30 PHE  H       4.70            #peak   286
  4 LYS  H       4 LYS  HG2     4.86            #peak   290
  5 VAL  QQG    13 TYR  QD      4.69            #peak   294
 13 TYR  QE     14 ARG  HA      4.78            #peak   298
 14 ARG  HA     19 TYR  HB3     4.18            #peak   303
 12 LEU  HB3    15 LEU  QQD     3.32            #peak   308
  5 VAL  H       5 VAL  QQG     3.90            #peak   319
  2 ALA  H       2 ALA  QB      3.61            #peak   321
 23 ALA  HA     26 GLU  QG      4.49            #peak   322
 18 ARG  HA     21 HIS  H       4.66            #peak   324
 16 THR  HB     18 ARG  H       4.78            #peak   325
 20 ARG  HA     22 TYR  H       5.06            #peak   329
 28 ALA  HA     30 PHE  H       4.93            #peak   330
 22 TYR  HA     24 ALA  H       4.88            #peak   331
 19 TYR  HA     21 HIS  H       4.67            #peak   332
 18 ARG  H      18 ARG  QD      4.78            #peak   334
 23 ALA  HA     27 ARG  H       4.75            #peak   335
 17 SER  HA     20 ARG  H       4.36            #peak   337
 21 HIS  HA     21 HIS  HE1     4.94            #peak   338
 18 ARG  HG2    22 TYR  QE      4.75            #peak   339
 12 LEU  HA     15 LEU  QQD     3.75            #peak   345
  7 GLN  QG      8 GLU  QG      3.95            #peak   348
  6 ALA  HA     14 ARG  HE      4.72            #peak   349
 22 TYR  HA     25 PHE  QR      4.68            #peak   350
 11 PHE  HA     11 PHE  QE      4.83            #peak   352
  1 TYR  QD      5 VAL  QQG     4.99            #peak   362
  9 LYS  QE     13 TYR  QE      4.81            #peak   371
 24 ALA  QB     28 ALA  HA      4.31            #peak   374
  3 GLU  HA      3 GLU  QG      4.09            #peak   376
  1 TYR  QD      2 ALA  HA      4.95            #peak   388
 19 TYR  HB2    20 ARG  H       4.48            #peak   392
  1 TYR  QE     23 ALA  QB      4.99            #peak   399
  5 VAL  QQG    13 TYR  QE      4.90            #peak   400
  3 GLU  H       4 LYS  H       4.72            #peak   405
  3 GLU  H       6 ALA  QB      4.90            #peak   409
  5 VAL  H       6 ALA  QB      4.90            #peak   411
 22 TYR  H      22 TYR  QD      4.00            #peak   418
 19 TYR  H      19 TYR  QD      4.25            #peak   419
 13 TYR  H      13 TYR  QD      4.33            #peak   420
 19 TYR  QD     20 ARG  H       4.48            #peak   422
 19 TYR  QE     20 ARG  HA      4.81            #peak   423
 29 THR  QG2    30 PHE  QE      4.57            #peak   426
 15 LEU  H      15 LEU  QQD     4.29            #peak   428
 29 THR  HB     30 PHE  H       3.76            #peak   429
  1 TYR  QD     27 ARG  QG      4.44            #peak   311
  4 LYS  H       4 LYS  QB      3.63            #peak   326
  4 LYS  H       4 LYS  QG      4.14            #peak   290
  4 LYS  HA      4 LYS  QG      3.70            #peak   314
  7 GLN  QB      8 GLU  H       3.83            #peak   174
  9 LYS  HA      9 LYS  QG      3.57            #peak   242
  9 LYS  QG     10 GLY  H       4.82            #peak   410
  9 LYS  QG     13 TYR  QE      4.42            #peak   160
  9 LYS  QD     13 TYR  QD      4.87            #peak   398
 11 PHE  HA     14 ARG  QD      4.35            #peak   407
 11 PHE  QB     12 LEU  HA      5.04            #peak   302
 11 PHE  QD     12 LEU  QQD     3.53            #peak   145
 11 PHE  QD     14 ARG  QB      4.44            #peak   278
 11 PHE  QE     12 LEU  QQD     4.70            #peak   307
 12 LEU  H      12 LEU  QQD     5.03            #peak   408
 12 LEU  HA     12 LEU  QQD     3.19            #peak   225
 13 TYR  QD     14 ARG  QB      4.27            #peak   130
 13 TYR  QE     14 ARG  QB      5.73            #peak   341
 14 ARG  HA     19 TYR  QB      3.57            #peak   252
 14 ARG  QB     14 ARG  QD      3.11            #peak   268
 14 ARG  QB     15 LEU  HA      4.52            #peak   300
 17 SER  HA     20 ARG  QB      3.73            #peak   273
 17 SER  QB     18 ARG  H       3.94            #peak    74
 18 ARG  H      18 ARG  QB      3.36            #peak    81
 18 ARG  H      18 ARG  QG      3.92            #peak    83
 18 ARG  HA     21 HIS  QB      4.03            #peak   406
 18 ARG  QB     18 ARG  QD      3.45            #peak   258
 18 ARG  QB     22 TYR  QE      4.76            #peak   340
 19 TYR  QB     20 ARG  H       3.81            #peak   392
 19 TYR  QB     22 TYR  QD      4.44            #peak   113
 19 TYR  QD     20 ARG  QB      4.94            #peak    96
 19 TYR  QD     22 TYR  QB      4.79            #peak   412
 20 ARG  H      20 ARG  QB      3.44            #peak    78
 20 ARG  QB     20 ARG  HE      4.19            #peak   112
 21 HIS  QB     22 TYR  QD      4.97            #peak   113
 21 HIS  QB     22 TYR  QE      4.88            #peak   413
 22 TYR  H      22 TYR  QB      3.19            #peak    20
 22 TYR  HA     26 GLU  QB      4.18            #peak   357
 22 TYR  QB     23 ALA  H       4.02            #peak   342
 22 TYR  QB     24 ALA  H       4.88            #peak   393
 23 ALA  HA     26 GLU  QB      4.19            #peak   301
 23 ALA  HA     27 ARG  QB      4.15            #peak   363
 25 PHE  H      25 PHE  QB      3.45            #peak    19
 26 GLU  H      26 GLU  QB      3.04            #peak    39
 26 GLU  QB     30 PHE  QE      4.15            #peak   279
 27 ARG  H      27 ARG  QB      3.26            #peak    29
 27 ARG  H      27 ARG  QG      3.60            #peak    30
 27 ARG  HA     27 ARG  QG      3.45            #peak   217
 27 ARG  QB     27 ARG  HE      4.78            #peak   396
 30 PHE  H      30 PHE  QB      3.45            #peak    10
  12   LEU  PHI     -78.7   -38.7
  12   LEU  PSI     -62.0   -22.0
  13   TYR  PHI     -80.8   -40.8
  13   TYR  PSI     -62.3   -22.3
  14   ARG  PHI     -82.7   -42.7
  14   ARG  PSI     -62.3   -18.7
  18   ARG  PHI     -86.7   -46.7
  18   ARG  PSI     -59.4   -19.4
  19   TYR  PHI    -102.3   -42.4
  19   TYR  PSI     -67.0    -1.1
  20   ARG  PHI     -82.3   -42.3
  20   ARG  PSI     -61.7   -17.7
  21   HIS  PHI     -88.2   -48.2
  21   HIS  PSI     -69.2    12.4
  22   TYR  PHI     -83.1   -43.1
  22   TYR  PSI     -60.2   -20.2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   TYR   1           H        TYR   1   1.807   0.001   0.855
    2    HA   TYR   1           HA       TYR   1   2.230   1.028  -1.546
    3    HB2  TYR   1           2HB      TYR   1   3.901  -0.236  -0.120
    4    HB3  TYR   1           3HB      TYR   1   3.343  -1.707  -0.911
    5    HD1  TYR   1           HD2      TYR   1   3.990   1.684  -2.323
    6    HD2  TYR   1           HD1      TYR   1   5.104  -2.422  -2.246
    7    HE1  TYR   1           HE2      TYR   1   5.567   2.083  -4.168
    8    HE2  TYR   1           HE1      TYR   1   6.685  -2.033  -4.091
    9    HH   TYR   1           HH       TYR   1   6.875   1.087  -5.720
   10    H    ALA   2           H        ALA   2   1.963   0.587  -3.701
   11    HA   ALA   2           HA       ALA   2   0.415  -1.817  -4.400
   12    HB1  ALA   2           1HB      ALA   2  -0.667   0.703  -4.348
   13    HB2  ALA   2           2HB      ALA   2  -0.213   0.510  -6.041
   14    HB3  ALA   2           3HB      ALA   2  -1.285  -0.663  -5.276
   15    H    GLU   3           H        GLU   3   0.594  -2.469  -6.640
   16    HA   GLU   3           HA       GLU   3   3.244  -1.847  -7.713
   17    HB2  GLU   3           2HB      GLU   3   1.303  -4.089  -8.283
   18    HB3  GLU   3           3HB      GLU   3   2.803  -3.857  -9.170
   19    HG2  GLU   3           2HG      GLU   3   4.116  -4.299  -7.263
   20    HG3  GLU   3           3HG      GLU   3   2.725  -4.174  -6.187
   21    H    LYS   4           H        LYS   4   1.150   0.076  -8.016
   22    HA   LYS   4           HA       LYS   4   0.207  -0.120 -10.746
   23    HB2  LYS   4           2HB      LYS   4  -0.970   0.988  -8.686
   24    HB3  LYS   4           3HB      LYS   4   0.030   2.376  -9.097
   25    HG2  LYS   4           2HG      LYS   4  -0.927   2.173 -11.444
   26    HG3  LYS   4           3HG      LYS   4  -2.114   1.072 -10.741
   27    HD2  LYS   4           2HD      LYS   4  -1.661   3.735  -9.470
   28    HD3  LYS   4           3HD      LYS   4  -2.625   3.637 -10.945
   29    HE2  LYS   4           2HE      LYS   4  -4.164   3.481  -9.167
   30    HE3  LYS   4           3HE      LYS   4  -3.973   1.838  -9.776
   31    HZ1  LYS   4           3HZ      LYS   4  -3.820   2.453  -7.208
   32    HZ2  LYS   4           1HZ      LYS   4  -2.189   2.631  -7.620
   33    HZ3  LYS   4           2HZ      LYS   4  -2.973   1.157  -7.889
   34    H    VAL   5           H        VAL   5   2.036   2.412  -9.019
   35    HA   VAL   5           HA       VAL   5   3.021   3.651 -11.335
   36    HB   VAL   5           HB       VAL   5   3.017   4.822  -9.218
   37   HG11  VAL   5          1HG1      VAL   5   3.434   2.955  -7.726
   38   HG12  VAL   5          2HG1      VAL   5   5.082   2.806  -8.339
   39   HG13  VAL   5          3HG1      VAL   5   4.603   4.241  -7.431
   40   HG21  VAL   5          3HG2      VAL   5   4.981   4.964 -11.070
   41   HG22  VAL   5          1HG2      VAL   5   4.850   6.048  -9.685
   42   HG23  VAL   5          2HG2      VAL   5   5.930   4.655  -9.617
   43    H    ALA   6           H        ALA   6   4.126   0.884  -9.549
   44    HA   ALA   6           HA       ALA   6   6.796   0.794 -10.422
   45    HB1  ALA   6           1HB      ALA   6   4.873  -1.215  -9.350
   46    HB2  ALA   6           2HB      ALA   6   6.400  -1.767 -10.040
   47    HB3  ALA   6           3HB      ALA   6   6.401  -0.646  -8.678
   48    H    GLN   7           H        GLN   7   4.205  -1.380 -11.549
   49    HA   GLN   7           HA       GLN   7   5.522  -2.227 -13.850
   50    HB2  GLN   7           2HB      GLN   7   3.360  -3.051 -14.608
   51    HB3  GLN   7           3HB      GLN   7   3.569  -3.374 -12.892
   52    HG2  GLN   7           2HG      GLN   7   2.271  -1.165 -12.561
   53    HG3  GLN   7           3HG      GLN   7   1.772  -1.403 -14.235
   54   HE21  GLN   7          1HE2      GLN   7  -0.323  -1.901 -13.976
   55   HE22  GLN   7          2HE2      GLN   7  -0.908  -3.256 -13.078
   56    H    GLU   8           H        GLU   8   3.734   0.674 -13.223
   57    HA   GLU   8           HA       GLU   8   3.012   1.446 -15.797
   58    HB2  GLU   8           2HB      GLU   8   3.589   2.884 -13.256
   59    HB3  GLU   8           3HB      GLU   8   3.523   3.838 -14.731
   60    HG2  GLU   8           2HG      GLU   8   1.325   1.971 -13.894
   61    HG3  GLU   8           3HG      GLU   8   1.385   3.668 -13.419
   62    H    LYS   9           H        LYS   9   5.918   2.486 -14.005
   63    HA   LYS   9           HA       LYS   9   7.162   3.720 -16.201
   64    HB2  LYS   9           2HB      LYS   9   7.679   3.838 -13.638
   65    HB3  LYS   9           3HB      LYS   9   8.751   2.486 -13.979
   66    HG2  LYS   9           2HG      LYS   9  10.130   4.347 -14.129
   67    HG3  LYS   9           3HG      LYS   9   9.740   3.980 -15.810
   68    HD2  LYS   9           2HD      LYS   9   9.461   6.292 -15.670
   69    HD3  LYS   9           3HD      LYS   9   7.818   5.664 -15.515
   70    HE2  LYS   9           2HE      LYS   9   8.054   5.824 -13.046
   71    HE3  LYS   9           3HE      LYS   9   9.627   6.585 -13.283
   72    HZ1  LYS   9           3HZ      LYS   9   7.828   8.195 -12.922
   73    HZ2  LYS   9           1HZ      LYS   9   7.060   7.652 -14.328
   74    HZ3  LYS   9           2HZ      LYS   9   8.573   8.400 -14.426
   75    H    GLY  10           H        GLY  10   8.171   0.678 -14.622
   76    HA2  GLY  10           2HA      GLY  10   8.211  -0.964 -16.836
   77    HA3  GLY  10           3HA      GLY  10   9.751  -0.117 -16.863
   78    H    PHE  11           H        PHE  11  11.152  -1.703 -16.339
   79    HA   PHE  11           HA       PHE  11  10.600  -3.307 -13.943
   80    HB2  PHE  11           2HB      PHE  11  11.124  -4.500 -16.077
   81    HB3  PHE  11           3HB      PHE  11  12.719  -3.756 -16.052
   82    HD1  PHE  11           HD1      PHE  11  14.355  -4.386 -14.336
   83    HD2  PHE  11           HD2      PHE  11  10.585  -6.335 -14.656
   84    HE1  PHE  11           HE1      PHE  11  15.196  -6.232 -12.943
   85    HE2  PHE  11           HE2      PHE  11  11.419  -8.184 -13.263
   86    HZ   PHE  11           HZ       PHE  11  13.727  -8.134 -12.404
   87    H    LEU  12           H        LEU  12  13.312  -1.610 -15.514
   88    HA   LEU  12           HA       LEU  12  15.136  -1.717 -13.443
   89    HB2  LEU  12           2HB      LEU  12  14.718   0.611 -15.311
   90    HB3  LEU  12           3HB      LEU  12  16.195   0.222 -14.431
   91    HG   LEU  12           HG       LEU  12  15.016  -1.608 -16.510
   92   HD11  LEU  12          1HD1      LEU  12  17.135  -0.518 -17.753
   93   HD12  LEU  12          2HD1      LEU  12  16.571   0.876 -16.832
   94   HD13  LEU  12          3HD1      LEU  12  15.481   0.060 -17.953
   95   HD21  LEU  12          3HD2      LEU  12  16.538  -2.826 -15.263
   96   HD22  LEU  12          1HD2      LEU  12  17.590  -1.435 -14.996
   97   HD23  LEU  12          2HD2      LEU  12  17.538  -2.210 -16.579
   98    H    TYR  13           H        TYR  13  12.398   0.434 -13.878
   99    HA   TYR  13           HA       TYR  13  12.996   2.364 -11.959
  100    HB2  TYR  13           2HB      TYR  13  11.163   2.722 -13.461
  101    HB3  TYR  13           3HB      TYR  13  10.341   1.272 -12.898
  102    HD1  TYR  13           HD2      TYR  13  11.185   4.754 -12.094
  103    HD2  TYR  13           HD1      TYR  13   9.074   1.277 -10.845
  104    HE1  TYR  13           HE2      TYR  13   9.958   6.099 -10.440
  105    HE2  TYR  13           HE1      TYR  13   7.840   2.614  -9.189
  106    HH   TYR  13           HH       TYR  13   8.748   5.767  -8.329
  107    H    ARG  14           H        ARG  14  11.310  -0.737 -11.616
  108    HA   ARG  14           HA       ARG  14  10.562  -0.536  -8.949
  109    HB2  ARG  14           2HB      ARG  14  11.149  -2.807 -10.790
  110    HB3  ARG  14           3HB      ARG  14  10.992  -3.154  -9.073
  111    HG2  ARG  14           2HG      ARG  14   8.784  -1.729  -9.352
  112    HG3  ARG  14           3HG      ARG  14   8.947  -2.263 -11.026
  113    HD2  ARG  14           2HD      ARG  14   9.337  -4.605  -9.886
  114    HD3  ARG  14           3HD      ARG  14   8.454  -3.854  -8.557
  115    HE   ARG  14           HE       ARG  14   7.125  -3.520 -11.061
  116   HH11  ARG  14          1HH1      ARG  14   7.683  -5.756  -8.451
  117   HH12  ARG  14          2HH1      ARG  14   6.208  -6.627  -8.709
  118   HH21  ARG  14          1HH2      ARG  14   5.179  -4.659 -11.409
  119   HH22  ARG  14          2HH2      ARG  14   4.785  -6.003 -10.392
  120    H    LEU  15           H        LEU  15  13.678  -1.183 -10.364
  121    HA   LEU  15           HA       LEU  15  14.890  -2.152  -7.953
  122    HB2  LEU  15           2HB      LEU  15  16.324  -0.995 -10.327
  123    HB3  LEU  15           3HB      LEU  15  16.927  -2.166  -9.155
  124    HG   LEU  15           HG       LEU  15  14.750  -2.725 -11.167
  125   HD11  LEU  15          1HD1      LEU  15  16.769  -2.365 -12.380
  126   HD12  LEU  15          2HD1      LEU  15  16.517  -4.107 -12.269
  127   HD13  LEU  15          3HD1      LEU  15  17.701  -3.319 -11.226
  128   HD21  LEU  15          3HD2      LEU  15  15.162  -5.064 -10.548
  129   HD22  LEU  15          1HD2      LEU  15  14.602  -4.107  -9.177
  130   HD23  LEU  15          2HD2      LEU  15  16.309  -4.529  -9.319
  131    H    THR  16           H        THR  16  14.086  -0.361  -6.596
  132    HA   THR  16           HA       THR  16  16.082   1.776  -6.496
  133    HB   THR  16           HB       THR  16  14.096   3.324  -5.795
  134    HG1  THR  16           HG1      THR  16  12.799   1.396  -7.450
  135   HG21  THR  16          3HG2      THR  16  13.682   3.618  -8.427
  136   HG22  THR  16          1HG2      THR  16  15.126   2.607  -8.477
  137   HG23  THR  16          2HG2      THR  16  15.160   4.151  -7.625
  138    H    SER  17           H        SER  17  16.216   2.827  -4.409
  139    HA   SER  17           HA       SER  17  16.268   1.088  -2.261
  140    HB2  SER  17           2HB      SER  17  17.268   3.516  -2.613
  141    HB3  SER  17           3HB      SER  17  15.822   3.994  -1.724
  142    HG   SER  17           HG       SER  17  18.074   2.655  -0.857
  143    H    ARG  18           H        ARG  18  13.806   3.538  -3.027
  144    HA   ARG  18           HA       ARG  18  12.134   3.199  -0.858
  145    HB2  ARG  18           2HB      ARG  18  11.704   4.036  -3.690
  146    HB3  ARG  18           3HB      ARG  18  10.293   3.727  -2.688
  147    HG2  ARG  18           2HG      ARG  18  10.630   5.996  -2.423
  148    HG3  ARG  18           3HG      ARG  18  11.424   5.317  -1.001
  149    HD2  ARG  18           2HD      ARG  18  13.529   5.787  -1.783
  150    HD3  ARG  18           3HD      ARG  18  13.032   5.719  -3.473
  151    HE   ARG  18           HE       ARG  18  12.572   7.956  -3.385
  152   HH11  ARG  18          1HH1      ARG  18  12.795   6.718  -0.139
  153   HH12  ARG  18          2HH1      ARG  18  12.697   8.281   0.603
  154   HH21  ARG  18          1HH2      ARG  18  12.442  10.019  -2.420
  155   HH22  ARG  18          2HH2      ARG  18  12.495  10.157  -0.695
  156    H    TYR  19           H        TYR  19  12.089   1.425  -3.939
  157    HA   TYR  19           HA       TYR  19   9.898  -0.226  -3.340
  158    HB2  TYR  19           2HB      TYR  19  10.630  -0.052  -5.611
  159    HB3  TYR  19           3HB      TYR  19  12.246  -0.612  -5.198
  160    HD1  TYR  19           HD1      TYR  19   8.712  -1.665  -5.510
  161    HD2  TYR  19           HD2      TYR  19  12.758  -2.924  -5.131
  162    HE1  TYR  19           HE1      TYR  19   8.035  -3.973  -6.022
  163    HE2  TYR  19           HE2      TYR  19  12.093  -5.236  -5.644
  164    HH   TYR  19           HH       TYR  19   9.845  -6.600  -5.399
  165    H    ARG  20           H        ARG  20  13.382  -0.718  -2.890
  166    HA   ARG  20           HA       ARG  20  13.205  -3.347  -1.884
  167    HB2  ARG  20           2HB      ARG  20  15.296  -1.193  -1.605
  168    HB3  ARG  20           3HB      ARG  20  15.488  -2.787  -0.887
  169    HG2  ARG  20           2HG      ARG  20  15.828  -3.804  -2.888
  170    HG3  ARG  20           3HG      ARG  20  14.807  -2.664  -3.767
  171    HD2  ARG  20           2HD      ARG  20  16.621  -1.563  -4.417
  172    HD3  ARG  20           3HD      ARG  20  16.997  -1.208  -2.731
  173    HE   ARG  20           HE       ARG  20  18.268  -3.154  -4.416
  174   HH11  ARG  20          1HH1      ARG  20  17.520  -2.276  -1.131
  175   HH12  ARG  20          2HH1      ARG  20  18.844  -3.166  -0.454
  176   HH21  ARG  20          1HH2      ARG  20  20.014  -4.329  -3.537
  177   HH22  ARG  20          2HH2      ARG  20  20.263  -4.332  -1.824
  178    H    HIS  21           H        HIS  21  12.724  -0.233  -0.429
  179    HA   HIS  21           HA       HIS  21  13.021  -1.061   2.282
  180    HB2  HIS  21           2HB      HIS  21  12.934   1.353   1.116
  181    HB3  HIS  21           3HB      HIS  21  11.254   1.238   1.632
  182    HD1  HIS  21           HD1      HIS  21  14.312   0.053   3.537
  183    HD2  HIS  21           HD2      HIS  21  11.267   2.866   3.816
  184    HE1  HIS  21           HE1      HIS  21  14.569   1.099   5.809
  185    H    TYR  22           H        TYR  22  10.094  -0.133   0.460
  186    HA   TYR  22           HA       TYR  22   8.239  -1.013   2.332
  187    HB2  TYR  22           2HB      TYR  22   7.887  -1.016  -0.672
  188    HB3  TYR  22           3HB      TYR  22   6.606  -0.961   0.534
  189    HD1  TYR  22           HD1      TYR  22   7.235   1.059   2.374
  190    HD2  TYR  22           HD2      TYR  22   8.116   0.981  -1.788
  191    HE1  TYR  22           HE1      TYR  22   7.314   3.517   2.351
  192    HE2  TYR  22           HE2      TYR  22   8.199   3.439  -1.822
  193    HH   TYR  22           HH       TYR  22   8.007   5.326   1.127
  194    H    ALA  23           H        ALA  23  10.153  -2.807   0.080
  195    HA   ALA  23           HA       ALA  23   8.562  -5.170   0.028
  196    HB1  ALA  23           1HB      ALA  23  10.076  -4.852  -1.764
  197    HB2  ALA  23           2HB      ALA  23  11.441  -4.641  -0.667
  198    HB3  ALA  23           3HB      ALA  23  10.683  -6.224  -0.837
  199    H    ALA  24           H        ALA  24  10.894  -3.868   2.229
  200    HA   ALA  24           HA       ALA  24  11.402  -6.388   3.555
  201    HB1  ALA  24           1HB      ALA  24  13.169  -4.718   3.432
  202    HB2  ALA  24           2HB      ALA  24  12.170  -3.578   4.335
  203    HB3  ALA  24           3HB      ALA  24  12.742  -5.055   5.110
  204    H    PHE  25           H        PHE  25   9.344  -3.588   3.976
  205    HA   PHE  25           HA       PHE  25   8.438  -4.518   6.586
  206    HB2  PHE  25           2HB      PHE  25   7.789  -2.054   4.962
  207    HB3  PHE  25           3HB      PHE  25   7.019  -2.431   6.500
  208    HD1  PHE  25           HD1      PHE  25   8.254  -2.288   8.578
  209    HD2  PHE  25           HD2      PHE  25  10.088  -1.338   4.857
  210    HE1  PHE  25           HE1      PHE  25  10.105  -1.194   9.774
  211    HE2  PHE  25           HE2      PHE  25  11.942  -0.244   6.046
  212    HZ   PHE  25           HZ       PHE  25  11.953  -0.171   8.508
  213    H    GLU  26           H        GLU  26   6.732  -3.375   3.668
  214    HA   GLU  26           HA       GLU  26   4.271  -4.488   4.215
  215    HB2  GLU  26           2HB      GLU  26   5.488  -4.244   1.460
  216    HB3  GLU  26           3HB      GLU  26   3.776  -4.285   1.855
  217    HG2  GLU  26           2HG      GLU  26   5.758  -2.094   2.320
  218    HG3  GLU  26           3HG      GLU  26   4.225  -2.040   1.452
  219    H    ARG  27           H        ARG  27   6.923  -5.938   2.337
  220    HA   ARG  27           HA       ARG  27   5.543  -8.526   2.481
  221    HB2  ARG  27           2HB      ARG  27   7.967  -7.890   0.808
  222    HB3  ARG  27           3HB      ARG  27   6.844  -9.230   0.625
  223    HG2  ARG  27           2HG      ARG  27   5.125  -7.235   0.281
  224    HG3  ARG  27           3HG      ARG  27   6.597  -6.412  -0.240
  225    HD2  ARG  27           2HD      ARG  27   6.929  -8.660  -1.600
  226    HD3  ARG  27           3HD      ARG  27   5.173  -8.721  -1.453
  227    HE   ARG  27           HE       ARG  27   5.871  -6.168  -2.332
  228   HH11  ARG  27          1HH1      ARG  27   5.981  -9.460  -3.458
  229   HH12  ARG  27          2HH1      ARG  27   5.847  -9.030  -5.131
  230   HH21  ARG  27          1HH2      ARG  27   5.695  -5.588  -4.531
  231   HH22  ARG  27          2HH2      ARG  27   5.686  -6.827  -5.740
  232    H    ALA  28           H        ALA  28   6.690  -7.651   4.838
  233    HA   ALA  28           HA       ALA  28   9.308  -8.311   5.381
  234    HB1  ALA  28           1HB      ALA  28   7.982  -7.256   7.055
  235    HB2  ALA  28           2HB      ALA  28   6.863  -8.619   7.111
  236    HB3  ALA  28           3HB      ALA  28   8.514  -8.808   7.702
  237    H    THR  29           H        THR  29   6.588 -10.492   6.133
  238    HA   THR  29           HA       THR  29   8.317 -12.773   6.251
  239    HB   THR  29           HB       THR  29   6.216 -12.500   7.618
  240    HG1  THR  29           HG1      THR  29   6.545 -14.836   6.018
  241   HG21  THR  29          3HG2      THR  29   4.089 -12.984   6.653
  242   HG22  THR  29          1HG2      THR  29   4.817 -13.393   5.100
  243   HG23  THR  29          2HG2      THR  29   4.826 -11.723   5.666
  244    H    PHE  30           H        PHE  30   6.157 -11.378   3.873
  245    HA   PHE  30           HA       PHE  30   6.797 -13.588   2.035
  246    HB2  PHE  30           2HB      PHE  30   4.774 -13.055   0.821
  247    HB3  PHE  30           3HB      PHE  30   4.378 -13.251   2.525
  248    HD1  PHE  30           HD1      PHE  30   3.802 -11.312   3.898
  249    HD2  PHE  30           HD2      PHE  30   4.549 -10.944  -0.276
  250    HE1  PHE  30           HE1      PHE  30   2.740  -9.093   3.907
  251    HE2  PHE  30           HE2      PHE  30   3.489  -8.724  -0.274
  252    HZ   PHE  30           HZ       PHE  30   2.583  -7.795   1.820
  Start of MODEL    2
    1    H1   TYR   1           H        TYR   1  -1.237  -3.445  -3.606
    2    HA   TYR   1           HA       TYR   1   0.828  -2.174  -1.946
    3    HB2  TYR   1           2HB      TYR   1   0.852  -4.697  -2.514
    4    HB3  TYR   1           3HB      TYR   1   1.367  -4.185  -4.117
    5    HD1  TYR   1           HD1      TYR   1   3.487  -2.779  -4.297
    6    HD2  TYR   1           HD2      TYR   1   2.402  -4.891  -0.766
    7    HE1  TYR   1           HE1      TYR   1   5.815  -2.653  -3.514
    8    HE2  TYR   1           HE2      TYR   1   4.727  -4.770   0.027
    9    HH   TYR   1           HH       TYR   1   7.064  -2.760  -1.428
   10    H    ALA   2           H        ALA   2  -0.040  -2.713  -5.355
   11    HA   ALA   2           HA       ALA   2   0.794  -0.031  -6.025
   12    HB1  ALA   2           1HB      ALA   2   2.138  -2.217  -7.568
   13    HB2  ALA   2           2HB      ALA   2   2.559  -0.507  -7.457
   14    HB3  ALA   2           3HB      ALA   2   2.858  -1.579  -6.089
   15    H    GLU   3           H        GLU   3  -0.029   0.691  -8.001
   16    HA   GLU   3           HA       GLU   3  -1.866  -1.179  -9.348
   17    HB2  GLU   3           2HB      GLU   3  -3.005   0.564  -7.950
   18    HB3  GLU   3           3HB      GLU   3  -2.300   1.790  -8.994
   19    HG2  GLU   3           2HG      GLU   3  -4.682   1.139  -9.483
   20    HG3  GLU   3           3HG      GLU   3  -3.565   1.095 -10.846
   21    H    LYS   4           H        LYS   4  -0.629   2.107  -9.964
   22    HA   LYS   4           HA       LYS   4   0.322   1.160 -12.586
   23    HB2  LYS   4           2HB      LYS   4  -0.335   3.302 -13.561
   24    HB3  LYS   4           3HB      LYS   4  -1.725   2.485 -12.859
   25    HG2  LYS   4           2HG      LYS   4  -0.266   4.434 -11.165
   26    HG3  LYS   4           3HG      LYS   4  -1.266   5.058 -12.478
   27    HD2  LYS   4           2HD      LYS   4  -2.432   2.982 -10.697
   28    HD3  LYS   4           3HD      LYS   4  -2.250   4.617 -10.057
   29    HE2  LYS   4           2HE      LYS   4  -3.465   4.275 -12.752
   30    HE3  LYS   4           3HE      LYS   4  -4.435   3.863 -11.339
   31    HZ1  LYS   4           3HZ      LYS   4  -3.320   6.278 -10.719
   32    HZ2  LYS   4           1HZ      LYS   4  -4.911   6.015 -11.230
   33    HZ3  LYS   4           2HZ      LYS   4  -3.719   6.433 -12.356
   34    H    VAL   5           H        VAL   5   1.691   1.564  -9.977
   35    HA   VAL   5           HA       VAL   5   3.636   3.615 -10.817
   36    HB   VAL   5           HB       VAL   5   2.498   4.171  -8.700
   37   HG11  VAL   5          1HG1      VAL   5   3.804   1.673  -7.627
   38   HG12  VAL   5          2HG1      VAL   5   2.848   2.838  -6.709
   39   HG13  VAL   5          3HG1      VAL   5   2.082   1.857  -7.959
   40   HG21  VAL   5          3HG2      VAL   5   4.373   5.082  -7.842
   41   HG22  VAL   5          1HG2      VAL   5   5.205   3.530  -7.742
   42   HG23  VAL   5          2HG2      VAL   5   5.133   4.394  -9.278
   43    H    ALA   6           H        ALA   6   3.128   0.324  -9.877
   44    HA   ALA   6           HA       ALA   6   5.956  -0.238  -9.554
   45    HB1  ALA   6           1HB      ALA   6   3.503  -1.978  -9.438
   46    HB2  ALA   6           2HB      ALA   6   5.145  -2.602  -9.272
   47    HB3  ALA   6           3HB      ALA   6   4.519  -1.443  -8.099
   48    H    GLN   7           H        GLN   7   3.412  -1.655 -11.622
   49    HA   GLN   7           HA       GLN   7   5.151  -2.890 -13.422
   50    HB2  GLN   7           2HB      GLN   7   2.852  -3.550 -13.367
   51    HB3  GLN   7           3HB      GLN   7   2.313  -1.921 -13.755
   52    HG2  GLN   7           2HG      GLN   7   2.922  -2.107 -15.978
   53    HG3  GLN   7           3HG      GLN   7   4.049  -3.426 -15.663
   54   HE21  GLN   7          1HE2      GLN   7   2.917  -4.401 -17.494
   55   HE22  GLN   7          2HE2      GLN   7   1.461  -5.282 -17.196
   56    H    GLU   8           H        GLU   8   4.152   0.407 -13.153
   57    HA   GLU   8           HA       GLU   8   4.808   1.174 -15.830
   58    HB2  GLU   8           2HB      GLU   8   4.005   2.557 -13.333
   59    HB3  GLU   8           3HB      GLU   8   4.911   3.510 -14.501
   60    HG2  GLU   8           2HG      GLU   8   2.494   1.935 -15.307
   61    HG3  GLU   8           3HG      GLU   8   2.360   3.554 -14.621
   62    H    LYS   9           H        LYS   9   6.524   2.750 -16.343
   63    HA   LYS   9           HA       LYS   9   8.720   3.321 -16.490
   64    HB2  LYS   9           2HB      LYS   9   8.728   2.854 -13.502
   65    HB3  LYS   9           3HB      LYS   9   9.933   3.754 -14.413
   66    HG2  LYS   9           2HG      LYS   9   7.032   4.533 -14.300
   67    HG3  LYS   9           3HG      LYS   9   8.250   5.138 -13.175
   68    HD2  LYS   9           2HD      LYS   9   9.549   5.805 -15.310
   69    HD3  LYS   9           3HD      LYS   9   7.993   5.618 -16.122
   70    HE2  LYS   9           2HE      LYS   9   8.296   7.307 -13.659
   71    HE3  LYS   9           3HE      LYS   9   8.634   7.949 -15.265
   72    HZ1  LYS   9           3HZ      LYS   9   6.450   7.851 -15.867
   73    HZ2  LYS   9           1HZ      LYS   9   6.267   8.146 -14.211
   74    HZ3  LYS   9           2HZ      LYS   9   6.083   6.577 -14.816
   75    H    GLY  10           H        GLY  10   7.937   0.542 -16.815
   76    HA2  GLY  10           2HA      GLY  10   8.925  -1.504 -17.133
   77    HA3  GLY  10           3HA      GLY  10  10.455  -0.642 -17.083
   78    H    PHE  11           H        PHE  11  10.992  -2.846 -16.120
   79    HA   PHE  11           HA       PHE  11  10.180  -3.250 -13.380
   80    HB2  PHE  11           2HB      PHE  11  10.540  -5.220 -14.707
   81    HB3  PHE  11           3HB      PHE  11  12.156  -4.686 -15.158
   82    HD1  PHE  11           HD1      PHE  11  10.085  -6.016 -12.427
   83    HD2  PHE  11           HD2      PHE  11  14.019  -5.024 -13.716
   84    HE1  PHE  11           HE1      PHE  11  11.019  -7.243 -10.510
   85    HE2  PHE  11           HE2      PHE  11  14.959  -6.251 -11.801
   86    HZ   PHE  11           HZ       PHE  11  13.459  -7.363 -10.196
   87    H    LEU  12           H        LEU  12  12.944  -1.967 -15.103
   88    HA   LEU  12           HA       LEU  12  14.884  -1.965 -13.141
   89    HB2  LEU  12           2HB      LEU  12  14.358   0.296 -15.061
   90    HB3  LEU  12           3HB      LEU  12  15.890  -0.105 -14.288
   91    HG   LEU  12           HG       LEU  12  14.656  -2.173 -16.022
   92   HD11  LEU  12          1HD1      LEU  12  15.822   0.406 -17.027
   93   HD12  LEU  12          2HD1      LEU  12  14.294  -0.355 -17.469
   94   HD13  LEU  12          3HD1      LEU  12  15.819  -1.073 -17.988
   95   HD21  LEU  12          3HD2      LEU  12  17.366  -1.291 -15.161
   96   HD22  LEU  12          1HD2      LEU  12  17.199  -2.158 -16.688
   97   HD23  LEU  12          2HD2      LEU  12  16.657  -2.906 -15.185
   98    H    TYR  13           H        TYR  13  12.042   0.033 -13.427
   99    HA   TYR  13           HA       TYR  13  12.766   2.091 -11.654
  100    HB2  TYR  13           2HB      TYR  13  10.858   2.403 -13.060
  101    HB3  TYR  13           3HB      TYR  13  10.075   0.960 -12.426
  102    HD1  TYR  13           HD1      TYR  13  10.880   4.476 -11.783
  103    HD2  TYR  13           HD2      TYR  13   8.954   0.995 -10.275
  104    HE1  TYR  13           HE1      TYR  13   9.721   5.851 -10.106
  105    HE2  TYR  13           HE2      TYR  13   7.789   2.361  -8.594
  106    HH   TYR  13           HH       TYR  13   8.669   5.520  -7.862
  107    H    ARG  14           H        ARG  14  11.105  -0.995 -11.108
  108    HA   ARG  14           HA       ARG  14  10.515  -0.688  -8.407
  109    HB2  ARG  14           2HB      ARG  14  11.285  -3.234  -9.847
  110    HB3  ARG  14           3HB      ARG  14  10.438  -3.139  -8.308
  111    HG2  ARG  14           2HG      ARG  14   9.070  -1.598 -10.318
  112    HG3  ARG  14           3HG      ARG  14   9.316  -3.261 -10.853
  113    HD2  ARG  14           2HD      ARG  14   7.302  -3.398  -9.724
  114    HD3  ARG  14           3HD      ARG  14   8.461  -3.884  -8.487
  115    HE   ARG  14           HE       ARG  14   7.847  -1.069  -8.496
  116   HH11  ARG  14          1HH1      ARG  14   6.957  -4.211  -7.289
  117   HH12  ARG  14          2HH1      ARG  14   6.137  -3.588  -5.896
  118   HH21  ARG  14          1HH2      ARG  14   6.771  -0.236  -6.665
  119   HH22  ARG  14          2HH2      ARG  14   6.031  -1.326  -5.542
  120    H    LEU  15           H        LEU  15  13.536  -1.341  -9.982
  121    HA   LEU  15           HA       LEU  15  14.880  -2.262  -7.610
  122    HB2  LEU  15           2HB      LEU  15  16.111  -1.268 -10.172
  123    HB3  LEU  15           3HB      LEU  15  16.867  -2.283  -8.946
  124    HG   LEU  15           HG       LEU  15  14.517  -3.168 -10.611
  125   HD11  LEU  15          1HD1      LEU  15  17.448  -3.705 -11.072
  126   HD12  LEU  15          2HD1      LEU  15  16.426  -2.661 -12.060
  127   HD13  LEU  15          3HD1      LEU  15  16.103  -4.393 -11.982
  128   HD21  LEU  15          3HD2      LEU  15  16.409  -4.523  -8.713
  129   HD22  LEU  15          1HD2      LEU  15  15.493  -5.424  -9.922
  130   HD23  LEU  15          2HD2      LEU  15  14.645  -4.496  -8.685
  131    H    THR  16           H        THR  16  13.861  -0.149  -6.606
  132    HA   THR  16           HA       THR  16  15.916   1.961  -6.743
  133    HB   THR  16           HB       THR  16  13.991   3.397  -5.718
  134    HG1  THR  16           HG1      THR  16  11.944   2.622  -6.715
  135   HG21  THR  16          3HG2      THR  16  14.588   2.665  -8.512
  136   HG22  THR  16          1HG2      THR  16  14.578   4.246  -7.732
  137   HG23  THR  16          2HG2      THR  16  13.062   3.509  -8.252
  138    H    SER  17           H        SER  17  15.892   3.320  -4.643
  139    HA   SER  17           HA       SER  17  16.604   1.583  -2.508
  140    HB2  SER  17           2HB      SER  17  17.509   3.953  -3.078
  141    HB3  SER  17           3HB      SER  17  16.125   4.530  -2.150
  142    HG   SER  17           HG       SER  17  18.054   4.247  -0.890
  143    H    ARG  18           H        ARG  18  13.806   3.610  -3.189
  144    HA   ARG  18           HA       ARG  18  12.568   3.382  -0.665
  145    HB2  ARG  18           2HB      ARG  18  11.133   3.713  -3.298
  146    HB3  ARG  18           3HB      ARG  18  10.606   4.252  -1.709
  147    HG2  ARG  18           2HG      ARG  18  12.917   5.343  -3.300
  148    HG3  ARG  18           3HG      ARG  18  11.368   6.134  -3.003
  149    HD2  ARG  18           2HD      ARG  18  11.905   5.992  -0.542
  150    HD3  ARG  18           3HD      ARG  18  13.529   5.488  -1.009
  151    HE   ARG  18           HE       ARG  18  12.944   7.853  -2.366
  152   HH11  ARG  18          1HH1      ARG  18  13.430   6.747   0.899
  153   HH12  ARG  18          2HH1      ARG  18  14.037   8.268   1.463
  154   HH21  ARG  18          1HH2      ARG  18  13.742   9.861  -1.636
  155   HH22  ARG  18          2HH2      ARG  18  14.213  10.039   0.021
  156    H    TYR  19           H        TYR  19  12.134   1.538  -3.674
  157    HA   TYR  19           HA       TYR  19  10.102  -0.156  -2.884
  158    HB2  TYR  19           2HB      TYR  19  10.828  -0.166  -5.165
  159    HB3  TYR  19           3HB      TYR  19  12.455  -0.659  -4.710
  160    HD1  TYR  19           HD2      TYR  19   8.919  -1.822  -4.682
  161    HD2  TYR  19           HD1      TYR  19  13.029  -2.922  -4.682
  162    HE1  TYR  19           HE2      TYR  19   8.282  -4.178  -4.989
  163    HE2  TYR  19           HE1      TYR  19  12.404  -5.281  -4.989
  164    HH   TYR  19           HH       TYR  19   9.164  -6.381  -4.664
  165    H    ARG  20           H        ARG  20  13.608  -0.750  -2.617
  166    HA   ARG  20           HA       ARG  20  13.474  -3.208  -1.323
  167    HB2  ARG  20           2HB      ARG  20  15.557  -1.033  -1.054
  168    HB3  ARG  20           3HB      ARG  20  15.760  -2.690  -0.502
  169    HG2  ARG  20           2HG      ARG  20  15.126  -3.201  -3.029
  170    HG3  ARG  20           3HG      ARG  20  15.797  -1.583  -3.246
  171    HD2  ARG  20           2HD      ARG  20  17.607  -3.061  -3.538
  172    HD3  ARG  20           3HD      ARG  20  17.800  -2.391  -1.919
  173    HE   ARG  20           HE       ARG  20  16.346  -4.770  -1.715
  174   HH11  ARG  20          1HH1      ARG  20  19.542  -3.685  -2.568
  175   HH12  ARG  20          2HH1      ARG  20  20.316  -5.150  -2.060
  176   HH21  ARG  20          1HH2      ARG  20  17.353  -6.703  -1.043
  177   HH22  ARG  20          2HH2      ARG  20  19.070  -6.866  -1.194
  178    H    HIS  21           H        HIS  21  12.918  -0.011  -0.116
  179    HA   HIS  21           HA       HIS  21  13.115  -0.815   2.666
  180    HB2  HIS  21           2HB      HIS  21  12.574   1.766   1.241
  181    HB3  HIS  21           3HB      HIS  21  12.160   1.607   2.945
  182    HD1  HIS  21           HD1      HIS  21  14.524   0.181   4.101
  183    HD2  HIS  21           HD2      HIS  21  14.899   3.137   1.206
  184    HE1  HIS  21           HE1      HIS  21  16.869   1.057   4.336
  185    H    TYR  22           H        TYR  22  10.716  -0.541   0.209
  186    HA   TYR  22           HA       TYR  22   8.485  -0.435   2.043
  187    HB2  TYR  22           2HB      TYR  22   8.712  -0.693  -0.950
  188    HB3  TYR  22           3HB      TYR  22   7.167  -0.837  -0.119
  189    HD1  TYR  22           HD2      TYR  22   7.166   1.210   1.872
  190    HD2  TYR  22           HD1      TYR  22   8.820   1.333  -2.047
  191    HE1  TYR  22           HE2      TYR  22   6.924   3.658   1.852
  192    HE2  TYR  22           HE1      TYR  22   8.583   3.781  -2.077
  193    HH   TYR  22           HH       TYR  22   6.730   5.470  -0.445
  194    H    ALA  23           H        ALA  23   9.865  -2.821  -0.203
  195    HA   ALA  23           HA       ALA  23   8.061  -4.898   0.517
  196    HB1  ALA  23           1HB      ALA  23   8.909  -5.523  -1.457
  197    HB2  ALA  23           2HB      ALA  23  10.393  -4.598  -1.221
  198    HB3  ALA  23           3HB      ALA  23  10.230  -6.202  -0.507
  199    H    ALA  24           H        ALA  24  10.916  -3.638   1.948
  200    HA   ALA  24           HA       ALA  24  11.432  -6.048   3.502
  201    HB1  ALA  24           1HB      ALA  24  13.398  -4.954   4.293
  202    HB2  ALA  24           2HB      ALA  24  13.290  -4.668   2.555
  203    HB3  ALA  24           3HB      ALA  24  12.841  -3.393   3.688
  204    H    PHE  25           H        PHE  25   9.058  -4.034   3.724
  205    HA   PHE  25           HA       PHE  25   9.058  -4.032   6.650
  206    HB2  PHE  25           2HB      PHE  25   8.735  -1.639   4.876
  207    HB3  PHE  25           3HB      PHE  25   7.872  -1.706   6.409
  208    HD1  PHE  25           HD1      PHE  25  11.290  -2.103   4.989
  209    HD2  PHE  25           HD2      PHE  25   8.911  -0.959   8.327
  210    HE1  PHE  25           HE1      PHE  25  13.309  -1.314   6.153
  211    HE2  PHE  25           HE2      PHE  25  10.926  -0.168   9.496
  212    HZ   PHE  25           HZ       PHE  25  13.129  -0.344   8.409
  213    H    GLU  26           H        GLU  26   7.115  -3.242   3.770
  214    HA   GLU  26           HA       GLU  26   4.592  -3.491   4.857
  215    HB2  GLU  26           2HB      GLU  26   5.744  -3.753   2.148
  216    HB3  GLU  26           3HB      GLU  26   4.171  -4.503   2.380
  217    HG2  GLU  26           2HG      GLU  26   4.509  -1.739   3.378
  218    HG3  GLU  26           3HG      GLU  26   4.466  -1.972   1.631
  219    H    ARG  27           H        ARG  27   6.800  -6.009   3.799
  220    HA   ARG  27           HA       ARG  27   5.183  -7.983   5.201
  221    HB2  ARG  27           2HB      ARG  27   5.676  -7.970   2.258
  222    HB3  ARG  27           3HB      ARG  27   5.682  -9.515   3.097
  223    HG2  ARG  27           2HG      ARG  27   3.412  -7.586   3.406
  224    HG3  ARG  27           3HG      ARG  27   3.491  -8.713   2.051
  225    HD2  ARG  27           2HD      ARG  27   3.893 -10.491   3.910
  226    HD3  ARG  27           3HD      ARG  27   3.188  -9.274   4.972
  227    HE   ARG  27           HE       ARG  27   1.464  -9.524   2.829
  228   HH11  ARG  27          1HH1      ARG  27   2.722 -11.572   5.347
  229   HH12  ARG  27          2HH1      ARG  27   1.315 -12.581   5.409
  230   HH21  ARG  27          1HH2      ARG  27  -0.394 -10.844   2.901
  231   HH22  ARG  27          2HH2      ARG  27  -0.457 -12.167   4.017
  232    H    ALA  28           H        ALA  28   8.115  -7.333   3.320
  233    HA   ALA  28           HA       ALA  28  10.280  -7.977   3.597
  234    HB1  ALA  28           1HB      ALA  28  10.773  -7.353   5.674
  235    HB2  ALA  28           2HB      ALA  28   9.182  -7.827   6.270
  236    HB3  ALA  28           3HB      ALA  28  10.474  -9.022   6.160
  237    H    THR  29           H        THR  29   7.990  -9.953   3.005
  238    HA   THR  29           HA       THR  29   8.997 -12.487   3.917
  239    HB   THR  29           HB       THR  29   6.564 -11.994   3.380
  240    HG1  THR  29           HG1      THR  29   6.257 -14.116   2.751
  241   HG21  THR  29          3HG2      THR  29   7.322 -12.598   0.539
  242   HG22  THR  29          1HG2      THR  29   7.230 -10.938   1.125
  243   HG23  THR  29          2HG2      THR  29   5.800 -11.970   1.170
  244    H    PHE  30           H        PHE  30   9.349 -10.488   1.078
  245    HA   PHE  30           HA       PHE  30  10.234 -12.287  -0.811
  246    HB2  PHE  30           2HB      PHE  30  11.438  -9.551  -0.366
  247    HB3  PHE  30           3HB      PHE  30  11.368 -10.449  -1.879
  248    HD1  PHE  30           HD1      PHE  30   9.159 -10.814  -2.980
  249    HD2  PHE  30           HD2      PHE  30   9.651  -8.193   0.337
  250    HE1  PHE  30           HE1      PHE  30   7.021  -9.725  -3.528
  251    HE2  PHE  30           HE2      PHE  30   7.514  -7.100  -0.205
  252    HZ   PHE  30           HZ       PHE  30   6.196  -7.866  -2.139
  Start of MODEL    3
    1    H1   TYR   1           H        TYR   1   3.241  -5.845  -4.752
    2    HA   TYR   1           HA       TYR   1   0.297  -5.964  -4.767
    3    HB2  TYR   1           2HB      TYR   1   0.420  -4.188  -2.947
    4    HB3  TYR   1           3HB      TYR   1   0.872  -5.822  -2.473
    5    HD1  TYR   1           HD1      TYR   1   3.179  -6.370  -1.935
    6    HD2  TYR   1           HD2      TYR   1   2.081  -2.420  -3.073
    7    HE1  TYR   1           HE1      TYR   1   5.337  -5.536  -1.100
    8    HE2  TYR   1           HE2      TYR   1   4.236  -1.575  -2.242
    9    HH   TYR   1           HH       TYR   1   6.611  -3.755  -0.747
   10    H    ALA   2           H        ALA   2   3.180  -3.978  -5.207
   11    HA   ALA   2           HA       ALA   2   1.737  -1.721  -6.232
   12    HB1  ALA   2           1HB      ALA   2   4.453  -2.330  -5.503
   13    HB2  ALA   2           2HB      ALA   2   4.395  -1.512  -7.065
   14    HB3  ALA   2           3HB      ALA   2   3.654  -0.764  -5.650
   15    H    GLU   3           H        GLU   3   0.609  -2.053  -8.064
   16    HA   GLU   3           HA       GLU   3   1.948  -3.413 -10.300
   17    HB2  GLU   3           2HB      GLU   3  -0.923  -3.058  -9.533
   18    HB3  GLU   3           3HB      GLU   3  -0.508  -3.313 -11.222
   19    HG2  GLU   3           2HG      GLU   3   0.684  -5.388 -10.549
   20    HG3  GLU   3           3HG      GLU   3   0.069  -5.152  -8.915
   21    H    LYS   4           H        LYS   4  -0.133  -0.613  -9.601
   22    HA   LYS   4           HA       LYS   4   0.217   0.583 -12.154
   23    HB2  LYS   4           2HB      LYS   4  -0.667   1.786  -9.524
   24    HB3  LYS   4           3HB      LYS   4  -0.767   2.599 -11.080
   25    HG2  LYS   4           2HG      LYS   4  -2.300   0.884 -11.888
   26    HG3  LYS   4           3HG      LYS   4  -2.189   0.049 -10.337
   27    HD2  LYS   4           2HD      LYS   4  -3.035   2.921 -10.471
   28    HD3  LYS   4           3HD      LYS   4  -4.195   1.626 -10.775
   29    HE2  LYS   4           2HE      LYS   4  -2.478   1.502  -8.339
   30    HE3  LYS   4           3HE      LYS   4  -3.860   2.597  -8.359
   31    HZ1  LYS   4           3HZ      LYS   4  -4.834   0.717  -7.562
   32    HZ2  LYS   4           1HZ      LYS   4  -3.807  -0.330  -8.404
   33    HZ3  LYS   4           2HZ      LYS   4  -5.068   0.451  -9.216
   34    H    VAL   5           H        VAL   5   1.745   1.087  -8.997
   35    HA   VAL   5           HA       VAL   5   3.314   3.300  -9.618
   36    HB   VAL   5           HB       VAL   5   4.052   1.017  -7.780
   37   HG11  VAL   5          1HG1      VAL   5   5.224   3.688  -8.315
   38   HG12  VAL   5          2HG1      VAL   5   5.167   3.144  -6.637
   39   HG13  VAL   5          3HG1      VAL   5   6.007   2.178  -7.850
   40   HG21  VAL   5          3HG2      VAL   5   3.144   3.246  -6.329
   41   HG22  VAL   5          1HG2      VAL   5   1.971   2.981  -7.619
   42   HG23  VAL   5          2HG2      VAL   5   2.360   1.675  -6.499
   43    H    ALA   6           H        ALA   6   3.661  -0.018 -10.547
   44    HA   ALA   6           HA       ALA   6   6.351   0.507 -11.610
   45    HB1  ALA   6           1HB      ALA   6   4.918  -2.109 -11.164
   46    HB2  ALA   6           2HB      ALA   6   6.541  -1.937 -11.835
   47    HB3  ALA   6           3HB      ALA   6   6.216  -1.438 -10.175
   48    H    GLN   7           H        GLN   7   3.789   1.430 -12.797
   49    HA   GLN   7           HA       GLN   7   3.944  -0.001 -15.367
   50    HB2  GLN   7           2HB      GLN   7   1.747  -0.251 -14.427
   51    HB3  GLN   7           3HB      GLN   7   1.636   1.473 -14.096
   52    HG2  GLN   7           2HG      GLN   7   0.311   0.739 -16.050
   53    HG3  GLN   7           3HG      GLN   7   1.505   1.981 -16.425
   54   HE21  GLN   7          1HE2      GLN   7   1.436   1.378 -18.613
   55   HE22  GLN   7          2HE2      GLN   7   2.235  -0.045 -19.180
   56    H    GLU   8           H        GLU   8   4.126   3.061 -13.748
   57    HA   GLU   8           HA       GLU   8   3.893   4.753 -15.997
   58    HB2  GLU   8           2HB      GLU   8   5.341   5.174 -13.377
   59    HB3  GLU   8           3HB      GLU   8   5.039   6.435 -14.564
   60    HG2  GLU   8           2HG      GLU   8   2.807   6.544 -14.094
   61    HG3  GLU   8           3HG      GLU   8   2.730   4.873 -13.538
   62    H    LYS   9           H        LYS   9   6.507   2.852 -14.726
   63    HA   LYS   9           HA       LYS   9   8.257   3.898 -16.855
   64    HB2  LYS   9           2HB      LYS   9   8.825   3.273 -13.996
   65    HB3  LYS   9           3HB      LYS   9  10.086   2.946 -15.177
   66    HG2  LYS   9           2HG      LYS   9   8.728   5.615 -14.992
   67    HG3  LYS   9           3HG      LYS   9  10.140   5.200 -14.016
   68    HD2  LYS   9           2HD      LYS   9  11.148   4.501 -16.334
   69    HD3  LYS   9           3HD      LYS   9   9.912   5.591 -16.967
   70    HE2  LYS   9           2HE      LYS   9  11.770   6.969 -16.710
   71    HE3  LYS   9           3HE      LYS   9  10.826   7.279 -15.254
   72    HZ1  LYS   9           3HZ      LYS   9  12.739   5.129 -15.011
   73    HZ2  LYS   9           1HZ      LYS   9  12.402   6.404 -13.952
   74    HZ3  LYS   9           2HZ      LYS   9  13.433   6.650 -15.271
   75    H    GLY  10           H        GLY  10   8.432   1.114 -14.640
   76    HA2  GLY  10           2HA      GLY  10   7.693  -0.902 -16.377
   77    HA3  GLY  10           3HA      GLY  10   9.397  -0.614 -16.691
   78    H    PHE  11           H        PHE  11  10.268  -2.454 -15.883
   79    HA   PHE  11           HA       PHE  11   9.511  -3.356 -13.219
   80    HB2  PHE  11           2HB      PHE  11   9.742  -5.068 -14.921
   81    HB3  PHE  11           3HB      PHE  11  11.380  -4.534 -15.284
   82    HD1  PHE  11           HD1      PHE  11   9.253  -6.195 -12.781
   83    HD2  PHE  11           HD2      PHE  11  13.225  -5.231 -13.966
   84    HE1  PHE  11           HE1      PHE  11  10.131  -7.777 -11.113
   85    HE2  PHE  11           HE2      PHE  11  14.110  -6.811 -12.301
   86    HZ   PHE  11           HZ       PHE  11  12.562  -8.087 -10.872
   87    H    LEU  12           H        LEU  12  12.455  -2.360 -14.949
   88    HA   LEU  12           HA       LEU  12  14.273  -2.528 -12.875
   89    HB2  LEU  12           2HB      LEU  12  14.197  -0.381 -14.989
   90    HB3  LEU  12           3HB      LEU  12  15.607  -0.903 -14.071
   91    HG   LEU  12           HG       LEU  12  14.116  -2.717 -15.956
   92   HD11  LEU  12          1HD1      LEU  12  16.390  -0.826 -16.481
   93   HD12  LEU  12          2HD1      LEU  12  14.870  -0.990 -17.360
   94   HD13  LEU  12          3HD1      LEU  12  16.096  -2.252 -17.476
   95   HD21  LEU  12          3HD2      LEU  12  16.094  -4.072 -15.842
   96   HD22  LEU  12          1HD2      LEU  12  15.548  -3.736 -14.198
   97   HD23  LEU  12          2HD2      LEU  12  16.924  -2.858 -14.867
   98    H    TYR  13           H        TYR  13  11.874  -0.060 -13.529
   99    HA   TYR  13           HA       TYR  13  12.781   1.987 -11.887
  100    HB2  TYR  13           2HB      TYR  13  10.925   2.382 -13.349
  101    HB3  TYR  13           3HB      TYR  13   9.970   1.122 -12.575
  102    HD1  TYR  13           HD1      TYR  13   8.929   1.509 -10.398
  103    HD2  TYR  13           HD2      TYR  13  11.147   4.571 -12.349
  104    HE1  TYR  13           HE1      TYR  13   7.948   3.178  -8.880
  105    HE2  TYR  13           HE2      TYR  13  10.174   6.248 -10.835
  106    HH   TYR  13           HH       TYR  13   8.298   5.351  -8.060
  107    H    ARG  14           H        ARG  14  10.780  -0.824 -11.076
  108    HA   ARG  14           HA       ARG  14  10.202  -0.197  -8.430
  109    HB2  ARG  14           2HB      ARG  14  10.750  -2.966  -9.508
  110    HB3  ARG  14           3HB      ARG  14   9.777  -2.553  -8.102
  111    HG2  ARG  14           2HG      ARG  14   8.201  -1.367  -9.601
  112    HG3  ARG  14           3HG      ARG  14   9.146  -1.935 -10.979
  113    HD2  ARG  14           2HD      ARG  14   7.524  -3.553 -10.881
  114    HD3  ARG  14           3HD      ARG  14   8.773  -4.280  -9.871
  115    HE   ARG  14           HE       ARG  14   6.920  -2.700  -8.370
  116   HH11  ARG  14          1HH1      ARG  14   7.448  -5.818  -9.825
  117   HH12  ARG  14          2HH1      ARG  14   6.372  -6.647  -8.749
  118   HH21  ARG  14          1HH2      ARG  14   5.500  -3.780  -6.948
  119   HH22  ARG  14          2HH2      ARG  14   5.264  -5.487  -7.114
  120    H    LEU  15           H        LEU  15  13.141  -1.375  -9.872
  121    HA   LEU  15           HA       LEU  15  14.374  -2.243  -7.451
  122    HB2  LEU  15           2HB      LEU  15  15.713  -1.395 -10.012
  123    HB3  LEU  15           3HB      LEU  15  16.398  -2.403  -8.739
  124    HG   LEU  15           HG       LEU  15  14.153  -3.153 -10.610
  125   HD11  LEU  15          1HD1      LEU  15  16.266  -3.198 -11.736
  126   HD12  LEU  15          2HD1      LEU  15  15.794  -4.858 -11.373
  127   HD13  LEU  15          3HD1      LEU  15  17.019  -4.056 -10.391
  128   HD21  LEU  15          3HD2      LEU  15  13.863  -4.091  -8.347
  129   HD22  LEU  15          1HD2      LEU  15  15.476  -4.798  -8.455
  130   HD23  LEU  15          2HD2      LEU  15  14.205  -5.329  -9.557
  131    H    THR  16           H        THR  16  13.899  -0.395  -6.098
  132    HA   THR  16           HA       THR  16  16.027   1.596  -6.253
  133    HB   THR  16           HB       THR  16  14.369   3.412  -5.646
  134    HG1  THR  16           HG1      THR  16  12.506   1.522  -6.695
  135   HG21  THR  16          3HG2      THR  16  15.315   3.455  -7.826
  136   HG22  THR  16          1HG2      THR  16  13.579   3.682  -8.032
  137   HG23  THR  16          2HG2      THR  16  14.308   2.111  -8.364
  138    H    SER  17           H        SER  17  16.243   2.838  -4.225
  139    HA   SER  17           HA       SER  17  16.314   1.168  -1.988
  140    HB2  SER  17           2HB      SER  17  17.605   3.364  -2.463
  141    HB3  SER  17           3HB      SER  17  16.208   4.165  -1.744
  142    HG   SER  17           HG       SER  17  18.237   2.856  -0.535
  143    H    ARG  18           H        ARG  18  14.088   3.852  -2.715
  144    HA   ARG  18           HA       ARG  18  12.508   3.738  -0.455
  145    HB2  ARG  18           2HB      ARG  18  11.998   4.558  -3.284
  146    HB3  ARG  18           3HB      ARG  18  10.643   4.468  -2.168
  147    HG2  ARG  18           2HG      ARG  18  11.346   6.696  -2.097
  148    HG3  ARG  18           3HG      ARG  18  12.007   5.964  -0.633
  149    HD2  ARG  18           2HD      ARG  18  14.178   5.850  -1.552
  150    HD3  ARG  18           3HD      ARG  18  13.587   6.178  -3.180
  151    HE   ARG  18           HE       ARG  18  12.966   8.348  -1.496
  152   HH11  ARG  18          1HH1      ARG  18  15.684   6.812  -3.038
  153   HH12  ARG  18          2HH1      ARG  18  16.616   8.269  -3.139
  154   HH21  ARG  18          1HH2      ARG  18  14.184  10.273  -1.624
  155   HH22  ARG  18          2HH2      ARG  18  15.763  10.236  -2.334
  156    H    TYR  19           H        TYR  19  12.084   1.948  -3.498
  157    HA   TYR  19           HA       TYR  19   9.757   0.570  -2.769
  158    HB2  TYR  19           2HB      TYR  19  10.406   0.603  -5.069
  159    HB3  TYR  19           3HB      TYR  19  11.967  -0.125  -4.706
  160    HD1  TYR  19           HD1      TYR  19   8.348  -0.765  -4.986
  161    HD2  TYR  19           HD2      TYR  19  12.200  -2.494  -4.461
  162    HE1  TYR  19           HE1      TYR  19   7.399  -2.994  -5.410
  163    HE2  TYR  19           HE2      TYR  19  11.262  -4.728  -4.885
  164    HH   TYR  19           HH       TYR  19   8.845  -5.463  -6.339
  165    H    ARG  20           H        ARG  20  13.159  -0.152  -2.228
  166    HA   ARG  20           HA       ARG  20  12.766  -2.786  -1.243
  167    HB2  ARG  20           2HB      ARG  20  15.022  -0.808  -1.089
  168    HB3  ARG  20           3HB      ARG  20  15.090  -2.320  -0.194
  169    HG2  ARG  20           2HG      ARG  20  15.327  -3.587  -2.072
  170    HG3  ARG  20           3HG      ARG  20  14.439  -2.447  -3.086
  171    HD2  ARG  20           2HD      ARG  20  16.658  -2.267  -3.807
  172    HD3  ARG  20           3HD      ARG  20  16.422  -0.875  -2.751
  173    HE   ARG  20           HE       ARG  20  17.426  -2.935  -1.182
  174   HH11  ARG  20          1HH1      ARG  20  18.446  -0.997  -3.888
  175   HH12  ARG  20          2HH1      ARG  20  20.129  -1.087  -3.485
  176   HH21  ARG  20          1HH2      ARG  20  19.639  -3.061  -0.642
  177   HH22  ARG  20          2HH2      ARG  20  20.806  -2.262  -1.639
  178    H    HIS  21           H        HIS  21  12.685   0.391   0.205
  179    HA   HIS  21           HA       HIS  21  12.783  -0.525   2.915
  180    HB2  HIS  21           2HB      HIS  21  12.265   2.080   1.555
  181    HB3  HIS  21           3HB      HIS  21  11.750   1.898   3.230
  182    HD1  HIS  21           HD1      HIS  21  14.015   0.492   4.544
  183    HD2  HIS  21           HD2      HIS  21  14.615   3.401   1.639
  184    HE1  HIS  21           HE1      HIS  21  16.349   1.348   4.921
  185    H    TYR  22           H        TYR  22  10.316  -0.176   0.530
  186    HA   TYR  22           HA       TYR  22   8.136  -0.169   2.428
  187    HB2  TYR  22           2HB      TYR  22   8.225  -0.374  -0.584
  188    HB3  TYR  22           3HB      TYR  22   6.730  -0.411   0.343
  189    HD1  TYR  22           HD2      TYR  22   7.019   1.632   2.330
  190    HD2  TYR  22           HD1      TYR  22   8.380   1.640  -1.701
  191    HE1  TYR  22           HE2      TYR  22   6.944   4.090   2.316
  192    HE2  TYR  22           HE1      TYR  22   8.311   4.098  -1.726
  193    HH   TYR  22           HH       TYR  22   7.096   5.930   1.050
  194    H    ALA  23           H        ALA  23   9.486  -2.443   0.054
  195    HA   ALA  23           HA       ALA  23   7.712  -4.566   0.712
  196    HB1  ALA  23           1HB      ALA  23   9.982  -4.152  -1.068
  197    HB2  ALA  23           2HB      ALA  23   9.914  -5.781  -0.392
  198    HB3  ALA  23           3HB      ALA  23   8.535  -5.138  -1.284
  199    H    ALA  24           H        ALA  24  10.567  -3.336   2.162
  200    HA   ALA  24           HA       ALA  24  11.137  -5.807   3.598
  201    HB1  ALA  24           1HB      ALA  24  13.042  -4.575   4.534
  202    HB2  ALA  24           2HB      ALA  24  13.025  -4.523   2.771
  203    HB3  ALA  24           3HB      ALA  24  12.500  -3.119   3.698
  204    H    PHE  25           H        PHE  25   8.739  -3.835   3.938
  205    HA   PHE  25           HA       PHE  25   8.768  -3.976   6.860
  206    HB2  PHE  25           2HB      PHE  25   8.397  -1.500   5.211
  207    HB3  PHE  25           3HB      PHE  25   7.561  -1.654   6.752
  208    HD1  PHE  25           HD2      PHE  25  10.958  -1.935   5.257
  209    HD2  PHE  25           HD1      PHE  25   8.624  -0.998   8.690
  210    HE1  PHE  25           HE2      PHE  25  12.988  -1.183   6.426
  211    HE2  PHE  25           HE1      PHE  25  10.650  -0.243   9.865
  212    HZ   PHE  25           HZ       PHE  25  12.836  -0.336   8.734
  213    H    GLU  26           H        GLU  26   6.792  -3.073   4.037
  214    HA   GLU  26           HA       GLU  26   4.281  -3.394   5.132
  215    HB2  GLU  26           2HB      GLU  26   5.415  -3.509   2.409
  216    HB3  GLU  26           3HB      GLU  26   3.862  -4.307   2.609
  217    HG2  GLU  26           2HG      GLU  26   4.194  -1.561   3.692
  218    HG3  GLU  26           3HG      GLU  26   4.030  -1.772   1.950
  219    H    ARG  27           H        ARG  27   6.496  -5.843   3.927
  220    HA   ARG  27           HA       ARG  27   4.914  -7.892   5.262
  221    HB2  ARG  27           2HB      ARG  27   5.368  -7.739   2.317
  222    HB3  ARG  27           3HB      ARG  27   5.402  -9.322   3.084
  223    HG2  ARG  27           2HG      ARG  27   3.116  -7.448   3.542
  224    HG3  ARG  27           3HG      ARG  27   3.188  -8.465   2.102
  225    HD2  ARG  27           2HD      ARG  27   3.617 -10.388   3.780
  226    HD3  ARG  27           3HD      ARG  27   2.969  -9.269   4.978
  227    HE   ARG  27           HE       ARG  27   1.250  -9.477   2.726
  228   HH11  ARG  27          1HH1      ARG  27   2.239 -11.135   5.623
  229   HH12  ARG  27          2HH1      ARG  27   0.742 -11.988   5.802
  230   HH21  ARG  27          1HH2      ARG  27  -0.726 -10.594   2.951
  231   HH22  ARG  27          2HH2      ARG  27  -0.943 -11.681   4.281
  232    H    ALA  28           H        ALA  28   7.816  -7.138   3.372
  233    HA   ALA  28           HA       ALA  28   9.990  -7.773   3.596
  234    HB1  ALA  28           1HB      ALA  28   9.635  -6.993   5.917
  235    HB2  ALA  28           2HB      ALA  28   9.193  -8.640   6.372
  236    HB3  ALA  28           3HB      ALA  28  10.823  -8.292   5.796
  237    H    THR  29           H        THR  29   7.706  -9.740   2.947
  238    HA   THR  29           HA       THR  29   8.738 -12.304   3.731
  239    HB   THR  29           HB       THR  29   6.300 -11.806   3.233
  240    HG1  THR  29           HG1      THR  29   6.606 -13.928   3.350
  241   HG21  THR  29          3HG2      THR  29   6.907 -10.628   1.041
  242   HG22  THR  29          1HG2      THR  29   5.523 -11.720   1.015
  243   HG23  THR  29          2HG2      THR  29   7.074 -12.246   0.361
  244    H    PHE  30           H        PHE  30   9.058 -10.178   0.981
  245    HA   PHE  30           HA       PHE  30   9.943 -11.885  -0.991
  246    HB2  PHE  30           2HB      PHE  30  11.130  -9.162  -0.432
  247    HB3  PHE  30           3HB      PHE  30  11.056  -9.992  -1.983
  248    HD1  PHE  30           HD1      PHE  30   8.843 -10.326  -3.085
  249    HD2  PHE  30           HD2      PHE  30   9.337  -7.850   0.341
  250    HE1  PHE  30           HE1      PHE  30   6.693  -9.231  -3.571
  251    HE2  PHE  30           HE2      PHE  30   7.189  -6.751  -0.139
  252    HZ   PHE  30           HZ       PHE  30   5.863  -7.442  -2.096
  Start of MODEL    4
    1    H1   TYR   1           H        TYR   1   0.860  -3.600  -2.717
    2    HA   TYR   1           HA       TYR   1   1.751  -1.268  -1.150
    3    HB2  TYR   1           2HB      TYR   1   4.045  -2.140  -1.374
    4    HB3  TYR   1           3HB      TYR   1   2.994  -3.278  -0.538
    5    HD1  TYR   1           HD1      TYR   1   2.342  -5.376  -1.593
    6    HD2  TYR   1           HD2      TYR   1   4.929  -2.640  -3.574
    7    HE1  TYR   1           HE1      TYR   1   2.969  -7.136  -3.192
    8    HE2  TYR   1           HE2      TYR   1   5.563  -4.393  -5.179
    9    HH   TYR   1           HH       TYR   1   3.928  -7.016  -5.779
   10    H    ALA   2           H        ALA   2   1.668  -2.826  -4.288
   11    HA   ALA   2           HA       ALA   2   2.980  -0.519  -5.527
   12    HB1  ALA   2           1HB      ALA   2   3.156  -1.867  -7.517
   13    HB2  ALA   2           2HB      ALA   2   3.740  -2.794  -6.134
   14    HB3  ALA   2           3HB      ALA   2   2.141  -3.119  -6.802
   15    H    GLU   3           H        GLU   3   1.656   1.115  -5.990
   16    HA   GLU   3           HA       GLU   3  -1.072   0.518  -6.902
   17    HB2  GLU   3           2HB      GLU   3  -0.716   2.034  -4.913
   18    HB3  GLU   3           3HB      GLU   3   0.018   3.190  -6.016
   19    HG2  GLU   3           2HG      GLU   3  -2.214   2.929  -7.331
   20    HG3  GLU   3           3HG      GLU   3  -2.826   2.329  -5.791
   21    H    LYS   4           H        LYS   4   0.022  -0.086  -8.985
   22    HA   LYS   4           HA       LYS   4   0.541   0.332 -11.162
   23    HB2  LYS   4           2HB      LYS   4  -0.957   2.910 -10.658
   24    HB3  LYS   4           3HB      LYS   4  -0.640   2.182 -12.228
   25    HG2  LYS   4           2HG      LYS   4  -1.964   0.190 -11.450
   26    HG3  LYS   4           3HG      LYS   4  -2.437   1.154 -10.049
   27    HD2  LYS   4           2HD      LYS   4  -3.466   2.806 -11.482
   28    HD3  LYS   4           3HD      LYS   4  -2.891   1.961 -12.922
   29    HE2  LYS   4           2HE      LYS   4  -5.151   1.342 -12.688
   30    HE3  LYS   4           3HE      LYS   4  -4.223  -0.037 -12.100
   31    HZ1  LYS   4           3HZ      LYS   4  -5.726   0.173 -10.427
   32    HZ2  LYS   4           1HZ      LYS   4  -5.899   1.845 -10.616
   33    HZ3  LYS   4           2HZ      LYS   4  -4.538   1.219  -9.830
   34    H    VAL   5           H        VAL   5   2.408   1.237  -9.087
   35    HA   VAL   5           HA       VAL   5   3.716   3.454 -10.524
   36    HB   VAL   5           HB       VAL   5   4.898   3.988  -8.470
   37   HG11  VAL   5          1HG1      VAL   5   2.341   3.932  -7.183
   38   HG12  VAL   5          2HG1      VAL   5   3.193   5.296  -7.909
   39   HG13  VAL   5          3HG1      VAL   5   2.135   4.288  -8.897
   40   HG21  VAL   5          3HG2      VAL   5   4.245   2.838  -6.348
   41   HG22  VAL   5          1HG2      VAL   5   3.401   1.637  -7.325
   42   HG23  VAL   5          2HG2      VAL   5   5.148   1.826  -7.475
   43    H    ALA   6           H        ALA   6   4.057   0.215  -9.298
   44    HA   ALA   6           HA       ALA   6   6.884   0.022  -9.622
   45    HB1  ALA   6           1HB      ALA   6   5.940  -2.557  -9.781
   46    HB2  ALA   6           2HB      ALA   6   6.383  -1.706  -8.301
   47    HB3  ALA   6           3HB      ALA   6   4.702  -1.734  -8.832
   48    H    GLN   7           H        GLN   7   4.191  -1.379 -11.504
   49    HA   GLN   7           HA       GLN   7   5.720  -2.384 -13.600
   50    HB2  GLN   7           2HB      GLN   7   3.440  -3.064 -13.381
   51    HB3  GLN   7           3HB      GLN   7   2.867  -1.408 -13.526
   52    HG2  GLN   7           2HG      GLN   7   3.150  -1.358 -15.796
   53    HG3  GLN   7           3HG      GLN   7   4.407  -2.594 -15.776
   54   HE21  GLN   7          1HE2      GLN   7   3.659  -4.793 -15.124
   55   HE22  GLN   7          2HE2      GLN   7   2.121  -5.316 -15.714
   56    H    GLU   8           H        GLU   8   4.697   0.861 -12.918
   57    HA   GLU   8           HA       GLU   8   5.064   1.919 -15.533
   58    HB2  GLU   8           2HB      GLU   8   4.835   3.120 -12.793
   59    HB3  GLU   8           3HB      GLU   8   5.276   4.124 -14.167
   60    HG2  GLU   8           2HG      GLU   8   2.856   2.388 -14.318
   61    HG3  GLU   8           3HG      GLU   8   2.792   3.917 -13.444
   62    H    LYS   9           H        LYS   9   6.738   3.464 -16.151
   63    HA   LYS   9           HA       LYS   9   8.913   3.990 -16.563
   64    HB2  LYS   9           2HB      LYS   9   9.172   3.458 -13.597
   65    HB3  LYS   9           3HB      LYS   9  10.401   4.233 -14.588
   66    HG2  LYS   9           2HG      LYS   9   7.628   5.346 -14.437
   67    HG3  LYS   9           3HG      LYS   9   8.825   5.704 -13.190
   68    HD2  LYS   9           2HD      LYS   9  10.360   6.422 -15.086
   69    HD3  LYS   9           3HD      LYS   9   8.933   6.361 -16.124
   70    HE2  LYS   9           2HE      LYS   9   9.235   8.618 -15.365
   71    HE3  LYS   9           3HE      LYS   9   7.810   7.945 -14.574
   72    HZ1  LYS   9           3HZ      LYS   9   9.576   9.250 -13.209
   73    HZ2  LYS   9           1HZ      LYS   9  10.407   7.776 -13.215
   74    HZ3  LYS   9           2HZ      LYS   9   8.853   7.867 -12.554
   75    H    GLY  10           H        GLY  10   8.014   1.193 -16.781
   76    HA2  GLY  10           2HA      GLY  10   9.078  -0.709 -17.575
   77    HA3  GLY  10           3HA      GLY  10  10.621   0.016 -17.149
   78    H    PHE  11           H        PHE  11  11.324  -1.990 -16.301
   79    HA   PHE  11           HA       PHE  11   9.976  -2.857 -13.838
   80    HB2  PHE  11           2HB      PHE  11  10.232  -4.651 -15.421
   81    HB3  PHE  11           3HB      PHE  11  11.937  -4.277 -15.646
   82    HD1  PHE  11           HD2      PHE  11  13.575  -4.861 -13.940
   83    HD2  PHE  11           HD1      PHE  11   9.465  -5.882 -13.512
   84    HE1  PHE  11           HE2      PHE  11  14.159  -6.453 -12.158
   85    HE2  PHE  11           HE1      PHE  11  10.042  -7.475 -11.729
   86    HZ   PHE  11           HZ       PHE  11  12.392  -7.764 -11.050
   87    H    LEU  12           H        LEU  12  13.057  -1.797 -15.153
   88    HA   LEU  12           HA       LEU  12  14.690  -2.264 -12.941
   89    HB2  LEU  12           2HB      LEU  12  14.777  -0.182 -15.104
   90    HB3  LEU  12           3HB      LEU  12  16.017  -0.292 -13.857
   91    HG   LEU  12           HG       LEU  12  16.207  -2.769 -14.691
   92   HD11  LEU  12          1HD1      LEU  12  14.619  -1.423 -16.802
   93   HD12  LEU  12          2HD1      LEU  12  14.612  -3.105 -16.274
   94   HD13  LEU  12          3HD1      LEU  12  15.908  -2.513 -17.314
   95   HD21  LEU  12          3HD2      LEU  12  17.305  -0.721 -16.570
   96   HD22  LEU  12          1HD2      LEU  12  18.081  -2.150 -15.887
   97   HD23  LEU  12          2HD2      LEU  12  17.811  -0.728 -14.880
   98    H    TYR  13           H        TYR  13  12.307   0.193 -13.525
   99    HA   TYR  13           HA       TYR  13  13.086   2.184 -11.764
  100    HB2  TYR  13           2HB      TYR  13  11.219   2.550 -13.223
  101    HB3  TYR  13           3HB      TYR  13  10.325   1.212 -12.511
  102    HD1  TYR  13           HD1      TYR  13   9.264   1.449 -10.321
  103    HD2  TYR  13           HD2      TYR  13  11.327   4.701 -12.129
  104    HE1  TYR  13           HE1      TYR  13   8.199   2.999  -8.735
  105    HE2  TYR  13           HE2      TYR  13  10.268   6.260 -10.548
  106    HH   TYR  13           HH       TYR  13   8.300   6.386  -9.128
  107    H    ARG  14           H        ARG  14  11.237  -0.769 -11.114
  108    HA   ARG  14           HA       ARG  14  10.610  -0.307  -8.444
  109    HB2  ARG  14           2HB      ARG  14  11.119  -2.844  -9.984
  110    HB3  ARG  14           3HB      ARG  14  10.667  -2.868  -8.284
  111    HG2  ARG  14           2HG      ARG  14   8.588  -1.731  -8.791
  112    HG3  ARG  14           3HG      ARG  14   9.047  -1.616 -10.491
  113    HD2  ARG  14           2HD      ARG  14   7.744  -3.485 -10.582
  114    HD3  ARG  14           3HD      ARG  14   9.301  -4.234 -10.226
  115    HE   ARG  14           HE       ARG  14   7.972  -3.616  -7.820
  116   HH11  ARG  14          1HH1      ARG  14   7.815  -5.815 -10.514
  117   HH12  ARG  14          2HH1      ARG  14   7.063  -7.083  -9.604
  118   HH21  ARG  14          1HH2      ARG  14   6.982  -5.278  -6.610
  119   HH22  ARG  14          2HH2      ARG  14   6.589  -6.777  -7.384
  120    H    LEU  15           H        LEU  15  13.619  -1.221  -9.921
  121    HA   LEU  15           HA       LEU  15  14.877  -2.144  -7.523
  122    HB2  LEU  15           2HB      LEU  15  16.196  -1.150 -10.041
  123    HB3  LEU  15           3HB      LEU  15  16.905  -2.186  -8.804
  124    HG   LEU  15           HG       LEU  15  14.706  -2.934 -10.730
  125   HD11  LEU  15          1HD1      LEU  15  16.932  -2.809 -11.737
  126   HD12  LEU  15          2HD1      LEU  15  16.353  -4.471 -11.644
  127   HD13  LEU  15          3HD1      LEU  15  17.556  -3.891 -10.492
  128   HD21  LEU  15          3HD2      LEU  15  16.055  -4.624  -8.629
  129   HD22  LEU  15          1HD2      LEU  15  14.809  -5.144  -9.763
  130   HD23  LEU  15          2HD2      LEU  15  14.422  -3.968  -8.507
  131    H    THR  16           H        THR  16  14.236  -0.308  -6.167
  132    HA   THR  16           HA       THR  16  16.280   1.790  -6.267
  133    HB   THR  16           HB       THR  16  14.512   3.451  -5.513
  134    HG1  THR  16           HG1      THR  16  12.356   2.817  -6.349
  135   HG21  THR  16          3HG2      THR  16  15.430   3.622  -7.723
  136   HG22  THR  16          1HG2      THR  16  13.684   3.838  -7.842
  137   HG23  THR  16          2HG2      THR  16  14.416   2.300  -8.301
  138    H    SER  17           H        SER  17  15.924   3.204  -4.130
  139    HA   SER  17           HA       SER  17  16.399   1.387  -1.970
  140    HB2  SER  17           2HB      SER  17  17.417   3.764  -2.425
  141    HB3  SER  17           3HB      SER  17  15.993   4.329  -1.551
  142    HG   SER  17           HG       SER  17  17.715   3.985  -0.123
  143    H    ARG  18           H        ARG  18  13.912   3.853  -2.612
  144    HA   ARG  18           HA       ARG  18  12.376   3.501  -0.333
  145    HB2  ARG  18           2HB      ARG  18  11.799   4.443  -3.106
  146    HB3  ARG  18           3HB      ARG  18  10.442   4.134  -2.030
  147    HG2  ARG  18           2HG      ARG  18  10.847   6.380  -1.701
  148    HG3  ARG  18           3HG      ARG  18  11.729   5.637  -0.365
  149    HD2  ARG  18           2HD      ARG  18  13.150   7.290  -1.319
  150    HD3  ARG  18           3HD      ARG  18  13.782   5.716  -1.798
  151    HE   ARG  18           HE       ARG  18  13.389   6.278  -3.974
  152   HH11  ARG  18          1HH1      ARG  18  11.490   8.353  -1.923
  153   HH12  ARG  18          2HH1      ARG  18  10.934   9.350  -3.226
  154   HH21  ARG  18          1HH2      ARG  18  12.663   7.583  -5.698
  155   HH22  ARG  18          2HH2      ARG  18  11.601   8.911  -5.373
  156    H    TYR  19           H        TYR  19  12.069   1.851  -3.470
  157    HA   TYR  19           HA       TYR  19   9.870   0.265  -2.907
  158    HB2  TYR  19           2HB      TYR  19  10.703   0.348  -5.144
  159    HB3  TYR  19           3HB      TYR  19  12.277  -0.264  -4.651
  160    HD1  TYR  19           HD1      TYR  19   8.720  -1.186  -5.096
  161    HD2  TYR  19           HD2      TYR  19  12.693  -2.593  -4.512
  162    HE1  TYR  19           HE1      TYR  19   7.976  -3.478  -5.590
  163    HE2  TYR  19           HE2      TYR  19  11.960  -4.888  -5.006
  164    HH   TYR  19           HH       TYR  19   9.754  -6.182  -4.876
  165    H    ARG  20           H        ARG  20  13.288  -0.736  -2.666
  166    HA   ARG  20           HA       ARG  20  12.865  -3.199  -1.464
  167    HB2  ARG  20           2HB      ARG  20  15.183  -1.282  -1.188
  168    HB3  ARG  20           3HB      ARG  20  15.202  -2.930  -0.573
  169    HG2  ARG  20           2HG      ARG  20  14.857  -3.771  -2.852
  170    HG3  ARG  20           3HG      ARG  20  14.886  -2.112  -3.453
  171    HD2  ARG  20           2HD      ARG  20  17.163  -1.836  -2.706
  172    HD3  ARG  20           3HD      ARG  20  17.142  -3.428  -1.948
  173    HE   ARG  20           HE       ARG  20  17.568  -2.839  -4.720
  174   HH11  ARG  20          1HH1      ARG  20  16.416  -5.233  -2.469
  175   HH12  ARG  20          2HH1      ARG  20  16.723  -6.567  -3.530
  176   HH21  ARG  20          1HH2      ARG  20  17.976  -4.588  -6.126
  177   HH22  ARG  20          2HH2      ARG  20  17.611  -6.200  -5.610
  178    H    HIS  21           H        HIS  21  12.927   0.006  -0.057
  179    HA   HIS  21           HA       HIS  21  13.027  -0.880   2.661
  180    HB2  HIS  21           2HB      HIS  21  12.599   1.724   1.272
  181    HB3  HIS  21           3HB      HIS  21  12.082   1.588   2.950
  182    HD1  HIS  21           HD1      HIS  21  14.371  -0.047   4.126
  183    HD2  HIS  21           HD2      HIS  21  14.921   3.113   1.485
  184    HE1  HIS  21           HE1      HIS  21  16.719   0.761   4.523
  185    H    TYR  22           H        TYR  22  10.525  -0.396   0.317
  186    HA   TYR  22           HA       TYR  22   8.390  -0.335   2.264
  187    HB2  TYR  22           2HB      TYR  22   8.417  -0.462  -0.752
  188    HB3  TYR  22           3HB      TYR  22   6.934  -0.487   0.196
  189    HD1  TYR  22           HD2      TYR  22   7.556   1.482   2.304
  190    HD2  TYR  22           HD1      TYR  22   8.365   1.582  -1.872
  191    HE1  TYR  22           HE2      TYR  22   7.553   3.941   2.368
  192    HE2  TYR  22           HE1      TYR  22   8.365   4.041  -1.819
  193    HH   TYR  22           HH       TYR  22   7.547   5.854  -0.487
  194    H    ALA  23           H        ALA  23   9.624  -2.621  -0.156
  195    HA   ALA  23           HA       ALA  23   7.759  -4.676   0.464
  196    HB1  ALA  23           1HB      ALA  23   8.559  -5.257  -1.537
  197    HB2  ALA  23           2HB      ALA  23  10.042  -4.329  -1.309
  198    HB3  ALA  23           3HB      ALA  23   9.915  -5.962  -0.656
  199    H    ALA  24           H        ALA  24  10.659  -3.594   1.940
  200    HA   ALA  24           HA       ALA  24  11.119  -6.111   3.335
  201    HB1  ALA  24           1HB      ALA  24  13.049  -4.856   2.509
  202    HB2  ALA  24           2HB      ALA  24  12.598  -3.490   3.531
  203    HB3  ALA  24           3HB      ALA  24  13.087  -5.017   4.265
  204    H    PHE  25           H        PHE  25   8.808  -4.044   3.704
  205    HA   PHE  25           HA       PHE  25   8.824  -4.233   6.623
  206    HB2  PHE  25           2HB      PHE  25   8.564  -1.717   5.015
  207    HB3  PHE  25           3HB      PHE  25   7.722  -1.860   6.555
  208    HD1  PHE  25           HD2      PHE  25  11.103  -2.259   5.050
  209    HD2  PHE  25           HD1      PHE  25   8.814  -1.288   8.504
  210    HE1  PHE  25           HE2      PHE  25  13.164  -1.617   6.231
  211    HE2  PHE  25           HE1      PHE  25  10.871  -0.643   9.691
  212    HZ   PHE  25           HZ       PHE  25  13.050  -0.808   8.554
  213    H    GLU  26           H        GLU  26   6.896  -3.194   3.813
  214    HA   GLU  26           HA       GLU  26   4.371  -3.423   4.898
  215    HB2  GLU  26           2HB      GLU  26   5.505  -3.544   2.175
  216    HB3  GLU  26           3HB      GLU  26   3.917  -4.274   2.360
  217    HG2  GLU  26           2HG      GLU  26   4.343  -1.575   3.512
  218    HG3  GLU  26           3HG      GLU  26   4.232  -1.722   1.759
  219    H    ARG  27           H        ARG  27   6.481  -5.947   3.664
  220    HA   ARG  27           HA       ARG  27   4.806  -7.946   4.959
  221    HB2  ARG  27           2HB      ARG  27   5.274  -7.767   2.017
  222    HB3  ARG  27           3HB      ARG  27   5.231  -9.361   2.759
  223    HG2  ARG  27           2HG      ARG  27   3.036  -7.373   3.210
  224    HG3  ARG  27           3HG      ARG  27   3.062  -8.419   1.789
  225    HD2  ARG  27           2HD      ARG  27   3.038 -10.386   3.169
  226    HD3  ARG  27           3HD      ARG  27   3.215  -9.414   4.629
  227    HE   ARG  27           HE       ARG  27   0.895  -8.625   3.237
  228   HH11  ARG  27          1HH1      ARG  27   2.150 -11.251   5.147
  229   HH12  ARG  27          2HH1      ARG  27   0.595 -11.739   5.735
  230   HH21  ARG  27          1HH2      ARG  27  -1.158  -9.258   4.003
  231   HH22  ARG  27          2HH2      ARG  27  -1.286 -10.606   5.083
  232    H    ALA  28           H        ALA  28   7.742  -7.290   3.084
  233    HA   ALA  28           HA       ALA  28   9.885  -8.024   3.299
  234    HB1  ALA  28           1HB      ALA  28   9.561  -7.268   5.633
  235    HB2  ALA  28           2HB      ALA  28   9.048  -8.901   6.059
  236    HB3  ALA  28           3HB      ALA  28  10.692  -8.614   5.490
  237    H    THR  29           H        THR  29   7.517  -9.877   2.615
  238    HA   THR  29           HA       THR  29   8.433 -12.497   3.358
  239    HB   THR  29           HB       THR  29   6.020 -11.883   2.865
  240    HG1  THR  29           HG1      THR  29   6.096 -14.005   2.883
  241   HG21  THR  29          3HG2      THR  29   5.254 -11.731   0.646
  242   HG22  THR  29          1HG2      THR  29   6.785 -12.303  -0.014
  243   HG23  THR  29          2HG2      THR  29   6.677 -10.693   0.697
  244    H    PHE  30           H        PHE  30   8.852 -10.343   0.644
  245    HA   PHE  30           HA       PHE  30   9.667 -12.055  -1.354
  246    HB2  PHE  30           2HB      PHE  30  10.971  -9.396  -0.750
  247    HB3  PHE  30           3HB      PHE  30  10.863 -10.197  -2.314
  248    HD1  PHE  30           HD2      PHE  30   8.637 -10.417  -3.423
  249    HD2  PHE  30           HD1      PHE  30   9.237  -8.018   0.041
  250    HE1  PHE  30           HE2      PHE  30   6.539  -9.220  -3.893
  251    HE2  PHE  30           HE1      PHE  30   7.140  -6.818  -0.422
  252    HZ   PHE  30           HZ       PHE  30   5.788  -7.418  -2.392
  Start of MODEL    5
    1    H1   TYR   1           H        TYR   1  -0.975  -5.176  -2.867
    2    HA   TYR   1           HA       TYR   1   0.240  -2.600  -2.246
    3    HB2  TYR   1           2HB      TYR   1   1.407  -4.959  -2.714
    4    HB3  TYR   1           3HB      TYR   1   1.354  -4.363  -4.369
    5    HD1  TYR   1           HD1      TYR   1   2.634  -2.381  -5.019
    6    HD2  TYR   1           HD2      TYR   1   2.842  -3.935  -1.064
    7    HE1  TYR   1           HE1      TYR   1   4.655  -1.042  -4.606
    8    HE2  TYR   1           HE2      TYR   1   4.863  -2.600  -0.639
    9    HH   TYR   1           HH       TYR   1   6.338  -1.174  -1.478
   10    H    ALA   2           H        ALA   2   0.843  -1.114  -3.950
   11    HA   ALA   2           HA       ALA   2  -1.316  -0.551  -5.703
   12    HB1  ALA   2           1HB      ALA   2   1.220   0.709  -4.958
   13    HB2  ALA   2           2HB      ALA   2   0.705   1.032  -6.614
   14    HB3  ALA   2           3HB      ALA   2  -0.360   1.429  -5.266
   15    H    GLU   3           H        GLU   3  -1.632  -1.039  -7.794
   16    HA   GLU   3           HA       GLU   3   0.547  -2.421  -9.219
   17    HB2  GLU   3           2HB      GLU   3  -1.638  -3.694  -8.487
   18    HB3  GLU   3           3HB      GLU   3  -2.326  -2.902  -9.898
   19    HG2  GLU   3           2HG      GLU   3  -1.013  -4.077 -11.371
   20    HG3  GLU   3           3HG      GLU   3   0.238  -4.394 -10.170
   21    H    LYS   4           H        LYS   4  -0.197   0.450  -9.163
   22    HA   LYS   4           HA       LYS   4  -1.104   0.858 -11.922
   23    HB2  LYS   4           2HB      LYS   4  -2.004   2.110  -9.780
   24    HB3  LYS   4           3HB      LYS   4  -0.583   3.115 -10.033
   25    HG2  LYS   4           2HG      LYS   4  -2.203   4.265 -11.190
   26    HG3  LYS   4           3HG      LYS   4  -1.459   3.299 -12.467
   27    HD2  LYS   4           2HD      LYS   4  -3.732   2.994 -12.840
   28    HD3  LYS   4           3HD      LYS   4  -3.294   1.566 -11.899
   29    HE2  LYS   4           2HE      LYS   4  -3.962   3.051  -9.863
   30    HE3  LYS   4           3HE      LYS   4  -4.841   3.987 -11.071
   31    HZ1  LYS   4           3HZ      LYS   4  -5.991   1.936 -11.721
   32    HZ2  LYS   4           1HZ      LYS   4  -6.278   2.340 -10.103
   33    HZ3  LYS   4           2HZ      LYS   4  -5.196   1.097 -10.486
   34    H    VAL   5           H        VAL   5   1.559   1.616  -9.724
   35    HA   VAL   5           HA       VAL   5   3.104   2.717 -11.957
   36    HB   VAL   5           HB       VAL   5   4.679   3.523 -10.305
   37   HG11  VAL   5          1HG1      VAL   5   2.841   4.986 -10.719
   38   HG12  VAL   5          2HG1      VAL   5   1.798   4.080  -9.622
   39   HG13  VAL   5          3HG1      VAL   5   3.156   5.008  -8.984
   40   HG21  VAL   5          3HG2      VAL   5   3.198   1.670  -8.541
   41   HG22  VAL   5          1HG2      VAL   5   4.908   2.103  -8.556
   42   HG23  VAL   5          2HG2      VAL   5   3.730   3.189  -7.819
   43    H    ALA   6           H        ALA   6   2.940  -0.009  -9.803
   44    HA   ALA   6           HA       ALA   6   5.573  -0.992 -10.332
   45    HB1  ALA   6           1HB      ALA   6   4.813  -1.825  -8.345
   46    HB2  ALA   6           2HB      ALA   6   3.160  -2.021  -8.931
   47    HB3  ALA   6           3HB      ALA   6   4.408  -3.170  -9.413
   48    H    GLN   7           H        GLN   7   6.275  -2.318 -11.904
   49    HA   GLN   7           HA       GLN   7   6.318  -3.558 -13.810
   50    HB2  GLN   7           2HB      GLN   7   4.751  -4.985 -12.395
   51    HB3  GLN   7           3HB      GLN   7   3.429  -4.242 -13.286
   52    HG2  GLN   7           2HG      GLN   7   4.120  -5.204 -15.318
   53    HG3  GLN   7           3HG      GLN   7   5.688  -5.663 -14.656
   54   HE21  GLN   7          1HE2      GLN   7   2.568  -6.673 -15.330
   55   HE22  GLN   7          2HE2      GLN   7   2.579  -8.159 -14.449
   56    H    GLU   8           H        GLU   8   5.045  -0.749 -13.606
   57    HA   GLU   8           HA       GLU   8   3.983  -0.745 -16.351
   58    HB2  GLU   8           2HB      GLU   8   2.969   0.827 -13.980
   59    HB3  GLU   8           3HB      GLU   8   2.518   1.173 -15.643
   60    HG2  GLU   8           2HG      GLU   8   2.138  -1.596 -14.659
   61    HG3  GLU   8           3HG      GLU   8   1.042  -0.349 -14.066
   62    H    LYS   9           H        LYS   9   5.155   1.465 -13.807
   63    HA   LYS   9           HA       LYS   9   6.028   3.490 -15.529
   64    HB2  LYS   9           2HB      LYS   9   5.712   3.695 -13.053
   65    HB3  LYS   9           3HB      LYS   9   7.205   2.791 -12.834
   66    HG2  LYS   9           2HG      LYS   9   8.024   4.898 -12.668
   67    HG3  LYS   9           3HG      LYS   9   8.157   4.685 -14.415
   68    HD2  LYS   9           2HD      LYS   9   6.078   5.865 -14.759
   69    HD3  LYS   9           3HD      LYS   9   5.817   5.978 -13.017
   70    HE2  LYS   9           2HE      LYS   9   7.712   7.423 -12.766
   71    HE3  LYS   9           3HE      LYS   9   8.182   7.180 -14.448
   72    HZ1  LYS   9           3HZ      LYS   9   5.503   8.150 -14.190
   73    HZ2  LYS   9           1HZ      LYS   9   6.783   8.753 -15.118
   74    HZ3  LYS   9           2HZ      LYS   9   6.629   9.204 -13.495
   75    H    GLY  10           H        GLY  10   7.479   0.467 -14.635
   76    HA2  GLY  10           2HA      GLY  10   9.180   0.037 -16.614
   77    HA3  GLY  10           3HA      GLY  10  10.080   1.248 -15.713
   78    H    PHE  11           H        PHE  11  11.316  -1.076 -16.042
   79    HA   PHE  11           HA       PHE  11  10.771  -2.851 -13.817
   80    HB2  PHE  11           2HB      PHE  11  11.460  -3.854 -15.914
   81    HB3  PHE  11           3HB      PHE  11  12.928  -2.884 -15.936
   82    HD1  PHE  11           HD2      PHE  11  11.228  -5.106 -13.460
   83    HD2  PHE  11           HD1      PHE  11  14.821  -4.087 -15.503
   84    HE1  PHE  11           HE2      PHE  11  12.417  -6.888 -12.250
   85    HE2  PHE  11           HE1      PHE  11  16.015  -5.868 -14.296
   86    HZ   PHE  11           HZ       PHE  11  14.814  -7.270 -12.666
   87    H    LEU  12           H        LEU  12  13.575  -0.934 -14.907
   88    HA   LEU  12           HA       LEU  12  15.129  -1.277 -12.615
   89    HB2  LEU  12           2HB      LEU  12  15.075   1.150 -14.400
   90    HB3  LEU  12           3HB      LEU  12  16.401   0.632 -13.361
   91    HG   LEU  12           HG       LEU  12  15.419  -1.034 -15.665
   92   HD11  LEU  12          1HD1      LEU  12  17.566   1.082 -15.673
   93   HD12  LEU  12          2HD1      LEU  12  16.059   1.102 -16.590
   94   HD13  LEU  12          3HD1      LEU  12  17.298  -0.099 -16.956
   95   HD21  LEU  12          3HD2      LEU  12  16.728  -2.331 -14.221
   96   HD22  LEU  12          1HD2      LEU  12  17.854  -1.010 -13.909
   97   HD23  LEU  12          2HD2      LEU  12  17.849  -1.810 -15.481
   98    H    TYR  13           H        TYR  13  12.407   0.778 -13.216
   99    HA   TYR  13           HA       TYR  13  12.740   2.803 -11.372
  100    HB2  TYR  13           2HB      TYR  13  10.863   2.850 -12.859
  101    HB3  TYR  13           3HB      TYR  13  10.236   1.338 -12.211
  102    HD1  TYR  13           HD1      TYR  13  11.265   4.673 -10.853
  103    HD2  TYR  13           HD2      TYR  13   8.374   1.552 -10.881
  104    HE1  TYR  13           HE1      TYR  13   9.894   5.937  -9.249
  105    HE2  TYR  13           HE2      TYR  13   6.995   2.807  -9.277
  106    HH   TYR  13           HH       TYR  13   7.978   6.020  -8.129
  107    H    ARG  14           H        ARG  14  11.007  -0.263 -10.789
  108    HA   ARG  14           HA       ARG  14  10.654   0.088  -8.042
  109    HB2  ARG  14           2HB      ARG  14  10.636  -2.258  -9.883
  110    HB3  ARG  14           3HB      ARG  14  10.683  -2.565  -8.152
  111    HG2  ARG  14           2HG      ARG  14   8.597  -1.621  -7.797
  112    HG3  ARG  14           3HG      ARG  14   8.643  -0.712  -9.309
  113    HD2  ARG  14           2HD      ARG  14   7.221  -2.380  -9.928
  114    HD3  ARG  14           3HD      ARG  14   8.755  -3.147 -10.340
  115    HE   ARG  14           HE       ARG  14   7.844  -3.682  -7.659
  116   HH11  ARG  14          1HH1      ARG  14   7.747  -4.684 -10.992
  117   HH12  ARG  14          2HH1      ARG  14   7.334  -6.326 -10.622
  118   HH21  ARG  14          1HH2      ARG  14   7.299  -5.840  -7.160
  119   HH22  ARG  14          2HH2      ARG  14   7.078  -6.982  -8.442
  120    H    LEU  15           H        LEU  15  13.432  -0.895  -9.862
  121    HA   LEU  15           HA       LEU  15  14.831  -2.094  -7.665
  122    HB2  LEU  15           2HB      LEU  15  15.989  -1.030 -10.232
  123    HB3  LEU  15           3HB      LEU  15  16.711  -2.212  -9.143
  124    HG   LEU  15           HG       LEU  15  14.266  -2.637 -10.860
  125   HD11  LEU  15          1HD1      LEU  15  15.597  -3.975 -12.247
  126   HD12  LEU  15          2HD1      LEU  15  16.923  -4.014 -11.086
  127   HD13  LEU  15          3HD1      LEU  15  16.562  -2.527 -11.963
  128   HD21  LEU  15          3HD2      LEU  15  14.156  -3.855  -8.731
  129   HD22  LEU  15          1HD2      LEU  15  15.736  -4.564  -9.065
  130   HD23  LEU  15          2HD2      LEU  15  14.363  -4.943 -10.105
  131    H    THR  16           H        THR  16  14.248  -0.111  -6.303
  132    HA   THR  16           HA       THR  16  16.475   1.811  -6.470
  133    HB   THR  16           HB       THR  16  14.872   3.436  -5.303
  134    HG1  THR  16           HG1      THR  16  12.819   2.887  -5.168
  135   HG21  THR  16          3HG2      THR  16  15.375   4.122  -7.431
  136   HG22  THR  16          1HG2      THR  16  13.650   3.813  -7.620
  137   HG23  THR  16          2HG2      THR  16  14.825   2.616  -8.165
  138    H    SER  17           H        SER  17  17.068   2.787  -4.390
  139    HA   SER  17           HA       SER  17  17.473   0.837  -2.403
  140    HB2  SER  17           2HB      SER  17  18.734   3.103  -2.943
  141    HB3  SER  17           3HB      SER  17  17.644   3.740  -1.712
  142    HG   SER  17           HG       SER  17  19.737   2.891  -0.969
  143    H    ARG  18           H        ARG  18  15.038   3.319  -2.811
  144    HA   ARG  18           HA       ARG  18  13.984   3.170  -0.171
  145    HB2  ARG  18           2HB      ARG  18  12.471   4.049  -2.626
  146    HB3  ARG  18           3HB      ARG  18  12.216   4.551  -0.960
  147    HG2  ARG  18           2HG      ARG  18  14.572   5.239  -2.703
  148    HG3  ARG  18           3HG      ARG  18  13.275   6.323  -2.197
  149    HD2  ARG  18           2HD      ARG  18  13.958   6.045   0.137
  150    HD3  ARG  18           3HD      ARG  18  15.251   4.960  -0.371
  151    HE   ARG  18           HE       ARG  18  15.596   7.339  -1.756
  152   HH11  ARG  18          1HH1      ARG  18  15.619   6.238   1.547
  153   HH12  ARG  18          2HH1      ARG  18  16.750   7.438   2.076
  154   HH21  ARG  18          1HH2      ARG  18  17.086   8.924  -1.071
  155   HH22  ARG  18          2HH2      ARG  18  17.584   8.966   0.587
  156    H    TYR  19           H        TYR  19  13.002   1.749  -3.275
  157    HA   TYR  19           HA       TYR  19  10.690   0.462  -2.492
  158    HB2  TYR  19           2HB      TYR  19  11.299   0.494  -4.807
  159    HB3  TYR  19           3HB      TYR  19  12.796  -0.374  -4.489
  160    HD1  TYR  19           HD1      TYR  19   9.096  -0.745  -4.355
  161    HD2  TYR  19           HD2      TYR  19  12.861  -2.705  -4.642
  162    HE1  TYR  19           HE1      TYR  19   7.947  -2.874  -4.799
  163    HE2  TYR  19           HE2      TYR  19  11.723  -4.839  -5.088
  164    HH   TYR  19           HH       TYR  19   9.665  -5.714  -5.804
  165    H    ARG  20           H        ARG  20  13.998  -0.863  -2.455
  166    HA   ARG  20           HA       ARG  20  13.393  -3.348  -1.356
  167    HB2  ARG  20           2HB      ARG  20  15.909  -1.724  -0.933
  168    HB3  ARG  20           3HB      ARG  20  15.746  -3.460  -0.704
  169    HG2  ARG  20           2HG      ARG  20  14.953  -3.323  -3.237
  170    HG3  ARG  20           3HG      ARG  20  15.975  -1.885  -3.197
  171    HD2  ARG  20           2HD      ARG  20  17.431  -3.587  -3.846
  172    HD3  ARG  20           3HD      ARG  20  17.734  -3.409  -2.118
  173    HE   ARG  20           HE       ARG  20  15.802  -5.359  -2.349
  174   HH11  ARG  20          1HH1      ARG  20  19.069  -4.885  -3.453
  175   HH12  ARG  20          2HH1      ARG  20  19.450  -6.575  -3.462
  176   HH21  ARG  20          1HH2      ARG  20  16.291  -7.587  -2.355
  177   HH22  ARG  20          2HH2      ARG  20  17.869  -8.111  -2.838
  178    H    HIS  21           H        HIS  21  13.667  -0.221   0.141
  179    HA   HIS  21           HA       HIS  21  13.759  -1.291   2.829
  180    HB2  HIS  21           2HB      HIS  21  14.815   0.922   1.980
  181    HB3  HIS  21           3HB      HIS  21  13.191   1.581   2.149
  182    HD1  HIS  21           HD1      HIS  21  15.400  -0.557   4.410
  183    HD2  HIS  21           HD2      HIS  21  13.015   2.844   4.519
  184    HE1  HIS  21           HE1      HIS  21  15.502   0.260   6.786
  185    H    TYR  22           H        TYR  22  11.380  -0.292   0.545
  186    HA   TYR  22           HA       TYR  22   9.300   0.116   2.510
  187    HB2  TYR  22           2HB      TYR  22   9.358   0.107  -0.501
  188    HB3  TYR  22           3HB      TYR  22   7.843   0.190   0.391
  189    HD1  TYR  22           HD2      TYR  22   8.345   1.984   2.567
  190    HD2  TYR  22           HD1      TYR  22   9.813   2.174  -1.421
  191    HE1  TYR  22           HE2      TYR  22   8.601   4.421   2.784
  192    HE2  TYR  22           HE1      TYR  22  10.075   4.611  -1.215
  193    HH   TYR  22           HH       TYR  22  10.303   6.221   1.403
  194    H    ALA  23           H        ALA  23  10.045  -2.292   0.004
  195    HA   ALA  23           HA       ALA  23   7.862  -3.997   0.650
  196    HB1  ALA  23           1HB      ALA  23  10.111  -4.015  -1.202
  197    HB2  ALA  23           2HB      ALA  23   9.704  -5.617  -0.585
  198    HB3  ALA  23           3HB      ALA  23   8.475  -4.646  -1.396
  199    H    ALA  24           H        ALA  24  10.951  -3.491   2.042
  200    HA   ALA  24           HA       ALA  24  11.011  -6.093   3.351
  201    HB1  ALA  24           1HB      ALA  24  13.122  -5.291   2.562
  202    HB2  ALA  24           2HB      ALA  24  12.919  -3.763   3.419
  203    HB3  ALA  24           3HB      ALA  24  13.147  -5.258   4.326
  204    H    PHE  25           H        PHE  25   9.109  -3.663   3.858
  205    HA   PHE  25           HA       PHE  25   9.169  -3.961   6.768
  206    HB2  PHE  25           2HB      PHE  25   9.315  -1.378   5.251
  207    HB3  PHE  25           3HB      PHE  25   8.509  -1.429   6.815
  208    HD1  PHE  25           HD1      PHE  25  11.716  -2.362   5.172
  209    HD2  PHE  25           HD2      PHE  25   9.746  -1.136   8.740
  210    HE1  PHE  25           HE1      PHE  25  13.894  -2.139   6.294
  211    HE2  PHE  25           HE2      PHE  25  11.921  -0.911   9.868
  212    HZ   PHE  25           HZ       PHE  25  13.999  -1.412   8.644
  213    H    GLU  26           H        GLU  26   7.383  -2.493   4.057
  214    HA   GLU  26           HA       GLU  26   4.887  -2.312   5.217
  215    HB2  GLU  26           2HB      GLU  26   5.907  -2.532   2.454
  216    HB3  GLU  26           3HB      GLU  26   4.218  -2.967   2.671
  217    HG2  GLU  26           2HG      GLU  26   5.160  -0.437   3.894
  218    HG3  GLU  26           3HG      GLU  26   4.981  -0.494   2.142
  219    H    ARG  27           H        ARG  27   6.521  -5.126   3.928
  220    HA   ARG  27           HA       ARG  27   4.544  -6.841   5.184
  221    HB2  ARG  27           2HB      ARG  27   4.993  -6.711   2.224
  222    HB3  ARG  27           3HB      ARG  27   4.565  -8.242   2.975
  223    HG2  ARG  27           2HG      ARG  27   2.516  -7.281   3.839
  224    HG3  ARG  27           3HG      ARG  27   2.955  -5.706   3.174
  225    HD2  ARG  27           2HD      ARG  27   2.851  -6.588   0.924
  226    HD3  ARG  27           3HD      ARG  27   2.538  -8.208   1.544
  227    HE   ARG  27           HE       ARG  27   0.575  -6.410   2.488
  228   HH11  ARG  27          1HH1      ARG  27   1.589  -8.077  -0.396
  229   HH12  ARG  27          2HH1      ARG  27   0.000  -8.121  -1.086
  230   HH21  ARG  27          1HH2      ARG  27  -1.521  -6.462   1.590
  231   HH22  ARG  27          2HH2      ARG  27  -1.768  -7.201   0.044
  232    H    ALA  28           H        ALA  28   7.478  -6.658   3.200
  233    HA   ALA  28           HA       ALA  28   9.465  -7.762   3.311
  234    HB1  ALA  28           1HB      ALA  28  10.115  -7.412   5.416
  235    HB2  ALA  28           2HB      ALA  28   8.495  -7.697   6.053
  236    HB3  ALA  28           3HB      ALA  28   9.571  -9.058   5.738
  237    H    THR  29           H        THR  29   6.777  -9.146   2.687
  238    HA   THR  29           HA       THR  29   7.238 -11.908   3.320
  239    HB   THR  29           HB       THR  29   4.958 -10.862   2.937
  240    HG1  THR  29           HG1      THR  29   4.462 -12.903   2.755
  241   HG21  THR  29          3HG2      THR  29   5.754  -9.739   0.774
  242   HG22  THR  29          1HG2      THR  29   4.159 -10.490   0.759
  243   HG23  THR  29          2HG2      THR  29   5.530 -11.317   0.021
  244    H    PHE  30           H        PHE  30   7.942  -9.777   0.646
  245    HA   PHE  30           HA       PHE  30   8.372 -11.544  -1.423
  246    HB2  PHE  30           2HB      PHE  30  10.144  -9.174  -0.807
  247    HB3  PHE  30           3HB      PHE  30   9.844  -9.897  -2.385
  248    HD1  PHE  30           HD2      PHE  30   7.578  -9.689  -3.411
  249    HD2  PHE  30           HD1      PHE  30   8.709  -7.539   0.084
  250    HE1  PHE  30           HE2      PHE  30   5.709  -8.130  -3.770
  251    HE2  PHE  30           HE1      PHE  30   6.841  -5.976  -0.269
  252    HZ   PHE  30           HZ       PHE  30   5.339  -6.270  -2.198
  Start of MODEL    6
    1    H1   TYR   1           H        TYR   1   2.299  -4.948  -3.345
    2    HA   TYR   1           HA       TYR   1  -0.322  -3.683  -2.893
    3    HB2  TYR   1           2HB      TYR   1   1.065  -1.976  -1.586
    4    HB3  TYR   1           3HB      TYR   1   0.865  -3.566  -0.858
    5    HD1  TYR   1           HD1      TYR   1   3.234  -1.557  -2.910
    6    HD2  TYR   1           HD2      TYR   1   2.735  -4.793  -0.193
    7    HE1  TYR   1           HE1      TYR   1   5.677  -1.774  -2.729
    8    HE2  TYR   1           HE2      TYR   1   5.177  -5.018  -0.004
    9    HH   TYR   1           HH       TYR   1   7.365  -2.899  -1.834
   10    H    ALA   2           H        ALA   2   2.664  -3.558  -4.648
   11    HA   ALA   2           HA       ALA   2   1.894  -0.996  -5.868
   12    HB1  ALA   2           1HB      ALA   2   4.521  -2.432  -5.655
   13    HB2  ALA   2           2HB      ALA   2   4.267  -1.125  -6.813
   14    HB3  ALA   2           3HB      ALA   2   4.092  -0.818  -5.086
   15    H    GLU   3           H        GLU   3   0.637  -1.295  -7.597
   16    HA   GLU   3           HA       GLU   3   1.440  -3.354  -9.546
   17    HB2  GLU   3           2HB      GLU   3  -0.974  -3.486 -10.184
   18    HB3  GLU   3           3HB      GLU   3  -0.625  -4.065  -8.561
   19    HG2  GLU   3           2HG      GLU   3  -1.389  -1.916  -7.649
   20    HG3  GLU   3           3HG      GLU   3  -1.787  -1.384  -9.282
   21    H    LYS   4           H        LYS   4   0.127  -0.137  -9.022
   22    HA   LYS   4           HA       LYS   4   0.483   0.463 -11.879
   23    HB2  LYS   4           2HB      LYS   4  -1.755   0.896 -10.802
   24    HB3  LYS   4           3HB      LYS   4  -0.972   2.126  -9.820
   25    HG2  LYS   4           2HG      LYS   4  -1.793   3.417 -11.507
   26    HG3  LYS   4           3HG      LYS   4  -0.199   3.037 -12.162
   27    HD2  LYS   4           2HD      LYS   4  -1.521   2.554 -13.973
   28    HD3  LYS   4           3HD      LYS   4  -1.470   0.975 -13.185
   29    HE2  LYS   4           2HE      LYS   4  -3.629   2.900 -12.455
   30    HE3  LYS   4           3HE      LYS   4  -3.747   2.016 -13.976
   31    HZ1  LYS   4           3HZ      LYS   4  -4.126   1.084 -11.287
   32    HZ2  LYS   4           1HZ      LYS   4  -3.093   0.090 -12.186
   33    HZ3  LYS   4           2HZ      LYS   4  -4.655   0.413 -12.748
   34    H    VAL   5           H        VAL   5   1.591   1.224  -8.682
   35    HA   VAL   5           HA       VAL   5   2.871   3.681  -9.236
   36    HB   VAL   5           HB       VAL   5   3.717   1.654  -7.165
   37   HG11  VAL   5          1HG1      VAL   5   4.200   3.948  -5.984
   38   HG12  VAL   5          2HG1      VAL   5   5.359   3.256  -7.120
   39   HG13  VAL   5          3HG1      VAL   5   4.270   4.542  -7.642
   40   HG21  VAL   5          3HG2      VAL   5   2.145   3.626  -5.959
   41   HG22  VAL   5          1HG2      VAL   5   1.259   3.133  -7.403
   42   HG23  VAL   5          2HG2      VAL   5   1.730   1.929  -6.203
   43    H    ALA   6           H        ALA   6   3.729   0.388  -9.869
   44    HA   ALA   6           HA       ALA   6   6.392   1.265 -10.783
   45    HB1  ALA   6           1HB      ALA   6   6.886  -1.279 -10.584
   46    HB2  ALA   6           2HB      ALA   6   6.879  -0.276  -9.133
   47    HB3  ALA   6           3HB      ALA   6   5.483  -1.284  -9.515
   48    H    GLN   7           H        GLN   7   3.818   1.327 -12.237
   49    HA   GLN   7           HA       GLN   7   4.486  -0.538 -14.419
   50    HB2  GLN   7           2HB      GLN   7   2.336  -1.117 -13.553
   51    HB3  GLN   7           3HB      GLN   7   1.819   0.564 -13.540
   52    HG2  GLN   7           2HG      GLN   7   0.864  -0.841 -15.375
   53    HG3  GLN   7           3HG      GLN   7   1.673   0.635 -15.898
   54   HE21  GLN   7          1HE2      GLN   7   2.150  -0.060 -17.937
   55   HE22  GLN   7          2HE2      GLN   7   3.282  -1.321 -18.273
   56    H    GLU   8           H        GLU   8   3.889   2.746 -13.499
   57    HA   GLU   8           HA       GLU   8   3.454   3.842 -16.068
   58    HB2  GLU   8           2HB      GLU   8   4.501   5.060 -13.512
   59    HB3  GLU   8           3HB      GLU   8   4.190   5.996 -14.968
   60    HG2  GLU   8           2HG      GLU   8   1.999   4.287 -13.938
   61    HG3  GLU   8           3HG      GLU   8   2.403   5.746 -13.034
   62    H    LYS   9           H        LYS   9   6.304   2.836 -14.379
   63    HA   LYS   9           HA       LYS   9   8.015   4.088 -16.414
   64    HB2  LYS   9           2HB      LYS   9   8.421   3.262 -13.589
   65    HB3  LYS   9           3HB      LYS   9   9.796   3.094 -14.673
   66    HG2  LYS   9           2HG      LYS   9   9.799   5.231 -13.473
   67    HG3  LYS   9           3HG      LYS   9   9.700   5.444 -15.222
   68    HD2  LYS   9           2HD      LYS   9   8.172   6.959 -14.085
   69    HD3  LYS   9           3HD      LYS   9   7.276   5.773 -15.036
   70    HE2  LYS   9           2HE      LYS   9   6.448   4.715 -13.189
   71    HE3  LYS   9           3HE      LYS   9   7.843   5.128 -12.193
   72    HZ1  LYS   9           3HZ      LYS   9   5.766   7.067 -13.054
   73    HZ2  LYS   9           1HZ      LYS   9   7.040   7.360 -11.980
   74    HZ3  LYS   9           2HZ      LYS   9   5.794   6.303 -11.545
   75    H    GLY  10           H        GLY  10   8.364   1.113 -14.489
   76    HA2  GLY  10           2HA      GLY  10   7.980  -0.741 -16.528
   77    HA3  GLY  10           3HA      GLY  10   9.675  -0.280 -16.580
   78    H    PHE  11           H        PHE  11  10.529  -2.212 -15.923
   79    HA   PHE  11           HA       PHE  11   9.602  -3.375 -13.411
   80    HB2  PHE  11           2HB      PHE  11  10.020  -4.809 -15.429
   81    HB3  PHE  11           3HB      PHE  11  11.731  -4.418 -15.287
   82    HD1  PHE  11           HD2      PHE  11  12.974  -5.128 -13.233
   83    HD2  PHE  11           HD1      PHE  11   9.036  -6.483 -14.110
   84    HE1  PHE  11           HE2      PHE  11  13.269  -6.992 -11.656
   85    HE2  PHE  11           HE1      PHE  11   9.324  -8.350 -12.533
   86    HZ   PHE  11           HZ       PHE  11  11.443  -8.607 -11.304
   87    H    LEU  12           H        LEU  12  12.647  -2.267 -14.884
   88    HA   LEU  12           HA       LEU  12  14.311  -2.594 -12.690
   89    HB2  LEU  12           2HB      LEU  12  14.462  -0.337 -14.678
   90    HB3  LEU  12           3HB      LEU  12  15.784  -0.999 -13.720
   91    HG   LEU  12           HG       LEU  12  14.370  -2.799 -15.626
   92   HD11  LEU  12          1HD1      LEU  12  16.647  -1.180 -16.642
   93   HD12  LEU  12          2HD1      LEU  12  15.033  -0.470 -16.660
   94   HD13  LEU  12          3HD1      LEU  12  15.342  -1.977 -17.521
   95   HD21  LEU  12          3HD2      LEU  12  16.950  -2.636 -14.209
   96   HD22  LEU  12          1HD2      LEU  12  17.007  -3.282 -15.849
   97   HD23  LEU  12          2HD2      LEU  12  15.973  -4.041 -14.638
   98    H    TYR  13           H        TYR  13  11.889  -0.189 -13.302
   99    HA   TYR  13           HA       TYR  13  12.694   1.887 -11.656
  100    HB2  TYR  13           2HB      TYR  13  10.775   2.172 -13.057
  101    HB3  TYR  13           3HB      TYR  13   9.929   0.842 -12.275
  102    HD1  TYR  13           HD1      TYR  13  10.937   4.352 -11.986
  103    HD2  TYR  13           HD2      TYR  13   8.868   1.141 -10.112
  104    HE1  TYR  13           HE1      TYR  13   9.895   5.942 -10.426
  105    HE2  TYR  13           HE2      TYR  13   7.819   2.722  -8.547
  106    HH   TYR  13           HH       TYR  13   8.883   5.691  -7.946
  107    H    ARG  14           H        ARG  14  11.131  -1.155 -10.824
  108    HA   ARG  14           HA       ARG  14  10.614  -0.507  -8.108
  109    HB2  ARG  14           2HB      ARG  14  10.772  -3.101  -9.626
  110    HB3  ARG  14           3HB      ARG  14  10.492  -3.065  -7.891
  111    HG2  ARG  14           2HG      ARG  14   8.384  -2.239  -8.104
  112    HG3  ARG  14           3HG      ARG  14   8.751  -1.384  -9.603
  113    HD2  ARG  14           2HD      ARG  14   8.380  -3.226 -10.906
  114    HD3  ARG  14           3HD      ARG  14   8.839  -4.353  -9.630
  115    HE   ARG  14           HE       ARG  14   6.465  -3.052  -8.888
  116   HH11  ARG  14          1HH1      ARG  14   7.636  -5.373 -11.204
  117   HH12  ARG  14          2HH1      ARG  14   6.117  -6.193 -11.346
  118   HH21  ARG  14          1HH2      ARG  14   4.460  -4.123  -9.066
  119   HH22  ARG  14          2HH2      ARG  14   4.310  -5.481 -10.130
  120    H    LEU  15           H        LEU  15  13.407  -1.623  -9.823
  121    HA   LEU  15           HA       LEU  15  14.801  -2.621  -7.524
  122    HB2  LEU  15           2HB      LEU  15  15.751  -1.877 -10.285
  123    HB3  LEU  15           3HB      LEU  15  16.770  -2.616  -9.051
  124    HG   LEU  15           HG       LEU  15  14.379  -3.858 -10.406
  125   HD11  LEU  15          1HD1      LEU  15  16.412  -3.772 -11.767
  126   HD12  LEU  15          2HD1      LEU  15  16.006  -5.423 -11.302
  127   HD13  LEU  15          3HD1      LEU  15  17.308  -4.569 -10.474
  128   HD21  LEU  15          3HD2      LEU  15  14.937  -5.868  -9.114
  129   HD22  LEU  15          1HD2      LEU  15  14.451  -4.530  -8.073
  130   HD23  LEU  15          2HD2      LEU  15  16.157  -4.951  -8.228
  131    H    THR  16           H        THR  16  14.185  -0.517  -6.358
  132    HA   THR  16           HA       THR  16  16.455   1.340  -6.609
  133    HB   THR  16           HB       THR  16  14.998   3.220  -6.004
  134    HG1  THR  16           HG1      THR  16  12.657   2.766  -6.205
  135   HG21  THR  16          3HG2      THR  16  15.269   3.146  -8.302
  136   HG22  THR  16          1HG2      THR  16  13.514   3.106  -8.148
  137   HG23  THR  16          2HG2      THR  16  14.406   1.617  -8.460
  138    H    SER  17           H        SER  17  16.204   2.909  -4.502
  139    HA   SER  17           HA       SER  17  16.750   1.150  -2.299
  140    HB2  SER  17           2HB      SER  17  17.990   3.305  -2.788
  141    HB3  SER  17           3HB      SER  17  16.562   4.166  -2.215
  142    HG   SER  17           HG       SER  17  17.986   3.920  -0.507
  143    H    ARG  18           H        ARG  18  14.354   3.712  -2.911
  144    HA   ARG  18           HA       ARG  18  12.934   3.559  -0.547
  145    HB2  ARG  18           2HB      ARG  18  12.265   4.370  -3.331
  146    HB3  ARG  18           3HB      ARG  18  10.929   4.131  -2.212
  147    HG2  ARG  18           2HG      ARG  18  11.348   6.362  -1.932
  148    HG3  ARG  18           3HG      ARG  18  12.344   5.672  -0.649
  149    HD2  ARG  18           2HD      ARG  18  13.571   7.379  -1.878
  150    HD3  ARG  18           3HD      ARG  18  14.303   5.791  -2.107
  151    HE   ARG  18           HE       ARG  18  12.446   6.389  -4.176
  152   HH11  ARG  18          1HH1      ARG  18  15.672   7.062  -3.055
  153   HH12  ARG  18          2HH1      ARG  18  16.287   7.420  -4.635
  154   HH21  ARG  18          1HH2      ARG  18  13.243   6.857  -6.261
  155   HH22  ARG  18          2HH2      ARG  18  14.904   7.304  -6.458
  156    H    TYR  19           H        TYR  19  12.467   1.666  -3.514
  157    HA   TYR  19           HA       TYR  19  10.212   0.237  -2.803
  158    HB2  TYR  19           2HB      TYR  19  11.067   0.061  -5.031
  159    HB3  TYR  19           3HB      TYR  19  12.599  -0.589  -4.458
  160    HD1  TYR  19           HD1      TYR  19   9.001  -1.343  -4.873
  161    HD2  TYR  19           HD2      TYR  19  12.873  -2.912  -4.066
  162    HE1  TYR  19           HE1      TYR  19   8.126  -3.626  -5.145
  163    HE2  TYR  19           HE2      TYR  19  12.009  -5.199  -4.337
  164    HH   TYR  19           HH       TYR  19   9.441  -6.029  -5.844
  165    H    ARG  20           H        ARG  20  13.598  -0.435  -2.027
  166    HA   ARG  20           HA       ARG  20  13.365  -2.935  -0.884
  167    HB2  ARG  20           2HB      ARG  20  15.128  -0.681   0.093
  168    HB3  ARG  20           3HB      ARG  20  15.372  -2.396   0.398
  169    HG2  ARG  20           2HG      ARG  20  15.166  -2.012  -2.409
  170    HG3  ARG  20           3HG      ARG  20  16.314  -0.838  -1.763
  171    HD2  ARG  20           2HD      ARG  20  16.377  -3.830  -1.407
  172    HD3  ARG  20           3HD      ARG  20  17.494  -2.850  -2.357
  173    HE   ARG  20           HE       ARG  20  17.694  -1.834   0.161
  174   HH11  ARG  20          1HH1      ARG  20  18.023  -5.011  -1.225
  175   HH12  ARG  20          2HH1      ARG  20  19.182  -5.545  -0.053
  176   HH21  ARG  20          1HH2      ARG  20  19.219  -2.525   1.710
  177   HH22  ARG  20          2HH2      ARG  20  19.861  -4.130   1.617
  178    H    HIS  21           H        HIS  21  13.089   0.209   0.772
  179    HA   HIS  21           HA       HIS  21  12.372  -0.900   3.279
  180    HB2  HIS  21           2HB      HIS  21  11.855   1.879   2.199
  181    HB3  HIS  21           3HB      HIS  21  11.746   1.398   3.890
  182    HD1  HIS  21           HD1      HIS  21  14.129   0.433   4.883
  183    HD2  HIS  21           HD2      HIS  21  14.286   2.843   1.502
  184    HE1  HIS  21           HE1      HIS  21  16.504   1.249   4.749
  185    H    TYR  22           H        TYR  22  10.580  -0.126   0.418
  186    HA   TYR  22           HA       TYR  22   8.006  -0.052   1.674
  187    HB2  TYR  22           2HB      TYR  22   8.964  -0.143  -1.171
  188    HB3  TYR  22           3HB      TYR  22   7.259  -0.373  -0.798
  189    HD1  TYR  22           HD2      TYR  22   6.687   1.518   1.282
  190    HD2  TYR  22           HD1      TYR  22   9.262   1.959  -2.076
  191    HE1  TYR  22           HE2      TYR  22   6.375   3.957   1.370
  192    HE2  TYR  22           HE1      TYR  22   8.958   4.399  -1.996
  193    HH   TYR  22           HH       TYR  22   8.291   6.124  -0.524
  194    H    ALA  23           H        ALA  23  10.115  -2.521   0.562
  195    HA   ALA  23           HA       ALA  23   7.951  -4.509   0.794
  196    HB1  ALA  23           1HB      ALA  23   8.608  -5.117  -1.251
  197    HB2  ALA  23           2HB      ALA  23  10.112  -4.201  -1.137
  198    HB3  ALA  23           3HB      ALA  23  10.013  -5.823  -0.452
  199    H    ALA  24           H        ALA  24  10.288  -3.205   2.574
  200    HA   ALA  24           HA       ALA  24  11.201  -5.750   3.735
  201    HB1  ALA  24           1HB      ALA  24  13.034  -4.352   3.075
  202    HB2  ALA  24           2HB      ALA  24  12.358  -2.975   3.947
  203    HB3  ALA  24           3HB      ALA  24  12.955  -4.375   4.837
  204    H    PHE  25           H        PHE  25   8.928  -3.376   4.173
  205    HA   PHE  25           HA       PHE  25   8.788  -3.924   7.065
  206    HB2  PHE  25           2HB      PHE  25   8.199  -1.356   5.591
  207    HB3  PHE  25           3HB      PHE  25   7.655  -1.657   7.238
  208    HD1  PHE  25           HD2      PHE  25  10.791  -1.840   5.223
  209    HD2  PHE  25           HD1      PHE  25   8.967  -0.875   8.945
  210    HE1  PHE  25           HE2      PHE  25  12.959  -1.051   6.077
  211    HE2  PHE  25           HE1      PHE  25  11.132  -0.085   9.805
  212    HZ   PHE  25           HZ       PHE  25  13.132  -0.173   8.371
  213    H    GLU  26           H        GLU  26   6.909  -3.015   4.189
  214    HA   GLU  26           HA       GLU  26   4.355  -3.363   5.182
  215    HB2  GLU  26           2HB      GLU  26   5.598  -3.495   2.497
  216    HB3  GLU  26           3HB      GLU  26   4.017  -4.246   2.655
  217    HG2  GLU  26           2HG      GLU  26   4.373  -1.514   3.751
  218    HG3  GLU  26           3HG      GLU  26   4.305  -1.707   2.000
  219    H    ARG  27           H        ARG  27   6.613  -5.782   3.961
  220    HA   ARG  27           HA       ARG  27   5.035  -7.859   5.267
  221    HB2  ARG  27           2HB      ARG  27   5.573  -7.690   2.332
  222    HB3  ARG  27           3HB      ARG  27   5.555  -9.272   3.100
  223    HG2  ARG  27           2HG      ARG  27   3.313  -9.180   3.560
  224    HG3  ARG  27           3HG      ARG  27   3.282  -7.415   3.587
  225    HD2  ARG  27           2HD      ARG  27   2.189  -7.904   1.606
  226    HD3  ARG  27           3HD      ARG  27   3.842  -7.610   1.068
  227    HE   ARG  27           HE       ARG  27   3.418 -10.362   1.628
  228   HH11  ARG  27          1HH1      ARG  27   2.783  -7.886  -0.735
  229   HH12  ARG  27          2HH1      ARG  27   2.683  -8.995  -2.062
  230   HH21  ARG  27          1HH2      ARG  27   3.290 -11.832  -0.111
  231   HH22  ARG  27          2HH2      ARG  27   2.971 -11.240  -1.706
  232    H    ALA  28           H        ALA  28   7.957  -7.105   3.397
  233    HA   ALA  28           HA       ALA  28  10.131  -7.731   3.648
  234    HB1  ALA  28           1HB      ALA  28  10.604  -7.130   5.740
  235    HB2  ALA  28           2HB      ALA  28   9.043  -7.694   6.338
  236    HB3  ALA  28           3HB      ALA  28  10.384  -8.827   6.170
  237    H    THR  29           H        THR  29   7.856  -9.716   3.023
  238    HA   THR  29           HA       THR  29   8.911 -12.260   3.859
  239    HB   THR  29           HB       THR  29   6.461 -11.786   3.385
  240    HG1  THR  29           HG1      THR  29   6.218 -13.907   2.395
  241   HG21  THR  29          3HG2      THR  29   7.020 -10.656   1.161
  242   HG22  THR  29          1HG2      THR  29   5.655 -11.771   1.173
  243   HG23  THR  29          2HG2      THR  29   7.208 -12.286   0.515
  244    H    PHE  30           H        PHE  30   9.180 -10.183   1.068
  245    HA   PHE  30           HA       PHE  30  10.043 -11.917  -0.889
  246    HB2  PHE  30           2HB      PHE  30  11.234  -9.185  -0.389
  247    HB3  PHE  30           3HB      PHE  30  11.137 -10.038  -1.926
  248    HD1  PHE  30           HD1      PHE  30   8.905 -10.393  -2.987
  249    HD2  PHE  30           HD2      PHE  30   9.453  -7.861   0.390
  250    HE1  PHE  30           HE1      PHE  30   6.748  -9.307  -3.456
  251    HE2  PHE  30           HE2      PHE  30   7.297  -6.771  -0.073
  252    HZ   PHE  30           HZ       PHE  30   5.940  -7.494  -1.997
  Start of MODEL    7
    1    H1   TYR   1           H        TYR   1   1.568  -5.368  -3.565
    2    HA   TYR   1           HA       TYR   1  -0.675  -3.471  -3.597
    3    HB2  TYR   1           2HB      TYR   1   0.432  -2.337  -1.760
    4    HB3  TYR   1           3HB      TYR   1   0.287  -4.051  -1.386
    5    HD1  TYR   1           HD1      TYR   1   2.602  -1.331  -2.193
    6    HD2  TYR   1           HD2      TYR   1   2.255  -5.472  -1.278
    7    HE1  TYR   1           HE1      TYR   1   5.023  -1.434  -1.770
    8    HE2  TYR   1           HE2      TYR   1   4.675  -5.586  -0.852
    9    HH   TYR   1           HH       TYR   1   6.609  -4.493  -0.915
   10    H    ALA   2           H        ALA   2   2.629  -3.940  -4.613
   11    HA   ALA   2           HA       ALA   2   2.724  -1.217  -5.706
   12    HB1  ALA   2           1HB      ALA   2   4.605  -2.098  -4.270
   13    HB2  ALA   2           2HB      ALA   2   4.999  -3.182  -5.605
   14    HB3  ALA   2           3HB      ALA   2   5.074  -1.435  -5.836
   15    H    GLU   3           H        GLU   3   1.004  -2.310  -7.209
   16    HA   GLU   3           HA       GLU   3   2.403  -3.510  -9.507
   17    HB2  GLU   3           2HB      GLU   3   0.564  -4.846  -8.360
   18    HB3  GLU   3           3HB      GLU   3  -0.562  -3.648  -8.982
   19    HG2  GLU   3           2HG      GLU   3   0.565  -4.219 -11.271
   20    HG3  GLU   3           3HG      GLU   3   1.012  -5.708 -10.441
   21    H    LYS   4           H        LYS   4   0.402  -0.908  -8.404
   22    HA   LYS   4           HA       LYS   4  -0.253   0.027 -11.059
   23    HB2  LYS   4           2HB      LYS   4  -1.774   0.333  -9.101
   24    HB3  LYS   4           3HB      LYS   4  -0.596   1.441  -8.409
   25    HG2  LYS   4           2HG      LYS   4  -0.969   3.054 -10.053
   26    HG3  LYS   4           3HG      LYS   4  -1.749   1.899 -11.136
   27    HD2  LYS   4           2HD      LYS   4  -2.946   2.493  -8.459
   28    HD3  LYS   4           3HD      LYS   4  -3.200   3.603  -9.808
   29    HE2  LYS   4           2HE      LYS   4  -3.749   0.653 -10.012
   30    HE3  LYS   4           3HE      LYS   4  -4.961   1.803  -9.448
   31    HZ1  LYS   4           3HZ      LYS   4  -4.511   1.128 -12.035
   32    HZ2  LYS   4           1HZ      LYS   4  -3.699   2.606 -11.897
   33    HZ3  LYS   4           2HZ      LYS   4  -5.342   2.505 -11.512
   34    H    VAL   5           H        VAL   5   2.189   0.589  -8.654
   35    HA   VAL   5           HA       VAL   5   3.204   2.918 -10.114
   36    HB   VAL   5           HB       VAL   5   4.763   3.183  -8.206
   37   HG11  VAL   5          1HG1      VAL   5   3.170   4.086  -6.703
   38   HG12  VAL   5          2HG1      VAL   5   2.468   4.231  -8.315
   39   HG13  VAL   5          3HG1      VAL   5   1.926   2.952  -7.228
   40   HG21  VAL   5          3HG2      VAL   5   4.442   0.597  -7.695
   41   HG22  VAL   5          1HG2      VAL   5   4.891   1.751  -6.439
   42   HG23  VAL   5          2HG2      VAL   5   3.214   1.227  -6.597
   43    H    ALA   6           H        ALA   6   3.439   0.536 -11.491
   44    HA   ALA   6           HA       ALA   6   6.355   0.167 -11.481
   45    HB1  ALA   6           1HB      ALA   6   5.762  -1.838 -10.510
   46    HB2  ALA   6           2HB      ALA   6   4.244  -1.944 -11.403
   47    HB3  ALA   6           3HB      ALA   6   5.773  -2.261 -12.223
   48    H    GLN   7           H        GLN   7   3.326  -0.173 -13.288
   49    HA   GLN   7           HA       GLN   7   4.533  -0.582 -15.816
   50    HB2  GLN   7           2HB      GLN   7   2.333  -0.169 -16.742
   51    HB3  GLN   7           3HB      GLN   7   2.186  -1.170 -15.303
   52    HG2  GLN   7           2HG      GLN   7   0.480   0.326 -14.997
   53    HG3  GLN   7           3HG      GLN   7   1.784   1.098 -14.097
   54   HE21  GLN   7          1HE2      GLN   7   0.979   3.153 -14.302
   55   HE22  GLN   7          2HE2      GLN   7   0.943   4.006 -15.804
   56    H    GLU   8           H        GLU   8   3.870   2.245 -13.927
   57    HA   GLU   8           HA       GLU   8   3.739   4.239 -15.831
   58    HB2  GLU   8           2HB      GLU   8   4.837   4.150 -13.044
   59    HB3  GLU   8           3HB      GLU   8   5.023   5.608 -14.008
   60    HG2  GLU   8           2HG      GLU   8   2.430   4.275 -13.265
   61    HG3  GLU   8           3HG      GLU   8   3.073   5.772 -12.595
   62    H    LYS   9           H        LYS   9   6.488   2.377 -14.777
   63    HA   LYS   9           HA       LYS   9   8.145   3.793 -16.756
   64    HB2  LYS   9           2HB      LYS   9   8.779   3.051 -13.930
   65    HB3  LYS   9           3HB      LYS   9  10.072   3.039 -15.122
   66    HG2  LYS   9           2HG      LYS   9   8.329   5.443 -14.927
   67    HG3  LYS   9           3HG      LYS   9   9.563   5.175 -13.693
   68    HD2  LYS   9           2HD      LYS   9  11.154   4.816 -15.702
   69    HD3  LYS   9           3HD      LYS   9   9.898   5.629 -16.638
   70    HE2  LYS   9           2HE      LYS   9  10.066   7.367 -14.642
   71    HE3  LYS   9           3HE      LYS   9  11.690   6.692 -14.518
   72    HZ1  LYS   9           3HZ      LYS   9  12.331   7.786 -16.327
   73    HZ2  LYS   9           1HZ      LYS   9  10.893   8.669 -16.220
   74    HZ3  LYS   9           2HZ      LYS   9  10.975   7.305 -17.216
   75    H    GLY  10           H        GLY  10   8.512   0.913 -14.682
   76    HA2  GLY  10           2HA      GLY  10   8.133  -1.033 -16.625
   77    HA3  GLY  10           3HA      GLY  10   9.828  -0.577 -16.709
   78    H    PHE  11           H        PHE  11  10.716  -2.445 -15.948
   79    HA   PHE  11           HA       PHE  11   9.785  -3.513 -13.396
   80    HB2  PHE  11           2HB      PHE  11  10.150  -5.157 -15.122
   81    HB3  PHE  11           3HB      PHE  11  11.778  -4.553 -15.417
   82    HD1  PHE  11           HD1      PHE  11   9.666  -6.103 -12.780
   83    HD2  PHE  11           HD2      PHE  11  13.585  -5.511 -14.332
   84    HE1  PHE  11           HE1      PHE  11  10.553  -7.713 -11.144
   85    HE2  PHE  11           HE2      PHE  11  14.478  -7.121 -12.700
   86    HZ   PHE  11           HZ       PHE  11  12.962  -8.225 -11.104
   87    H    LEU  12           H        LEU  12  12.729  -2.220 -14.885
   88    HA   LEU  12           HA       LEU  12  14.427  -2.487 -12.678
   89    HB2  LEU  12           2HB      LEU  12  14.480  -0.330 -14.782
   90    HB3  LEU  12           3HB      LEU  12  15.821  -0.811 -13.744
   91    HG   LEU  12           HG       LEU  12  14.590  -2.813 -15.591
   92   HD11  LEU  12          1HD1      LEU  12  15.280  -0.502 -16.689
   93   HD12  LEU  12          2HD1      LEU  12  15.625  -2.047 -17.465
   94   HD13  LEU  12          3HD1      LEU  12  16.890  -1.213 -16.563
   95   HD21  LEU  12          3HD2      LEU  12  16.152  -3.833 -14.237
   96   HD22  LEU  12          1HD2      LEU  12  17.189  -2.407 -14.177
   97   HD23  LEU  12          2HD2      LEU  12  17.131  -3.393 -15.638
   98    H    TYR  13           H        TYR  13  12.010  -0.088 -13.455
   99    HA   TYR  13           HA       TYR  13  12.757   1.983 -11.762
  100    HB2  TYR  13           2HB      TYR  13  10.968   2.319 -13.319
  101    HB3  TYR  13           3HB      TYR  13  10.019   1.022 -12.601
  102    HD1  TYR  13           HD1      TYR  13  11.255   4.462 -12.100
  103    HD2  TYR  13           HD2      TYR  13   8.657   1.407 -10.680
  104    HE1  TYR  13           HE1      TYR  13  10.144   6.096 -10.635
  105    HE2  TYR  13           HE2      TYR  13   7.538   3.033  -9.212
  106    HH   TYR  13           HH       TYR  13   8.513   5.507  -8.128
  107    H    ARG  14           H        ARG  14  10.813  -0.899 -11.066
  108    HA   ARG  14           HA       ARG  14  10.126  -0.277  -8.428
  109    HB2  ARG  14           2HB      ARG  14  10.338  -2.794 -10.013
  110    HB3  ARG  14           3HB      ARG  14  10.181  -2.927  -8.266
  111    HG2  ARG  14           2HG      ARG  14   8.085  -1.819  -8.282
  112    HG3  ARG  14           3HG      ARG  14   8.280  -1.340  -9.969
  113    HD2  ARG  14           2HD      ARG  14   8.317  -4.236  -9.245
  114    HD3  ARG  14           3HD      ARG  14   6.776  -3.384  -9.332
  115    HE   ARG  14           HE       ARG  14   8.303  -2.891 -11.660
  116   HH11  ARG  14          1HH1      ARG  14   6.422  -5.368 -10.096
  117   HH12  ARG  14          2HH1      ARG  14   5.976  -6.148 -11.577
  118   HH21  ARG  14          1HH2      ARG  14   7.723  -3.909 -13.617
  119   HH22  ARG  14          2HH2      ARG  14   6.717  -5.317 -13.580
  120    H    LEU  15           H        LEU  15  13.087  -1.473  -9.803
  121    HA   LEU  15           HA       LEU  15  14.225  -2.388  -7.343
  122    HB2  LEU  15           2HB      LEU  15  15.656  -1.601  -9.874
  123    HB3  LEU  15           3HB      LEU  15  16.274  -2.623  -8.578
  124    HG   LEU  15           HG       LEU  15  14.028  -3.322 -10.468
  125   HD11  LEU  15          1HD1      LEU  15  15.606  -4.989 -11.329
  126   HD12  LEU  15          2HD1      LEU  15  16.859  -4.340 -10.271
  127   HD13  LEU  15          3HD1      LEU  15  16.193  -3.342 -11.564
  128   HD21  LEU  15          3HD2      LEU  15  14.149  -5.540  -9.436
  129   HD22  LEU  15          1HD2      LEU  15  13.689  -4.303  -8.267
  130   HD23  LEU  15          2HD2      LEU  15  15.336  -4.935  -8.279
  131    H    THR  16           H        THR  16  13.644  -0.413  -6.121
  132    HA   THR  16           HA       THR  16  15.867   1.497  -6.222
  133    HB   THR  16           HB       THR  16  14.147   3.299  -5.561
  134    HG1  THR  16           HG1      THR  16  12.358   1.672  -7.034
  135   HG21  THR  16          3HG2      THR  16  14.947   3.876  -7.584
  136   HG22  THR  16          1HG2      THR  16  13.415   3.248  -8.190
  137   HG23  THR  16          2HG2      THR  16  14.852   2.226  -8.199
  138    H    SER  17           H        SER  17  16.175   2.679  -4.208
  139    HA   SER  17           HA       SER  17  16.187   1.041  -1.964
  140    HB2  SER  17           2HB      SER  17  17.482   3.253  -2.473
  141    HB3  SER  17           3HB      SER  17  16.114   4.028  -1.674
  142    HG   SER  17           HG       SER  17  17.747   3.553  -0.177
  143    H    ARG  18           H        ARG  18  14.000   3.752  -2.704
  144    HA   ARG  18           HA       ARG  18  12.420   3.678  -0.443
  145    HB2  ARG  18           2HB      ARG  18  11.953   4.506  -3.270
  146    HB3  ARG  18           3HB      ARG  18  10.563   4.391  -2.199
  147    HG2  ARG  18           2HG      ARG  18  11.219   6.617  -2.051
  148    HG3  ARG  18           3HG      ARG  18  11.901   5.874  -0.603
  149    HD2  ARG  18           2HD      ARG  18  14.060   5.968  -1.411
  150    HD3  ARG  18           3HD      ARG  18  13.538   6.013  -3.094
  151    HE   ARG  18           HE       ARG  18  12.629   8.352  -1.959
  152   HH11  ARG  18          1HH1      ARG  18  15.708   6.807  -2.460
  153   HH12  ARG  18          2HH1      ARG  18  16.585   8.297  -2.572
  154   HH21  ARG  18          1HH2      ARG  18  13.772  10.321  -2.105
  155   HH22  ARG  18          2HH2      ARG  18  15.483  10.295  -2.370
  156    H    TYR  19           H        TYR  19  12.135   1.749  -3.396
  157    HA   TYR  19           HA       TYR  19   9.739   0.428  -2.643
  158    HB2  TYR  19           2HB      TYR  19  10.323   0.477  -4.963
  159    HB3  TYR  19           3HB      TYR  19  11.891  -0.257  -4.648
  160    HD1  TYR  19           HD2      TYR  19   8.269  -0.883  -4.852
  161    HD2  TYR  19           HD1      TYR  19  12.122  -2.631  -4.402
  162    HE1  TYR  19           HE2      TYR  19   7.301  -3.107  -5.260
  163    HE2  TYR  19           HE1      TYR  19  11.165  -4.860  -4.810
  164    HH   TYR  19           HH       TYR  19   8.299  -5.722  -4.465
  165    H    ARG  20           H        ARG  20  13.167  -0.430  -2.387
  166    HA   ARG  20           HA       ARG  20  12.792  -3.019  -1.345
  167    HB2  ARG  20           2HB      ARG  20  15.075  -1.062  -1.217
  168    HB3  ARG  20           3HB      ARG  20  15.160  -2.625  -0.417
  169    HG2  ARG  20           2HG      ARG  20  15.395  -3.758  -2.353
  170    HG3  ARG  20           3HG      ARG  20  14.347  -2.658  -3.251
  171    HD2  ARG  20           2HD      ARG  20  16.135  -1.652  -4.095
  172    HD3  ARG  20           3HD      ARG  20  16.644  -1.202  -2.468
  173    HE   ARG  20           HE       ARG  20  17.739  -3.283  -4.108
  174   HH11  ARG  20          1HH1      ARG  20  17.226  -2.215  -0.834
  175   HH12  ARG  20          2HH1      ARG  20  18.561  -3.115  -0.193
  176   HH21  ARG  20          1HH2      ARG  20  19.499  -4.472  -3.276
  177   HH22  ARG  20          2HH2      ARG  20  19.854  -4.397  -1.584
  178    H    HIS  21           H        HIS  21  12.625   0.125   0.101
  179    HA   HIS  21           HA       HIS  21  12.942  -0.749   2.809
  180    HB2  HIS  21           2HB      HIS  21  12.114   1.799   1.476
  181    HB3  HIS  21           3HB      HIS  21  11.790   1.588   3.194
  182    HD1  HIS  21           HD1      HIS  21  14.905   0.067   1.894
  183    HD2  HIS  21           HD2      HIS  21  13.721   3.617   3.699
  184    HE1  HIS  21           HE1      HIS  21  17.032   1.188   2.631
  185    H    TYR  22           H        TYR  22  10.116   0.438   0.980
  186    HA   TYR  22           HA       TYR  22   8.186  -0.094   2.903
  187    HB2  TYR  22           2HB      TYR  22   7.915  -0.186  -0.109
  188    HB3  TYR  22           3HB      TYR  22   6.570  -0.116   1.024
  189    HD1  TYR  22           HD2      TYR  22   7.349   1.875   2.954
  190    HD2  TYR  22           HD1      TYR  22   8.018   1.823  -1.247
  191    HE1  TYR  22           HE2      TYR  22   7.468   4.332   2.948
  192    HE2  TYR  22           HE1      TYR  22   8.140   4.279  -1.265
  193    HH   TYR  22           HH       TYR  22   7.836   6.147  -0.070
  194    H    ALA  23           H        ALA  23   9.480  -2.197   0.368
  195    HA   ALA  23           HA       ALA  23   7.739  -4.380   0.894
  196    HB1  ALA  23           1HB      ALA  23   8.591  -4.823  -1.122
  197    HB2  ALA  23           2HB      ALA  23  10.026  -3.839  -0.831
  198    HB3  ALA  23           3HB      ALA  23   9.966  -5.503  -0.251
  199    H    ALA  24           H        ALA  24  10.324  -3.106   2.629
  200    HA   ALA  24           HA       ALA  24  11.058  -5.663   3.843
  201    HB1  ALA  24           1HB      ALA  24  12.383  -3.126   3.454
  202    HB2  ALA  24           2HB      ALA  24  12.475  -3.651   5.135
  203    HB3  ALA  24           3HB      ALA  24  13.064  -4.704   3.850
  204    H    PHE  25           H        PHE  25   8.670  -3.490   4.246
  205    HA   PHE  25           HA       PHE  25   8.503  -4.028   7.133
  206    HB2  PHE  25           2HB      PHE  25   7.488  -1.481   5.879
  207    HB3  PHE  25           3HB      PHE  25   7.695  -1.841   7.590
  208    HD1  PHE  25           HD1      PHE  25  10.383  -2.909   7.733
  209    HD2  PHE  25           HD2      PHE  25   8.861   0.304   5.392
  210    HE1  PHE  25           HE1      PHE  25  12.623  -1.894   7.676
  211    HE2  PHE  25           HE2      PHE  25  11.099   1.324   5.331
  212    HZ   PHE  25           HZ       PHE  25  12.984   0.225   6.473
  213    H    GLU  26           H        GLU  26   6.663  -3.043   4.253
  214    HA   GLU  26           HA       GLU  26   4.100  -3.477   5.168
  215    HB2  GLU  26           2HB      GLU  26   5.413  -3.392   2.545
  216    HB3  GLU  26           3HB      GLU  26   3.942  -4.354   2.571
  217    HG2  GLU  26           2HG      GLU  26   3.885  -1.654   3.807
  218    HG3  GLU  26           3HG      GLU  26   3.901  -1.778   2.048
  219    H    ARG  27           H        ARG  27   6.448  -5.821   3.990
  220    HA   ARG  27           HA       ARG  27   4.871  -7.959   5.184
  221    HB2  ARG  27           2HB      ARG  27   5.442  -7.687   2.269
  222    HB3  ARG  27           3HB      ARG  27   5.492  -9.295   2.979
  223    HG2  ARG  27           2HG      ARG  27   3.133  -7.506   3.411
  224    HG3  ARG  27           3HG      ARG  27   3.294  -8.461   1.936
  225    HD2  ARG  27           2HD      ARG  27   3.592  -9.739   4.627
  226    HD3  ARG  27           3HD      ARG  27   1.993  -9.448   3.943
  227    HE   ARG  27           HE       ARG  27   3.692 -10.783   2.093
  228   HH11  ARG  27          1HH1      ARG  27   1.729 -11.276   4.926
  229   HH12  ARG  27          2HH1      ARG  27   1.418 -12.945   4.580
  230   HH21  ARG  27          1HH2      ARG  27   3.289 -12.979   1.626
  231   HH22  ARG  27          2HH2      ARG  27   2.306 -13.913   2.703
  232    H    ALA  28           H        ALA  28   7.822  -7.086   3.420
  233    HA   ALA  28           HA       ALA  28  10.004  -7.658   3.727
  234    HB1  ALA  28           1HB      ALA  28  10.591  -7.389   5.848
  235    HB2  ALA  28           2HB      ALA  28   8.895  -7.533   6.310
  236    HB3  ALA  28           3HB      ALA  28   9.921  -8.966   6.267
  237    H    THR  29           H        THR  29   7.787  -9.666   2.931
  238    HA   THR  29           HA       THR  29   8.858 -12.228   3.648
  239    HB   THR  29           HB       THR  29   6.434 -11.774   3.056
  240    HG1  THR  29           HG1      THR  29   7.064 -13.899   3.158
  241   HG21  THR  29          3HG2      THR  29   7.116 -10.487   0.945
  242   HG22  THR  29          1HG2      THR  29   5.755 -11.600   0.816
  243   HG23  THR  29          2HG2      THR  29   7.341 -12.072   0.206
  244    H    PHE  30           H        PHE  30   9.244  -9.990   0.995
  245    HA   PHE  30           HA       PHE  30  10.270 -11.599  -0.991
  246    HB2  PHE  30           2HB      PHE  30  11.346  -8.865  -0.285
  247    HB3  PHE  30           3HB      PHE  30  11.369  -9.641  -1.865
  248    HD1  PHE  30           HD2      PHE  30   9.215 -10.004  -3.077
  249    HD2  PHE  30           HD1      PHE  30   9.483  -7.630   0.446
  250    HE1  PHE  30           HE2      PHE  30   7.058  -8.955  -3.624
  251    HE2  PHE  30           HE1      PHE  30   7.326  -6.578  -0.095
  252    HZ   PHE  30           HZ       PHE  30   6.111  -7.239  -2.133
  Start of MODEL    8
    1    H1   TYR   1           H        TYR   1   1.619  -5.502  -2.540
    2    HA   TYR   1           HA       TYR   1   0.178  -3.583  -2.850
    3    HB2  TYR   1           2HB      TYR   1   1.514  -1.796  -1.634
    4    HB3  TYR   1           3HB      TYR   1   1.383  -3.351  -0.820
    5    HD1  TYR   1           HD1      TYR   1   3.324  -4.810  -0.600
    6    HD2  TYR   1           HD2      TYR   1   3.636  -1.020  -2.508
    7    HE1  TYR   1           HE1      TYR   1   5.774  -4.930  -0.425
    8    HE2  TYR   1           HE2      TYR   1   6.087  -1.131  -2.340
    9    HH   TYR   1           HH       TYR   1   7.844  -2.689  -2.047
   10    H    ALA   2           H        ALA   2   1.645  -4.119  -5.366
   11    HA   ALA   2           HA       ALA   2   1.825  -1.333  -6.304
   12    HB1  ALA   2           1HB      ALA   2   4.004  -2.891  -6.117
   13    HB2  ALA   2           2HB      ALA   2   3.456  -3.331  -7.735
   14    HB3  ALA   2           3HB      ALA   2   3.801  -1.645  -7.350
   15    H    GLU   3           H        GLU   3   0.270  -0.926  -7.720
   16    HA   GLU   3           HA       GLU   3  -0.616  -3.101  -9.501
   17    HB2  GLU   3           2HB      GLU   3  -2.235  -0.947  -8.148
   18    HB3  GLU   3           3HB      GLU   3  -2.843  -1.868  -9.516
   19    HG2  GLU   3           2HG      GLU   3  -1.788  -3.317  -7.138
   20    HG3  GLU   3           3HG      GLU   3  -3.392  -2.590  -7.072
   21    H    LYS   4           H        LYS   4  -0.216   0.398  -9.138
   22    HA   LYS   4           HA       LYS   4  -0.179   0.641 -12.072
   23    HB2  LYS   4           2HB      LYS   4  -1.901   1.970 -10.810
   24    HB3  LYS   4           3HB      LYS   4  -0.581   2.856 -10.057
   25    HG2  LYS   4           2HG      LYS   4   0.039   3.873 -12.064
   26    HG3  LYS   4           3HG      LYS   4  -0.858   2.705 -13.037
   27    HD2  LYS   4           2HD      LYS   4  -2.228   4.571 -13.115
   28    HD3  LYS   4           3HD      LYS   4  -2.932   3.643 -11.788
   29    HE2  LYS   4           2HE      LYS   4  -2.031   5.058 -10.165
   30    HE3  LYS   4           3HE      LYS   4  -0.837   5.725 -11.277
   31    HZ1  LYS   4           3HZ      LYS   4  -2.956   6.548 -12.519
   32    HZ2  LYS   4           1HZ      LYS   4  -2.360   7.409 -11.189
   33    HZ3  LYS   4           2HZ      LYS   4  -3.686   6.375 -11.002
   34    H    VAL   5           H        VAL   5   1.533   1.402  -9.102
   35    HA   VAL   5           HA       VAL   5   3.714   2.655 -10.583
   36    HB   VAL   5           HB       VAL   5   4.703   3.075  -8.350
   37   HG11  VAL   5          1HG1      VAL   5   3.408   4.839  -9.214
   38   HG12  VAL   5          2HG1      VAL   5   1.893   3.991  -8.898
   39   HG13  VAL   5          3HG1      VAL   5   2.848   4.624  -7.556
   40   HG21  VAL   5          3HG2      VAL   5   3.633   1.063  -7.284
   41   HG22  VAL   5          1HG2      VAL   5   3.549   2.549  -6.338
   42   HG23  VAL   5          2HG2      VAL   5   2.131   1.985  -7.222
   43    H    ALA   6           H        ALA   6   3.388  -0.014 -11.229
   44    HA   ALA   6           HA       ALA   6   5.757  -1.234  -9.969
   45    HB1  ALA   6           1HB      ALA   6   4.642  -3.104  -9.520
   46    HB2  ALA   6           2HB      ALA   6   3.162  -2.233  -9.922
   47    HB3  ALA   6           3HB      ALA   6   3.988  -3.183 -11.157
   48    H    GLN   7           H        GLN   7   3.753  -1.156 -12.906
   49    HA   GLN   7           HA       GLN   7   5.957  -2.205 -14.488
   50    HB2  GLN   7           2HB      GLN   7   4.382  -2.304 -16.314
   51    HB3  GLN   7           3HB      GLN   7   3.631  -2.984 -14.876
   52    HG2  GLN   7           2HG      GLN   7   1.923  -1.699 -15.648
   53    HG3  GLN   7           3HG      GLN   7   2.723  -0.539 -14.589
   54   HE21  GLN   7          1HE2      GLN   7   2.939  -1.699 -17.937
   55   HE22  GLN   7          2HE2      GLN   7   3.140  -0.137 -18.646
   56    H    GLU   8           H        GLU   8   4.354   0.811 -13.826
   57    HA   GLU   8           HA       GLU   8   5.063   2.346 -16.010
   58    HB2  GLU   8           2HB      GLU   8   4.599   2.941 -13.124
   59    HB3  GLU   8           3HB      GLU   8   5.288   4.205 -14.132
   60    HG2  GLU   8           2HG      GLU   8   2.679   2.782 -14.606
   61    HG3  GLU   8           3HG      GLU   8   2.878   4.420 -13.986
   62    H    LYS   9           H        LYS   9   6.813   3.725 -16.469
   63    HA   LYS   9           HA       LYS   9   9.020   4.214 -16.732
   64    HB2  LYS   9           2HB      LYS   9   8.829   3.822 -13.756
   65    HB3  LYS   9           3HB      LYS   9  10.359   4.228 -14.523
   66    HG2  LYS   9           2HG      LYS   9   7.900   5.883 -14.966
   67    HG3  LYS   9           3HG      LYS   9   8.950   6.132 -13.569
   68    HD2  LYS   9           2HD      LYS   9   9.963   6.125 -16.405
   69    HD3  LYS   9           3HD      LYS   9   9.420   7.589 -15.580
   70    HE2  LYS   9           2HE      LYS   9  11.084   6.853 -13.730
   71    HE3  LYS   9           3HE      LYS   9  11.786   5.849 -14.997
   72    HZ1  LYS   9           3HZ      LYS   9  11.299   8.601 -15.745
   73    HZ2  LYS   9           1HZ      LYS   9  12.646   7.620 -16.038
   74    HZ3  LYS   9           2HZ      LYS   9  12.471   8.392 -14.544
   75    H    GLY  10           H        GLY  10   8.112   1.413 -16.991
   76    HA2  GLY  10           2HA      GLY  10   9.155  -0.546 -17.623
   77    HA3  GLY  10           3HA      GLY  10  10.698   0.219 -17.276
   78    H    PHE  11           H        PHE  11  10.499  -2.368 -16.655
   79    HA   PHE  11           HA       PHE  11   9.499  -2.931 -14.069
   80    HB2  PHE  11           2HB      PHE  11   9.874  -4.752 -15.586
   81    HB3  PHE  11           3HB      PHE  11  11.571  -4.319 -15.773
   82    HD1  PHE  11           HD2      PHE  11  13.182  -4.817 -14.019
   83    HD2  PHE  11           HD1      PHE  11   9.097  -5.958 -13.662
   84    HE1  PHE  11           HE2      PHE  11  13.774  -6.348 -12.187
   85    HE2  PHE  11           HE1      PHE  11   9.682  -7.491 -11.828
   86    HZ   PHE  11           HZ       PHE  11  12.023  -7.688 -11.089
   87    H    LEU  12           H        LEU  12  12.536  -1.670 -15.247
   88    HA   LEU  12           HA       LEU  12  14.161  -2.102 -13.026
   89    HB2  LEU  12           2HB      LEU  12  14.105   0.067 -15.100
   90    HB3  LEU  12           3HB      LEU  12  15.315   0.041 -13.819
   91    HG   LEU  12           HG       LEU  12  15.889  -2.310 -14.677
   92   HD11  LEU  12          1HD1      LEU  12  15.417  -2.235 -17.281
   93   HD12  LEU  12          2HD1      LEU  12  13.991  -1.348 -16.745
   94   HD13  LEU  12          3HD1      LEU  12  14.289  -2.981 -16.149
   95   HD21  LEU  12          3HD2      LEU  12  17.104  -1.165 -16.715
   96   HD22  LEU  12          1HD2      LEU  12  17.559  -0.794 -15.052
   97   HD23  LEU  12          2HD2      LEU  12  16.512   0.309 -15.946
   98    H    TYR  13           H        TYR  13  11.562   0.136 -13.509
   99    HA   TYR  13           HA       TYR  13  12.120   2.135 -11.691
  100    HB2  TYR  13           2HB      TYR  13  10.182   2.312 -13.087
  101    HB3  TYR  13           3HB      TYR  13   9.485   0.845 -12.409
  102    HD1  TYR  13           HD1      TYR  13   8.416   0.869 -10.224
  103    HD2  TYR  13           HD2      TYR  13  10.086   4.415 -11.879
  104    HE1  TYR  13           HE1      TYR  13   7.203   2.210  -8.557
  105    HE2  TYR  13           HE2      TYR  13   8.878   5.766 -10.216
  106    HH   TYR  13           HH       TYR  13   7.523   5.749  -8.462
  107    H    ARG  14           H        ARG  14  10.595  -1.013 -11.081
  108    HA   ARG  14           HA       ARG  14  10.056  -0.688  -8.369
  109    HB2  ARG  14           2HB      ARG  14  10.580  -3.068 -10.109
  110    HB3  ARG  14           3HB      ARG  14  10.447  -3.283  -8.369
  111    HG2  ARG  14           2HG      ARG  14   8.220  -2.799  -8.336
  112    HG3  ARG  14           3HG      ARG  14   8.315  -1.748  -9.751
  113    HD2  ARG  14           2HD      ARG  14   8.126  -3.483 -11.223
  114    HD3  ARG  14           3HD      ARG  14   8.890  -4.635 -10.129
  115    HE   ARG  14           HE       ARG  14   6.512  -4.028  -8.934
  116   HH11  ARG  14          1HH1      ARG  14   7.465  -5.244 -12.054
  117   HH12  ARG  14          2HH1      ARG  14   6.013  -6.160 -12.286
  118   HH21  ARG  14          1HH2      ARG  14   4.596  -5.231  -9.227
  119   HH22  ARG  14          2HH2      ARG  14   4.381  -6.151 -10.678
  120    H    LEU  15           H        LEU  15  13.052  -1.304 -10.013
  121    HA   LEU  15           HA       LEU  15  14.480  -2.164  -7.672
  122    HB2  LEU  15           2HB      LEU  15  15.584  -1.153 -10.287
  123    HB3  LEU  15           3HB      LEU  15  16.447  -2.083  -9.063
  124    HG   LEU  15           HG       LEU  15  14.173  -3.089 -10.773
  125   HD11  LEU  15          1HD1      LEU  15  15.911  -4.513 -11.781
  126   HD12  LEU  15          2HD1      LEU  15  17.133  -3.653 -10.845
  127   HD13  LEU  15          3HD1      LEU  15  16.193  -2.795 -12.066
  128   HD21  LEU  15          3HD2      LEU  15  14.219  -4.099  -8.534
  129   HD22  LEU  15          1HD2      LEU  15  15.906  -4.550  -8.784
  130   HD23  LEU  15          2HD2      LEU  15  14.646  -5.258  -9.794
  131    H    THR  16           H        THR  16  13.422  -0.081  -6.645
  132    HA   THR  16           HA       THR  16  15.372   2.118  -6.871
  133    HB   THR  16           HB       THR  16  13.450   3.423  -5.666
  134    HG1  THR  16           HG1      THR  16  11.945   1.432  -7.040
  135   HG21  THR  16          3HG2      THR  16  13.875   4.331  -7.702
  136   HG22  THR  16          1HG2      THR  16  12.337   3.570  -8.107
  137   HG23  THR  16          2HG2      THR  16  13.853   2.771  -8.523
  138    H    SER  17           H        SER  17  15.313   3.476  -4.718
  139    HA   SER  17           HA       SER  17  16.306   1.731  -2.676
  140    HB2  SER  17           2HB      SER  17  17.038   4.175  -3.322
  141    HB3  SER  17           3HB      SER  17  15.774   4.638  -2.184
  142    HG   SER  17           HG       SER  17  17.604   2.687  -1.385
  143    H    ARG  18           H        ARG  18  13.420   3.709  -3.116
  144    HA   ARG  18           HA       ARG  18  12.385   3.378  -0.505
  145    HB2  ARG  18           2HB      ARG  18  10.759   3.825  -3.008
  146    HB3  ARG  18           3HB      ARG  18  10.345   4.282  -1.361
  147    HG2  ARG  18           2HG      ARG  18  12.539   5.463  -3.050
  148    HG3  ARG  18           3HG      ARG  18  11.007   6.227  -2.620
  149    HD2  ARG  18           2HD      ARG  18  11.776   5.824  -0.180
  150    HD3  ARG  18           3HD      ARG  18  13.378   5.632  -0.891
  151    HE   ARG  18           HE       ARG  18  12.280   8.001  -1.873
  152   HH11  ARG  18          1HH1      ARG  18  13.370   6.658   1.148
  153   HH12  ARG  18          2HH1      ARG  18  13.828   8.190   1.815
  154   HH21  ARG  18          1HH2      ARG  18  12.879  10.025  -1.007
  155   HH22  ARG  18          2HH2      ARG  18  13.547  10.105   0.588
  156    H    TYR  19           H        TYR  19  11.773   1.652  -3.549
  157    HA   TYR  19           HA       TYR  19   9.792  -0.080  -2.702
  158    HB2  TYR  19           2HB      TYR  19  10.371   0.008  -5.023
  159    HB3  TYR  19           3HB      TYR  19  12.024  -0.497  -4.693
  160    HD1  TYR  19           HD2      TYR  19   8.517  -1.625  -4.845
  161    HD2  TYR  19           HD1      TYR  19  12.584  -2.806  -4.439
  162    HE1  TYR  19           HE2      TYR  19   7.866  -3.969  -5.207
  163    HE2  TYR  19           HE1      TYR  19  11.945  -5.154  -4.802
  164    HH   TYR  19           HH       TYR  19   8.548  -6.089  -5.216
  165    H    ARG  20           H        ARG  20  13.314  -0.584  -2.601
  166    HA   ARG  20           HA       ARG  20  13.281  -3.122  -1.434
  167    HB2  ARG  20           2HB      ARG  20  15.329  -0.908  -1.304
  168    HB3  ARG  20           3HB      ARG  20  15.605  -2.515  -0.643
  169    HG2  ARG  20           2HG      ARG  20  14.885  -3.233  -3.092
  170    HG3  ARG  20           3HG      ARG  20  15.482  -1.614  -3.461
  171    HD2  ARG  20           2HD      ARG  20  17.246  -3.283  -3.707
  172    HD3  ARG  20           3HD      ARG  20  17.614  -2.151  -2.406
  173    HE   ARG  20           HE       ARG  20  17.513  -3.886  -0.914
  174   HH11  ARG  20          1HH1      ARG  20  16.057  -4.873  -3.919
  175   HH12  ARG  20          2HH1      ARG  20  15.898  -6.532  -3.448
  176   HH21  ARG  20          1HH2      ARG  20  17.309  -6.068  -0.282
  177   HH22  ARG  20          2HH2      ARG  20  16.610  -7.211  -1.379
  178    H    HIS  21           H        HIS  21  12.767   0.017  -0.063
  179    HA   HIS  21           HA       HIS  21  13.187  -0.826   2.663
  180    HB2  HIS  21           2HB      HIS  21  12.401   1.700   1.297
  181    HB3  HIS  21           3HB      HIS  21  11.921   1.503   2.980
  182    HD1  HIS  21           HD1      HIS  21  15.163   0.031   1.918
  183    HD2  HIS  21           HD2      HIS  21  13.773   3.511   3.714
  184    HE1  HIS  21           HE1      HIS  21  17.203   1.165   2.856
  185    H    TYR  22           H        TYR  22  10.355   0.203   0.759
  186    HA   TYR  22           HA       TYR  22   8.408  -0.285   2.678
  187    HB2  TYR  22           2HB      TYR  22   8.272  -0.442  -0.335
  188    HB3  TYR  22           3HB      TYR  22   6.855  -0.567   0.702
  189    HD1  TYR  22           HD1      TYR  22   6.932   1.436   2.614
  190    HD2  TYR  22           HD2      TYR  22   8.508   1.614  -1.334
  191    HE1  TYR  22           HE1      TYR  22   6.740   3.888   2.654
  192    HE2  TYR  22           HE2      TYR  22   8.322   4.066  -1.305
  193    HH   TYR  22           HH       TYR  22   7.914   5.846   1.436
  194    H    ALA  23           H        ALA  23   9.847  -2.479   0.310
  195    HA   ALA  23           HA       ALA  23   8.158  -4.687   0.902
  196    HB1  ALA  23           1HB      ALA  23  10.447  -5.803  -0.108
  197    HB2  ALA  23           2HB      ALA  23   9.090  -5.203  -1.063
  198    HB3  ALA  23           3HB      ALA  23  10.489  -4.170  -0.773
  199    H    ALA  24           H        ALA  24  10.630  -3.228   2.647
  200    HA   ALA  24           HA       ALA  24  11.389  -5.692   4.037
  201    HB1  ALA  24           1HB      ALA  24  12.498  -2.906   4.358
  202    HB2  ALA  24           2HB      ALA  24  13.145  -4.384   5.070
  203    HB3  ALA  24           3HB      ALA  24  13.178  -4.160   3.321
  204    H    PHE  25           H        PHE  25   8.960  -3.540   4.233
  205    HA   PHE  25           HA       PHE  25   8.737  -3.870   7.148
  206    HB2  PHE  25           2HB      PHE  25   7.707  -1.445   5.682
  207    HB3  PHE  25           3HB      PHE  25   7.866  -1.674   7.420
  208    HD1  PHE  25           HD2      PHE  25  10.574  -2.685   7.705
  209    HD2  PHE  25           HD1      PHE  25   9.055   0.339   5.122
  210    HE1  PHE  25           HE2      PHE  25  12.795  -1.629   7.640
  211    HE2  PHE  25           HE1      PHE  25  11.274   1.399   5.052
  212    HZ   PHE  25           HZ       PHE  25  13.148   0.416   6.313
  213    H    GLU  26           H        GLU  26   6.936  -3.125   4.171
  214    HA   GLU  26           HA       GLU  26   4.366  -3.559   5.066
  215    HB2  GLU  26           2HB      GLU  26   5.728  -3.677   2.453
  216    HB3  GLU  26           3HB      GLU  26   4.221  -4.577   2.547
  217    HG2  GLU  26           2HG      GLU  26   4.251  -1.796   3.581
  218    HG3  GLU  26           3HG      GLU  26   4.292  -2.040   1.836
  219    H    ARG  27           H        ARG  27   6.791  -5.917   4.095
  220    HA   ARG  27           HA       ARG  27   5.233  -8.011   5.389
  221    HB2  ARG  27           2HB      ARG  27   5.874  -7.915   2.477
  222    HB3  ARG  27           3HB      ARG  27   5.943  -9.472   3.293
  223    HG2  ARG  27           2HG      ARG  27   3.532  -7.723   3.559
  224    HG3  ARG  27           3HG      ARG  27   3.754  -8.750   2.141
  225    HD2  ARG  27           2HD      ARG  27   4.070 -10.680   3.720
  226    HD3  ARG  27           3HD      ARG  27   3.575  -9.602   5.024
  227    HE   ARG  27           HE       ARG  27   1.585  -9.433   3.138
  228   HH11  ARG  27          1HH1      ARG  27   3.042 -11.962   5.035
  229   HH12  ARG  27          2HH1      ARG  27   1.601 -12.921   5.102
  230   HH21  ARG  27          1HH2      ARG  27  -0.319 -10.686   3.219
  231   HH22  ARG  27          2HH2      ARG  27  -0.310 -12.195   4.068
  232    H    ALA  28           H        ALA  28   8.210  -7.180   3.647
  233    HA   ALA  28           HA       ALA  28  10.395  -7.677   4.045
  234    HB1  ALA  28           1HB      ALA  28   9.211  -7.421   6.588
  235    HB2  ALA  28           2HB      ALA  28  10.281  -8.821   6.660
  236    HB3  ALA  28           3HB      ALA  28  10.913  -7.253   6.159
  237    H    THR  29           H        THR  29   8.247  -9.786   3.324
  238    HA   THR  29           HA       THR  29   9.356 -12.270   4.233
  239    HB   THR  29           HB       THR  29   6.940 -11.915   3.548
  240    HG1  THR  29           HG1      THR  29   7.415 -14.014   3.758
  241   HG21  THR  29          3HG2      THR  29   7.931 -12.373   0.749
  242   HG22  THR  29          1HG2      THR  29   7.656 -10.749   1.375
  243   HG23  THR  29          2HG2      THR  29   6.320 -11.897   1.285
  244    H    PHE  30           H        PHE  30   9.766 -10.198   1.452
  245    HA   PHE  30           HA       PHE  30  10.885 -11.905  -0.398
  246    HB2  PHE  30           2HB      PHE  30  11.876  -9.104   0.158
  247    HB3  PHE  30           3HB      PHE  30  11.962  -9.980  -1.367
  248    HD1  PHE  30           HD1      PHE  30   9.853 -10.474  -2.611
  249    HD2  PHE  30           HD2      PHE  30   9.964  -7.873   0.756
  250    HE1  PHE  30           HE1      PHE  30   7.689  -9.517  -3.283
  251    HE2  PHE  30           HE2      PHE  30   7.799  -6.912   0.090
  252    HZ   PHE  30           HZ       PHE  30   6.658  -7.734  -1.931
  Start of MODEL    9
    1    H1   TYR   1           H        TYR   1   1.863   1.971  -1.059
    2    HA   TYR   1           HA       TYR   1   3.091   1.029  -3.406
    3    HB2  TYR   1           2HB      TYR   1   3.800   0.448  -1.088
    4    HB3  TYR   1           3HB      TYR   1   2.374  -0.574  -0.943
    5    HD1  TYR   1           HD2      TYR   1   5.206  -0.081  -3.342
    6    HD2  TYR   1           HD1      TYR   1   2.706  -2.827  -1.265
    7    HE1  TYR   1           HE2      TYR   1   6.458  -1.956  -4.326
    8    HE2  TYR   1           HE1      TYR   1   3.951  -4.710  -2.243
    9    HH   TYR   1           HH       TYR   1   6.854  -4.538  -3.499
   10    H    ALA   2           H        ALA   2   2.623  -0.785  -4.706
   11    HA   ALA   2           HA       ALA   2   1.297  -2.119  -5.987
   12    HB1  ALA   2           1HB      ALA   2   0.921  -3.022  -3.543
   13    HB2  ALA   2           2HB      ALA   2  -0.710  -2.404  -3.809
   14    HB3  ALA   2           3HB      ALA   2  -0.039  -3.621  -4.896
   15    H    GLU   3           H        GLU   3   0.887   0.690  -6.132
   16    HA   GLU   3           HA       GLU   3  -2.003   0.830  -6.688
   17    HB2  GLU   3           2HB      GLU   3  -0.934   2.430  -4.970
   18    HB3  GLU   3           3HB      GLU   3  -0.217   3.228  -6.362
   19    HG2  GLU   3           2HG      GLU   3  -2.338   3.817  -7.232
   20    HG3  GLU   3           3HG      GLU   3  -3.172   2.771  -6.085
   21    H    LYS   4           H        LYS   4  -0.429  -0.410  -8.550
   22    HA   LYS   4           HA       LYS   4   0.202  -0.398 -10.739
   23    HB2  LYS   4           2HB      LYS   4  -1.914   1.747 -10.694
   24    HB3  LYS   4           3HB      LYS   4  -1.139   1.231 -12.187
   25    HG2  LYS   4           2HG      LYS   4  -1.911  -1.071 -11.756
   26    HG3  LYS   4           3HG      LYS   4  -2.754  -0.491 -10.318
   27    HD2  LYS   4           2HD      LYS   4  -4.340  -0.635 -12.108
   28    HD3  LYS   4           3HD      LYS   4  -4.031   1.073 -11.784
   29    HE2  LYS   4           2HE      LYS   4  -2.710   1.308 -13.712
   30    HE3  LYS   4           3HE      LYS   4  -2.531  -0.435 -13.904
   31    HZ1  LYS   4           3HZ      LYS   4  -5.215  -0.058 -14.025
   32    HZ2  LYS   4           1HZ      LYS   4  -4.190  -0.255 -15.357
   33    HZ3  LYS   4           2HZ      LYS   4  -4.616   1.298 -14.839
   34    H    VAL   5           H        VAL   5   1.955   0.988  -9.071
   35    HA   VAL   5           HA       VAL   5   2.800   3.254 -10.756
   36    HB   VAL   5           HB       VAL   5   2.305   3.825  -8.386
   37   HG11  VAL   5          1HG1      VAL   5   3.006   1.689  -7.393
   38   HG12  VAL   5          2HG1      VAL   5   4.685   2.076  -7.774
   39   HG13  VAL   5          3HG1      VAL   5   3.790   3.068  -6.622
   40   HG21  VAL   5          3HG2      VAL   5   5.241   4.110  -8.985
   41   HG22  VAL   5          1HG2      VAL   5   3.991   5.031  -9.822
   42   HG23  VAL   5          2HG2      VAL   5   4.204   5.213  -8.080
   43    H    ALA   6           H        ALA   6   3.757   0.234  -9.287
   44    HA   ALA   6           HA       ALA   6   6.531   0.475 -10.005
   45    HB1  ALA   6           1HB      ALA   6   5.679  -2.238  -9.518
   46    HB2  ALA   6           2HB      ALA   6   6.794  -1.226  -8.599
   47    HB3  ALA   6           3HB      ALA   6   5.061  -1.144  -8.280
   48    H    GLN   7           H        GLN   7   3.660  -1.033 -11.364
   49    HA   GLN   7           HA       GLN   7   4.918  -2.606 -13.322
   50    HB2  GLN   7           2HB      GLN   7   2.554  -2.861 -12.677
   51    HB3  GLN   7           3HB      GLN   7   2.189  -1.308 -13.416
   52    HG2  GLN   7           2HG      GLN   7   1.574  -3.251 -14.814
   53    HG3  GLN   7           3HG      GLN   7   2.703  -2.144 -15.593
   54   HE21  GLN   7          1HE2      GLN   7   4.098  -3.218 -16.778
   55   HE22  GLN   7          2HE2      GLN   7   4.864  -4.708 -16.358
   56    H    GLU   8           H        GLU   8   4.266   0.792 -13.149
   57    HA   GLU   8           HA       GLU   8   4.766   1.196 -15.987
   58    HB2  GLU   8           2HB      GLU   8   4.157   3.135 -13.751
   59    HB3  GLU   8           3HB      GLU   8   4.419   3.610 -15.423
   60    HG2  GLU   8           2HG      GLU   8   2.470   2.472 -16.144
   61    HG3  GLU   8           3HG      GLU   8   2.281   1.675 -14.584
   62    H    LYS   9           H        LYS   9   6.198   3.386 -16.246
   63    HA   LYS   9           HA       LYS   9   8.337   4.151 -16.389
   64    HB2  LYS   9           2HB      LYS   9   8.255   3.360 -13.476
   65    HB3  LYS   9           3HB      LYS   9   9.605   4.221 -14.203
   66    HG2  LYS   9           2HG      LYS   9   6.807   5.279 -14.367
   67    HG3  LYS   9           3HG      LYS   9   7.835   5.584 -12.965
   68    HD2  LYS   9           2HD      LYS   9   8.790   6.162 -15.751
   69    HD3  LYS   9           3HD      LYS   9   7.803   7.325 -14.863
   70    HE2  LYS   9           2HE      LYS   9  10.218   6.150 -13.561
   71    HE3  LYS   9           3HE      LYS   9  10.418   7.433 -14.753
   72    HZ1  LYS   9           3HZ      LYS   9   9.706   8.954 -13.314
   73    HZ2  LYS   9           1HZ      LYS   9   9.896   7.783 -12.108
   74    HZ3  LYS   9           2HZ      LYS   9   8.383   8.020 -12.825
   75    H    GLY  10           H        GLY  10   7.800   1.325 -17.001
   76    HA2  GLY  10           2HA      GLY  10   9.107  -0.398 -17.810
   77    HA3  GLY  10           3HA      GLY  10  10.527   0.479 -17.259
   78    H    PHE  11           H        PHE  11  11.279  -1.690 -16.666
   79    HA   PHE  11           HA       PHE  11  10.013  -2.801 -14.273
   80    HB2  PHE  11           2HB      PHE  11  10.494  -4.424 -15.992
   81    HB3  PHE  11           3HB      PHE  11  12.166  -3.883 -16.098
   82    HD1  PHE  11           HD1      PHE  11   9.713  -5.582 -13.920
   83    HD2  PHE  11           HD2      PHE  11  13.819  -4.750 -14.667
   84    HE1  PHE  11           HE1      PHE  11  10.355  -7.260 -12.239
   85    HE2  PHE  11           HE2      PHE  11  14.468  -6.427 -12.988
   86    HZ   PHE  11           HZ       PHE  11  12.735  -7.685 -11.772
   87    H    LEU  12           H        LEU  12  13.052  -1.424 -15.405
   88    HA   LEU  12           HA       LEU  12  14.653  -1.883 -13.187
   89    HB2  LEU  12           2HB      LEU  12  14.571   0.364 -15.175
   90    HB3  LEU  12           3HB      LEU  12  15.772   0.309 -13.887
   91    HG   LEU  12           HG       LEU  12  16.311  -2.047 -14.867
   92   HD11  LEU  12          1HD1      LEU  12  14.793  -2.501 -16.500
   93   HD12  LEU  12          2HD1      LEU  12  16.022  -1.698 -17.476
   94   HD13  LEU  12          3HD1      LEU  12  14.596  -0.806 -16.947
   95   HD21  LEU  12          3HD2      LEU  12  18.168  -1.064 -15.628
   96   HD22  LEU  12          1HD2      LEU  12  17.429   0.447 -15.098
   97   HD23  LEU  12          2HD2      LEU  12  17.277  -0.066 -16.778
   98    H    TYR  13           H        TYR  13  12.031   0.347 -13.614
   99    HA   TYR  13           HA       TYR  13  12.560   2.253 -11.677
  100    HB2  TYR  13           2HB      TYR  13  10.680   2.535 -13.134
  101    HB3  TYR  13           3HB      TYR  13   9.937   1.046 -12.561
  102    HD1  TYR  13           HD2      TYR  13   8.860   0.962 -10.357
  103    HD2  TYR  13           HD1      TYR  13  10.501   4.582 -11.877
  104    HE1  TYR  13           HE2      TYR  13   7.606   2.233  -8.666
  105    HE2  TYR  13           HE1      TYR  13   9.251   5.863 -10.189
  106    HH   TYR  13           HH       TYR  13   7.673   5.772  -8.605
  107    H    ARG  14           H        ARG  14  11.070  -0.940 -11.314
  108    HA   ARG  14           HA       ARG  14  10.371  -0.772  -8.620
  109    HB2  ARG  14           2HB      ARG  14  11.344  -3.252 -10.045
  110    HB3  ARG  14           3HB      ARG  14  10.305  -3.185  -8.628
  111    HG2  ARG  14           2HG      ARG  14   8.697  -1.864 -10.159
  112    HG3  ARG  14           3HG      ARG  14   9.657  -2.547 -11.473
  113    HD2  ARG  14           2HD      ARG  14   7.965  -4.106 -11.231
  114    HD3  ARG  14           3HD      ARG  14   9.261  -4.800 -10.258
  115    HE   ARG  14           HE       ARG  14   7.544  -3.150  -8.698
  116   HH11  ARG  14          1HH1      ARG  14   7.812  -6.296 -10.164
  117   HH12  ARG  14          2HH1      ARG  14   6.751  -7.060  -9.028
  118   HH21  ARG  14          1HH2      ARG  14   6.145  -4.144  -7.196
  119   HH22  ARG  14          2HH2      ARG  14   5.803  -5.835  -7.340
  120    H    LEU  15           H        LEU  15  13.454  -1.425 -10.145
  121    HA   LEU  15           HA       LEU  15  14.771  -2.319  -7.774
  122    HB2  LEU  15           2HB      LEU  15  16.100  -1.121 -10.187
  123    HB3  LEU  15           3HB      LEU  15  16.766  -2.282  -9.041
  124    HG   LEU  15           HG       LEU  15  14.550  -2.875 -11.002
  125   HD11  LEU  15          1HD1      LEU  15  17.463  -3.641 -11.115
  126   HD12  LEU  15          2HD1      LEU  15  16.691  -2.413 -12.118
  127   HD13  LEU  15          3HD1      LEU  15  16.208  -4.103 -12.265
  128   HD21  LEU  15          3HD2      LEU  15  14.365  -4.311  -9.116
  129   HD22  LEU  15          1HD2      LEU  15  16.107  -4.581  -9.070
  130   HD23  LEU  15          2HD2      LEU  15  15.148  -5.238 -10.397
  131    H    THR  16           H        THR  16  14.044  -0.601  -6.335
  132    HA   THR  16           HA       THR  16  15.930   1.638  -6.363
  133    HB   THR  16           HB       THR  16  14.035   3.137  -5.536
  134    HG1  THR  16           HG1      THR  16  12.352   1.353  -6.947
  135   HG21  THR  16          3HG2      THR  16  14.310   2.158  -8.357
  136   HG22  THR  16          1HG2      THR  16  14.867   3.673  -7.647
  137   HG23  THR  16          2HG2      THR  16  13.148   3.420  -7.951
  138    H    SER  17           H        SER  17  15.975   2.786  -4.239
  139    HA   SER  17           HA       SER  17  16.378   0.965  -2.143
  140    HB2  SER  17           2HB      SER  17  17.367   3.329  -2.471
  141    HB3  SER  17           3HB      SER  17  15.893   3.903  -1.692
  142    HG   SER  17           HG       SER  17  17.776   3.456  -0.296
  143    H    ARG  18           H        ARG  18  13.780   3.345  -2.646
  144    HA   ARG  18           HA       ARG  18  12.309   2.893  -0.355
  145    HB2  ARG  18           2HB      ARG  18  11.619   3.800  -3.113
  146    HB3  ARG  18           3HB      ARG  18  10.305   3.415  -2.010
  147    HG2  ARG  18           2HG      ARG  18  10.607   5.692  -1.719
  148    HG3  ARG  18           3HG      ARG  18  11.499   4.990  -0.368
  149    HD2  ARG  18           2HD      ARG  18  13.571   5.410  -1.367
  150    HD3  ARG  18           3HD      ARG  18  12.856   5.629  -2.964
  151    HE   ARG  18           HE       ARG  18  11.949   7.584  -1.089
  152   HH11  ARG  18          1HH1      ARG  18  14.565   6.727  -3.220
  153   HH12  ARG  18          2HH1      ARG  18  15.099   8.361  -3.434
  154   HH21  ARG  18          1HH2      ARG  18  12.643   9.739  -1.362
  155   HH22  ARG  18          2HH2      ARG  18  14.006  10.074  -2.376
  156    H    TYR  19           H        TYR  19  11.937   1.268  -3.504
  157    HA   TYR  19           HA       TYR  19   9.892  -0.480  -2.772
  158    HB2  TYR  19           2HB      TYR  19  10.440  -0.218  -5.088
  159    HB3  TYR  19           3HB      TYR  19  12.093  -0.760  -4.821
  160    HD1  TYR  19           HD1      TYR  19   8.559  -1.921  -4.656
  161    HD2  TYR  19           HD2      TYR  19  12.648  -3.010  -5.100
  162    HE1  TYR  19           HE1      TYR  19   7.882  -4.225  -5.187
  163    HE2  TYR  19           HE2      TYR  19  11.982  -5.317  -5.633
  164    HH   TYR  19           HH       TYR  19  10.292  -6.712  -5.978
  165    H    ARG  20           H        ARG  20  13.402  -0.835  -2.527
  166    HA   ARG  20           HA       ARG  20  13.380  -3.519  -1.628
  167    HB2  ARG  20           2HB      ARG  20  15.410  -1.303  -1.468
  168    HB3  ARG  20           3HB      ARG  20  15.707  -2.877  -0.744
  169    HG2  ARG  20           2HG      ARG  20  15.887  -3.932  -2.767
  170    HG3  ARG  20           3HG      ARG  20  14.864  -2.754  -3.593
  171    HD2  ARG  20           2HD      ARG  20  16.949  -2.221  -4.418
  172    HD3  ARG  20           3HD      ARG  20  16.807  -1.105  -3.061
  173    HE   ARG  20           HE       ARG  20  18.020  -3.313  -2.009
  174   HH11  ARG  20          1HH1      ARG  20  18.692  -1.158  -4.660
  175   HH12  ARG  20          2HH1      ARG  20  20.410  -1.349  -4.551
  176   HH21  ARG  20          1HH2      ARG  20  20.281  -3.573  -1.855
  177   HH22  ARG  20          2HH2      ARG  20  21.313  -2.724  -2.956
  178    H    HIS  21           H        HIS  21  12.881  -0.476  -0.046
  179    HA   HIS  21           HA       HIS  21  13.308  -1.507   2.615
  180    HB2  HIS  21           2HB      HIS  21  12.445   1.115   1.459
  181    HB3  HIS  21           3HB      HIS  21  12.130   0.784   3.160
  182    HD1  HIS  21           HD1      HIS  21  14.619  -0.423   4.186
  183    HD2  HIS  21           HD2      HIS  21  14.682   2.612   1.350
  184    HE1  HIS  21           HE1      HIS  21  16.898   0.624   4.373
  185    H    TYR  22           H        TYR  22  10.483  -0.368   0.767
  186    HA   TYR  22           HA       TYR  22   8.539  -0.972   2.672
  187    HB2  TYR  22           2HB      TYR  22   8.320  -0.968  -0.345
  188    HB3  TYR  22           3HB      TYR  22   6.950  -0.996   0.759
  189    HD1  TYR  22           HD2      TYR  22   7.647   0.943   2.791
  190    HD2  TYR  22           HD1      TYR  22   8.330   1.089  -1.406
  191    HE1  TYR  22           HE2      TYR  22   7.669   3.401   2.886
  192    HE2  TYR  22           HE1      TYR  22   8.355   3.547  -1.322
  193    HH   TYR  22           HH       TYR  22   7.707   5.351   0.005
  194    H    ALA  23           H        ALA  23  10.264  -3.022   0.463
  195    HA   ALA  23           HA       ALA  23   8.463  -5.251   0.683
  196    HB1  ALA  23           1HB      ALA  23   9.642  -5.259  -1.314
  197    HB2  ALA  23           2HB      ALA  23  11.169  -4.848  -0.531
  198    HB3  ALA  23           3HB      ALA  23  10.494  -6.468  -0.352
  199    H    ALA  24           H        ALA  24  10.912  -3.936   2.632
  200    HA   ALA  24           HA       ALA  24  11.612  -6.448   3.912
  201    HB1  ALA  24           1HB      ALA  24  13.230  -4.527   3.500
  202    HB2  ALA  24           2HB      ALA  24  12.424  -3.709   4.839
  203    HB3  ALA  24           3HB      ALA  24  13.239  -5.250   5.109
  204    H    PHE  25           H        PHE  25   9.501  -3.731   4.412
  205    HA   PHE  25           HA       PHE  25   8.836  -4.683   7.108
  206    HB2  PHE  25           2HB      PHE  25   7.888  -2.128   5.811
  207    HB3  PHE  25           3HB      PHE  25   7.860  -2.545   7.522
  208    HD1  PHE  25           HD1      PHE  25  10.179  -2.982   8.618
  209    HD2  PHE  25           HD2      PHE  25   9.610  -0.842   4.983
  210    HE1  PHE  25           HE1      PHE  25  12.367  -1.898   8.918
  211    HE2  PHE  25           HE2      PHE  25  11.798   0.244   5.277
  212    HZ   PHE  25           HZ       PHE  25  13.180  -0.284   7.246
  213    H    GLU  26           H        GLU  26   7.197  -3.526   4.160
  214    HA   GLU  26           HA       GLU  26   4.657  -4.551   4.954
  215    HB2  GLU  26           2HB      GLU  26   5.443  -3.894   2.124
  216    HB3  GLU  26           3HB      GLU  26   3.854  -3.786   2.869
  217    HG2  GLU  26           2HG      GLU  26   6.201  -1.958   3.178
  218    HG3  GLU  26           3HG      GLU  26   4.553  -1.578   2.679
  219    H    ARG  27           H        ARG  27   7.204  -5.665   2.766
  220    HA   ARG  27           HA       ARG  27   5.748  -8.196   2.422
  221    HB2  ARG  27           2HB      ARG  27   8.109  -7.214   0.817
  222    HB3  ARG  27           3HB      ARG  27   7.052  -8.568   0.441
  223    HG2  ARG  27           2HG      ARG  27   5.200  -6.706   0.449
  224    HG3  ARG  27           3HG      ARG  27   6.579  -5.649   0.141
  225    HD2  ARG  27           2HD      ARG  27   5.631  -7.984  -1.505
  226    HD3  ARG  27           3HD      ARG  27   5.693  -6.285  -1.973
  227    HE   ARG  27           HE       ARG  27   8.283  -6.937  -1.402
  228   HH11  ARG  27          1HH1      ARG  27   5.837  -8.185  -3.543
  229   HH12  ARG  27          2HH1      ARG  27   6.972  -8.732  -4.732
  230   HH21  ARG  27          1HH2      ARG  27   9.787  -7.654  -2.960
  231   HH22  ARG  27          2HH2      ARG  27   9.219  -8.431  -4.399
  232    H    ALA  28           H        ALA  28   7.174  -7.583   4.835
  233    HA   ALA  28           HA       ALA  28   9.747  -8.557   5.034
  234    HB1  ALA  28           1HB      ALA  28   9.104  -9.200   7.385
  235    HB2  ALA  28           2HB      ALA  28   8.766  -7.530   6.930
  236    HB3  ALA  28           3HB      ALA  28   7.458  -8.711   6.981
  237    H    THR  29           H        THR  29   6.818 -10.468   5.758
  238    HA   THR  29           HA       THR  29   8.240 -12.942   5.684
  239    HB   THR  29           HB       THR  29   6.149 -12.525   7.026
  240    HG1  THR  29           HG1      THR  29   6.944 -14.659   6.542
  241   HG21  THR  29          3HG2      THR  29   4.983 -11.461   4.988
  242   HG22  THR  29          1HG2      THR  29   4.031 -12.512   6.035
  243   HG23  THR  29          2HG2      THR  29   4.644 -13.120   4.497
  244    H    PHE  30           H        PHE  30   6.331 -11.110   3.386
  245    HA   PHE  30           HA       PHE  30   7.020 -13.098   1.327
  246    HB2  PHE  30           2HB      PHE  30   4.900 -13.049   0.385
  247    HB3  PHE  30           3HB      PHE  30   4.527 -12.956   2.103
  248    HD1  PHE  30           HD2      PHE  30   4.571 -10.394   2.991
  249    HD2  PHE  30           HD1      PHE  30   3.691 -11.668  -0.974
  250    HE1  PHE  30           HE2      PHE  30   3.312  -8.315   2.605
  251    HE2  PHE  30           HE1      PHE  30   2.431  -9.591  -1.366
  252    HZ   PHE  30           HZ       PHE  30   2.240  -7.912   0.425
  Start of MODEL   10
    1    H1   TYR   1           H        TYR   1   1.359  -2.973  -1.387
    2    HA   TYR   1           HA       TYR   1   0.417  -0.605  -2.234
    3    HB2  TYR   1           2HB      TYR   1   2.419   0.439  -1.462
    4    HB3  TYR   1           3HB      TYR   1   2.180  -0.994  -0.469
    5    HD1  TYR   1           HD1      TYR   1   4.220   0.520  -3.122
    6    HD2  TYR   1           HD2      TYR   1   3.711  -2.854  -0.581
    7    HE1  TYR   1           HE1      TYR   1   6.487  -0.244  -3.693
    8    HE2  TYR   1           HE2      TYR   1   5.977  -3.627  -1.143
    9    HH   TYR   1           HH       TYR   1   7.713  -3.351  -2.578
   10    H    ALA   2           H        ALA   2   2.491  -2.708  -4.045
   11    HA   ALA   2           HA       ALA   2   2.794  -0.670  -6.144
   12    HB1  ALA   2           1HB      ALA   2   4.531  -2.737  -5.121
   13    HB2  ALA   2           2HB      ALA   2   4.322  -2.878  -6.867
   14    HB3  ALA   2           3HB      ALA   2   4.905  -1.368  -6.168
   15    H    GLU   3           H        GLU   3   0.737  -0.867  -7.064
   16    HA   GLU   3           HA       GLU   3   0.037  -3.484  -8.191
   17    HB2  GLU   3           2HB      GLU   3  -1.606  -2.089  -6.792
   18    HB3  GLU   3           3HB      GLU   3  -1.719  -1.039  -8.197
   19    HG2  GLU   3           2HG      GLU   3  -3.523  -2.474  -8.430
   20    HG3  GLU   3           3HG      GLU   3  -2.303  -3.160  -9.501
   21    H    LYS   4           H        LYS   4  -0.226  -0.077  -9.221
   22    HA   LYS   4           HA       LYS   4   0.339  -0.952 -11.970
   23    HB2  LYS   4           2HB      LYS   4  -1.251   1.287 -10.802
   24    HB3  LYS   4           3HB      LYS   4  -0.505   1.529 -12.376
   25    HG2  LYS   4           2HG      LYS   4  -2.519   0.718 -13.037
   26    HG3  LYS   4           3HG      LYS   4  -1.641  -0.804 -12.875
   27    HD2  LYS   4           2HD      LYS   4  -3.513  -1.328 -11.680
   28    HD3  LYS   4           3HD      LYS   4  -2.537  -0.628 -10.386
   29    HE2  LYS   4           2HE      LYS   4  -4.290   1.167 -11.990
   30    HE3  LYS   4           3HE      LYS   4  -5.034   0.119 -10.783
   31    HZ1  LYS   4           3HZ      LYS   4  -4.571   1.859  -9.452
   32    HZ2  LYS   4           1HZ      LYS   4  -3.308   2.431 -10.423
   33    HZ3  LYS   4           2HZ      LYS   4  -3.042   1.139  -9.364
   34    H    VAL   5           H        VAL   5   1.398   1.154  -9.397
   35    HA   VAL   5           HA       VAL   5   3.148   2.813 -10.814
   36    HB   VAL   5           HB       VAL   5   2.529   3.234  -8.480
   37   HG11  VAL   5          1HG1      VAL   5   3.202   0.568  -8.095
   38   HG12  VAL   5          2HG1      VAL   5   4.456   1.468  -7.239
   39   HG13  VAL   5          3HG1      VAL   5   2.756   1.734  -6.850
   40   HG21  VAL   5          3HG2      VAL   5   4.916   3.758  -9.656
   41   HG22  VAL   5          1HG2      VAL   5   4.423   4.378  -8.080
   42   HG23  VAL   5          2HG2      VAL   5   5.438   2.939  -8.183
   43    H    ALA   6           H        ALA   6   3.439  -0.501  -9.828
   44    HA   ALA   6           HA       ALA   6   6.218  -0.811  -9.865
   45    HB1  ALA   6           1HB      ALA   6   5.558  -3.227 -10.600
   46    HB2  ALA   6           2HB      ALA   6   5.118  -2.637  -8.997
   47    HB3  ALA   6           3HB      ALA   6   3.916  -2.663 -10.287
   48    H    GLN   7           H        GLN   7   4.010  -1.869 -12.461
   49    HA   GLN   7           HA       GLN   7   6.021  -2.137 -14.397
   50    HB2  GLN   7           2HB      GLN   7   4.214  -2.302 -16.018
   51    HB3  GLN   7           3HB      GLN   7   3.813  -3.212 -14.567
   52    HG2  GLN   7           2HG      GLN   7   1.834  -2.149 -14.993
   53    HG3  GLN   7           3HG      GLN   7   2.591  -1.024 -13.867
   54   HE21  GLN   7          1HE2      GLN   7   0.851   0.288 -15.026
   55   HE22  GLN   7          2HE2      GLN   7   1.374   1.179 -16.411
   56    H    GLU   8           H        GLU   8   4.171   0.614 -13.342
   57    HA   GLU   8           HA       GLU   8   4.451   2.313 -15.529
   58    HB2  GLU   8           2HB      GLU   8   4.128   2.738 -12.589
   59    HB3  GLU   8           3HB      GLU   8   4.507   4.120 -13.607
   60    HG2  GLU   8           2HG      GLU   8   2.206   2.284 -14.181
   61    HG3  GLU   8           3HG      GLU   8   2.063   3.687 -13.124
   62    H    LYS   9           H        LYS   9   5.923   4.035 -15.944
   63    HA   LYS   9           HA       LYS   9   8.013   4.854 -16.323
   64    HB2  LYS   9           2HB      LYS   9   7.557   5.330 -13.793
   65    HB3  LYS   9           3HB      LYS   9   8.779   4.093 -13.526
   66    HG2  LYS   9           2HG      LYS   9  10.062   5.983 -13.498
   67    HG3  LYS   9           3HG      LYS   9  10.176   5.536 -15.202
   68    HD2  LYS   9           2HD      LYS   9   9.715   7.825 -15.252
   69    HD3  LYS   9           3HD      LYS   9   8.143   7.073 -15.531
   70    HE2  LYS   9           2HE      LYS   9   7.996   7.234 -12.899
   71    HE3  LYS   9           3HE      LYS   9   9.165   8.530 -13.145
   72    HZ1  LYS   9           3HZ      LYS   9   7.309   9.091 -15.002
   73    HZ2  LYS   9           1HZ      LYS   9   7.351   9.776 -13.456
   74    HZ3  LYS   9           2HZ      LYS   9   6.348   8.451 -13.766
   75    H    GLY  10           H        GLY  10   7.537   2.020 -16.834
   76    HA2  GLY  10           2HA      GLY  10   8.853   0.342 -17.735
   77    HA3  GLY  10           3HA      GLY  10  10.277   1.241 -17.232
   78    H    PHE  11           H        PHE  11  10.648  -1.279 -16.908
   79    HA   PHE  11           HA       PHE  11   9.641  -2.278 -14.394
   80    HB2  PHE  11           2HB      PHE  11  10.008  -3.869 -16.176
   81    HB3  PHE  11           3HB      PHE  11  11.690  -3.372 -16.329
   82    HD1  PHE  11           HD1      PHE  11  13.347  -4.068 -14.704
   83    HD2  PHE  11           HD2      PHE  11   9.287  -5.303 -14.380
   84    HE1  PHE  11           HE1      PHE  11  14.007  -5.802 -13.087
   85    HE2  PHE  11           HE2      PHE  11   9.940  -7.038 -12.762
   86    HZ   PHE  11           HZ       PHE  11  12.302  -7.289 -12.113
   87    H    LEU  12           H        LEU  12  12.592  -0.831 -15.619
   88    HA   LEU  12           HA       LEU  12  14.346  -1.407 -13.547
   89    HB2  LEU  12           2HB      LEU  12  14.188   1.181 -15.081
   90    HB3  LEU  12           3HB      LEU  12  15.596   0.544 -14.235
   91    HG   LEU  12           HG       LEU  12  14.346  -0.913 -16.546
   92   HD11  LEU  12          1HD1      LEU  12  15.851   0.164 -18.049
   93   HD12  LEU  12          2HD1      LEU  12  16.613   1.060 -16.735
   94   HD13  LEU  12          3HD1      LEU  12  14.950   1.420 -17.200
   95   HD21  LEU  12          3HD2      LEU  12  16.852  -1.093 -14.953
   96   HD22  LEU  12          1HD2      LEU  12  16.907  -1.531 -16.661
   97   HD23  LEU  12          2HD2      LEU  12  15.808  -2.374 -15.569
   98    H    TYR  13           H        TYR  13  11.669   0.796 -13.650
   99    HA   TYR  13           HA       TYR  13  12.282   2.598 -11.652
  100    HB2  TYR  13           2HB      TYR  13  10.272   2.878 -12.924
  101    HB3  TYR  13           3HB      TYR  13   9.639   1.329 -12.379
  102    HD1  TYR  13           HD1      TYR  13  10.328   4.808 -11.392
  103    HD2  TYR  13           HD2      TYR  13   8.555   1.113 -10.249
  104    HE1  TYR  13           HE1      TYR  13   9.182   5.940  -9.533
  105    HE2  TYR  13           HE2      TYR  13   7.403   2.235  -8.388
  106    HH   TYR  13           HH       TYR  13   8.121   4.728  -7.016
  107    H    ARG  14           H        ARG  14  10.891  -0.650 -11.329
  108    HA   ARG  14           HA       ARG  14  10.506  -0.613  -8.554
  109    HB2  ARG  14           2HB      ARG  14  11.038  -2.892 -10.460
  110    HB3  ARG  14           3HB      ARG  14  10.649  -3.131  -8.762
  111    HG2  ARG  14           2HG      ARG  14   8.497  -2.078  -9.067
  112    HG3  ARG  14           3HG      ARG  14   8.889  -1.710 -10.748
  113    HD2  ARG  14           2HD      ARG  14   7.517  -3.640 -10.783
  114    HD3  ARG  14           3HD      ARG  14   9.161  -4.187 -11.108
  115    HE   ARG  14           HE       ARG  14   8.470  -4.320  -8.332
  116   HH11  ARG  14          1HH1      ARG  14   8.245  -5.965 -11.392
  117   HH12  ARG  14          2HH1      ARG  14   8.082  -7.538 -10.683
  118   HH21  ARG  14          1HH2      ARG  14   8.256  -6.385  -7.386
  119   HH22  ARG  14          2HH2      ARG  14   8.087  -7.775  -8.404
  120    H    LEU  15           H        LEU  15  13.357  -1.165 -10.489
  121    HA   LEU  15           HA       LEU  15  14.932  -2.250  -8.352
  122    HB2  LEU  15           2HB      LEU  15  15.905  -1.003 -10.914
  123    HB3  LEU  15           3HB      LEU  15  16.778  -2.124  -9.871
  124    HG   LEU  15           HG       LEU  15  14.377  -2.761 -11.583
  125   HD11  LEU  15          1HD1      LEU  15  15.911  -4.133 -12.848
  126   HD12  LEU  15          2HD1      LEU  15  17.238  -3.691 -11.774
  127   HD13  LEU  15          3HD1      LEU  15  16.495  -2.469 -12.805
  128   HD21  LEU  15          3HD2      LEU  15  14.311  -4.025  -9.505
  129   HD22  LEU  15          1HD2      LEU  15  15.983  -4.533  -9.744
  130   HD23  LEU  15          2HD2      LEU  15  14.729  -5.076 -10.859
  131    H    THR  16           H        THR  16  14.170  -0.383  -6.923
  132    HA   THR  16           HA       THR  16  16.182   1.763  -7.068
  133    HB   THR  16           HB       THR  16  14.463   3.243  -5.933
  134    HG1  THR  16           HG1      THR  16  12.523   2.461  -5.608
  135   HG21  THR  16          3HG2      THR  16  13.097   3.377  -8.221
  136   HG22  THR  16          1HG2      THR  16  14.421   2.346  -8.761
  137   HG23  THR  16          2HG2      THR  16  14.763   3.938  -8.083
  138    H    SER  17           H        SER  17  16.012   2.995  -4.774
  139    HA   SER  17           HA       SER  17  16.807   0.985  -2.850
  140    HB2  SER  17           2HB      SER  17  17.891   3.340  -3.345
  141    HB3  SER  17           3HB      SER  17  16.690   3.899  -2.181
  142    HG   SER  17           HG       SER  17  17.954   3.173  -0.685
  143    H    ARG  18           H        ARG  18  14.111   3.095  -3.436
  144    HA   ARG  18           HA       ARG  18  12.997   2.890  -0.802
  145    HB2  ARG  18           2HB      ARG  18  11.505   3.640  -3.312
  146    HB3  ARG  18           3HB      ARG  18  11.143   4.107  -1.656
  147    HG2  ARG  18           2HG      ARG  18  13.488   5.020  -3.308
  148    HG3  ARG  18           3HG      ARG  18  12.077   5.976  -2.849
  149    HD2  ARG  18           2HD      ARG  18  12.704   5.675  -0.472
  150    HD3  ARG  18           3HD      ARG  18  14.159   4.828  -0.994
  151    HE   ARG  18           HE       ARG  18  14.070   7.332  -2.252
  152   HH11  ARG  18          1HH1      ARG  18  14.502   5.944   0.911
  153   HH12  ARG  18          2HH1      ARG  18  15.490   7.244   1.490
  154   HH21  ARG  18          1HH2      ARG  18  15.370   9.050  -1.502
  155   HH22  ARG  18          2HH2      ARG  18  15.983   9.011   0.116
  156    H    TYR  19           H        TYR  19  12.488   1.273  -3.899
  157    HA   TYR  19           HA       TYR  19  10.197  -0.167  -3.359
  158    HB2  TYR  19           2HB      TYR  19  11.135  -0.216  -5.562
  159    HB3  TYR  19           3HB      TYR  19  12.633  -0.930  -4.974
  160    HD1  TYR  19           HD2      TYR  19   8.971  -1.703  -4.853
  161    HD2  TYR  19           HD1      TYR  19  12.925  -3.163  -5.440
  162    HE1  TYR  19           HE2      TYR  19   8.070  -3.947  -5.301
  163    HE2  TYR  19           HE1      TYR  19  12.034  -5.411  -5.891
  164    HH   TYR  19           HH       TYR  19   9.731  -6.660  -5.153
  165    H    ARG  20           H        ARG  20  13.546  -0.957  -2.522
  166    HA   ARG  20           HA       ARG  20  12.971  -3.494  -1.394
  167    HB2  ARG  20           2HB      ARG  20  15.301  -1.724  -0.662
  168    HB3  ARG  20           3HB      ARG  20  15.216  -3.479  -0.590
  169    HG2  ARG  20           2HG      ARG  20  14.914  -3.405  -3.117
  170    HG3  ARG  20           3HG      ARG  20  15.424  -1.719  -3.008
  171    HD2  ARG  20           2HD      ARG  20  16.977  -4.180  -2.240
  172    HD3  ARG  20           3HD      ARG  20  17.360  -3.007  -3.499
  173    HE   ARG  20           HE       ARG  20  17.307  -1.582  -1.147
  174   HH11  ARG  20          1HH1      ARG  20  19.081  -4.296  -2.414
  175   HH12  ARG  20          2HH1      ARG  20  20.510  -3.959  -1.493
  176   HH21  ARG  20          1HH2      ARG  20  19.181  -1.128   0.071
  177   HH22  ARG  20          2HH2      ARG  20  20.565  -2.157  -0.079
  178    H    HIS  21           H        HIS  21  13.097  -0.230  -0.096
  179    HA   HIS  21           HA       HIS  21  12.957  -0.952   2.642
  180    HB2  HIS  21           2HB      HIS  21  13.490   1.353   1.407
  181    HB3  HIS  21           3HB      HIS  21  11.780   1.626   1.727
  182    HD1  HIS  21           HD1      HIS  21  11.135   1.183   4.393
  183    HD2  HIS  21           HD2      HIS  21  15.079   2.095   3.461
  184    HE1  HIS  21           HE1      HIS  21  12.169   1.971   6.546
  185    H    TYR  22           H        TYR  22  10.586  -0.616   0.127
  186    HA   TYR  22           HA       TYR  22   8.342  -0.547   1.947
  187    HB2  TYR  22           2HB      TYR  22   8.432  -0.895  -1.057
  188    HB3  TYR  22           3HB      TYR  22   6.972  -0.648  -0.104
  189    HD1  TYR  22           HD1      TYR  22   7.694   1.473   1.733
  190    HD2  TYR  22           HD2      TYR  22   8.739   0.991  -2.364
  191    HE1  TYR  22           HE1      TYR  22   7.966   3.909   1.522
  192    HE2  TYR  22           HE2      TYR  22   9.014   3.425  -2.586
  193    HH   TYR  22           HH       TYR  22   8.419   5.446  -1.556
  194    H    ALA  23           H        ALA  23   9.965  -2.900  -0.110
  195    HA   ALA  23           HA       ALA  23   8.044  -4.980   0.410
  196    HB1  ALA  23           1HB      ALA  23  10.741  -4.992  -0.927
  197    HB2  ALA  23           2HB      ALA  23   9.731  -6.427  -0.752
  198    HB3  ALA  23           3HB      ALA  23   9.153  -5.052  -1.693
  199    H    ALA  24           H        ALA  24  10.953  -3.816   1.875
  200    HA   ALA  24           HA       ALA  24  11.514  -6.223   3.350
  201    HB1  ALA  24           1HB      ALA  24  13.273  -4.983   4.395
  202    HB2  ALA  24           2HB      ALA  24  13.262  -4.579   2.678
  203    HB3  ALA  24           3HB      ALA  24  12.584  -3.452   3.853
  204    H    PHE  25           H        PHE  25   9.517  -3.446   3.767
  205    HA   PHE  25           HA       PHE  25   9.128  -4.070   6.611
  206    HB2  PHE  25           2HB      PHE  25   8.566  -1.608   4.970
  207    HB3  PHE  25           3HB      PHE  25   7.849  -1.840   6.561
  208    HD1  PHE  25           HD2      PHE  25  11.218  -2.152   4.979
  209    HD2  PHE  25           HD1      PHE  25   8.917  -0.805   8.296
  210    HE1  PHE  25           HE2      PHE  25  13.256  -1.251   6.022
  211    HE2  PHE  25           HE1      PHE  25  10.951   0.099   9.345
  212    HZ   PHE  25           HZ       PHE  25  13.124  -0.125   8.209
  213    H    GLU  26           H        GLU  26   7.236  -3.219   3.713
  214    HA   GLU  26           HA       GLU  26   4.762  -4.063   4.857
  215    HB2  GLU  26           2HB      GLU  26   5.370  -3.701   1.923
  216    HB3  GLU  26           3HB      GLU  26   3.799  -3.616   2.708
  217    HG2  GLU  26           2HG      GLU  26   6.071  -1.682   3.099
  218    HG3  GLU  26           3HG      GLU  26   4.629  -1.406   2.124
  219    H    ARG  27           H        ARG  27   7.083  -5.513   2.619
  220    HA   ARG  27           HA       ARG  27   5.539  -8.014   2.688
  221    HB2  ARG  27           2HB      ARG  27   7.520  -6.874   0.743
  222    HB3  ARG  27           3HB      ARG  27   7.229  -8.608   0.796
  223    HG2  ARG  27           2HG      ARG  27   5.142  -8.428  -0.080
  224    HG3  ARG  27           3HG      ARG  27   4.864  -6.833   0.623
  225    HD2  ARG  27           2HD      ARG  27   5.437  -5.865  -1.291
  226    HD3  ARG  27           3HD      ARG  27   7.013  -6.652  -1.239
  227    HE   ARG  27           HE       ARG  27   4.788  -7.370  -2.879
  228   HH11  ARG  27          1HH1      ARG  27   7.581  -8.622  -1.220
  229   HH12  ARG  27          2HH1      ARG  27   7.761  -9.984  -2.277
  230   HH21  ARG  27          1HH2      ARG  27   5.014  -9.158  -4.277
  231   HH22  ARG  27          2HH2      ARG  27   6.300 -10.287  -4.016
  232    H    ALA  28           H        ALA  28   7.283  -7.035   4.847
  233    HA   ALA  28           HA       ALA  28   9.778  -8.199   4.965
  234    HB1  ALA  28           1HB      ALA  28   9.516  -8.211   7.397
  235    HB2  ALA  28           2HB      ALA  28   8.920  -6.709   6.691
  236    HB3  ALA  28           3HB      ALA  28   7.782  -7.951   7.212
  237    H    THR  29           H        THR  29   6.928  -9.661   6.531
  238    HA   THR  29           HA       THR  29   8.099 -12.214   6.765
  239    HB   THR  29           HB       THR  29   6.145 -11.341   8.111
  240    HG1  THR  29           HG1      THR  29   5.053 -13.542   7.897
  241   HG21  THR  29          3HG2      THR  29   3.935 -11.503   7.255
  242   HG22  THR  29          1HG2      THR  29   4.489 -12.302   5.784
  243   HG23  THR  29          2HG2      THR  29   4.863 -10.600   6.058
  244    H    PHE  30           H        PHE  30   6.187 -10.710   4.251
  245    HA   PHE  30           HA       PHE  30   6.621 -13.087   2.580
  246    HB2  PHE  30           2HB      PHE  30   4.427 -13.230   1.881
  247    HB3  PHE  30           3HB      PHE  30   4.198 -12.723   3.551
  248    HD1  PHE  30           HD1      PHE  30   4.519  -9.945   3.652
  249    HD2  PHE  30           HD2      PHE  30   2.903 -12.270   0.475
  250    HE1  PHE  30           HE1      PHE  30   3.232  -7.994   2.884
  251    HE2  PHE  30           HE2      PHE  30   1.614 -10.323  -0.300
  252    HZ   PHE  30           HZ       PHE  30   1.778  -8.181   0.905
  Start of MODEL   11
    1    H1   TYR   1           H        TYR   1   0.035  -8.603  -3.572
    2    HA   TYR   1           HA       TYR   1   2.061  -6.699  -4.162
    3    HB2  TYR   1           2HB      TYR   1   2.455  -8.772  -2.853
    4    HB3  TYR   1           3HB      TYR   1   2.207  -9.717  -4.317
    5    HD1  TYR   1           HD1      TYR   1   4.082  -6.529  -3.894
    6    HD2  TYR   1           HD2      TYR   1   4.287 -10.698  -4.717
    7    HE1  TYR   1           HE1      TYR   1   6.468  -6.297  -4.442
    8    HE2  TYR   1           HE2      TYR   1   6.675 -10.478  -5.266
    9    HH   TYR   1           HH       TYR   1   8.568  -8.257  -4.386
   10    H    ALA   2           H        ALA   2   0.675  -5.988  -6.128
   11    HA   ALA   2           HA       ALA   2   1.411  -7.550  -8.508
   12    HB1  ALA   2           1HB      ALA   2  -0.512  -5.258  -8.551
   13    HB2  ALA   2           2HB      ALA   2  -0.413  -6.655  -9.623
   14    HB3  ALA   2           3HB      ALA   2  -1.022  -6.847  -7.979
   15    H    GLU   3           H        GLU   3   1.367  -5.727 -10.476
   16    HA   GLU   3           HA       GLU   3   3.730  -4.114  -9.877
   17    HB2  GLU   3           2HB      GLU   3   2.508  -5.202 -12.381
   18    HB3  GLU   3           3HB      GLU   3   3.571  -3.806 -12.483
   19    HG2  GLU   3           2HG      GLU   3   5.348  -5.083 -11.390
   20    HG3  GLU   3           3HG      GLU   3   4.282  -6.485 -11.310
   21    H    LYS   4           H        LYS   4   0.958  -3.380  -9.077
   22    HA   LYS   4           HA       LYS   4  -0.113  -1.358 -10.665
   23    HB2  LYS   4           2HB      LYS   4  -0.973  -2.486  -8.456
   24    HB3  LYS   4           3HB      LYS   4  -0.165  -1.131  -7.679
   25    HG2  LYS   4           2HG      LYS   4  -2.280  -0.298  -7.913
   26    HG3  LYS   4           3HG      LYS   4  -1.533   0.285  -9.402
   27    HD2  LYS   4           2HD      LYS   4  -2.865  -2.380  -9.421
   28    HD3  LYS   4           3HD      LYS   4  -3.874  -0.931  -9.427
   29    HE2  LYS   4           2HE      LYS   4  -2.311  -0.169 -11.356
   30    HE3  LYS   4           3HE      LYS   4  -1.902  -1.880 -11.471
   31    HZ1  LYS   4           3HZ      LYS   4  -3.654  -1.689 -12.927
   32    HZ2  LYS   4           1HZ      LYS   4  -4.478  -0.552 -11.983
   33    HZ3  LYS   4           2HZ      LYS   4  -4.454  -2.179 -11.519
   34    H    VAL   5           H        VAL   5   2.308  -1.156  -8.076
   35    HA   VAL   5           HA       VAL   5   2.681   1.683  -8.510
   36    HB   VAL   5           HB       VAL   5   2.850   0.872  -6.237
   37   HG11  VAL   5          1HG1      VAL   5   5.269  -0.497  -6.099
   38   HG12  VAL   5          2HG1      VAL   5   3.653  -1.174  -5.889
   39   HG13  VAL   5          3HG1      VAL   5   4.426  -1.208  -7.475
   40   HG21  VAL   5          3HG2      VAL   5   4.481   2.661  -7.308
   41   HG22  VAL   5          1HG2      VAL   5   4.632   2.161  -5.623
   42   HG23  VAL   5          2HG2      VAL   5   5.697   1.470  -6.847
   43    H    ALA   6           H        ALA   6   4.071  -1.281  -9.585
   44    HA   ALA   6           HA       ALA   6   6.498   0.037 -10.540
   45    HB1  ALA   6           1HB      ALA   6   7.322  -2.158 -11.052
   46    HB2  ALA   6           2HB      ALA   6   6.641  -2.178  -9.425
   47    HB3  ALA   6           3HB      ALA   6   5.732  -2.868 -10.769
   48    H    GLN   7           H        GLN   7   3.754   0.513 -11.647
   49    HA   GLN   7           HA       GLN   7   3.973  -0.584 -14.339
   50    HB2  GLN   7           2HB      GLN   7   1.767  -0.640 -13.395
   51    HB3  GLN   7           3HB      GLN   7   1.843   1.066 -12.978
   52    HG2  GLN   7           2HG      GLN   7   0.442   0.785 -14.898
   53    HG3  GLN   7           3HG      GLN   7   1.920   1.617 -15.379
   54   HE21  GLN   7          1HE2      GLN   7   1.814   1.025 -17.510
   55   HE22  GLN   7          2HE2      GLN   7   2.042  -0.598 -18.053
   56    H    GLU   8           H        GLU   8   4.528   2.355 -12.596
   57    HA   GLU   8           HA       GLU   8   4.679   3.974 -15.002
   58    HB2  GLU   8           2HB      GLU   8   5.289   4.659 -12.121
   59    HB3  GLU   8           3HB      GLU   8   5.266   5.806 -13.453
   60    HG2  GLU   8           2HG      GLU   8   2.886   5.310 -13.812
   61    HG3  GLU   8           3HG      GLU   8   2.923   4.219 -12.428
   62    H    LYS   9           H        LYS   9   6.527   4.766 -15.925
   63    HA   LYS   9           HA       LYS   9   8.705   4.796 -16.580
   64    HB2  LYS   9           2HB      LYS   9   8.930   4.708 -13.594
   65    HB3  LYS   9           3HB      LYS   9  10.383   4.602 -14.579
   66    HG2  LYS   9           2HG      LYS   9   8.420   6.810 -15.024
   67    HG3  LYS   9           3HG      LYS   9   9.598   6.905 -13.712
   68    HD2  LYS   9           2HD      LYS   9  10.514   6.213 -16.470
   69    HD3  LYS   9           3HD      LYS   9  10.161   7.895 -16.067
   70    HE2  LYS   9           2HE      LYS   9  11.674   7.426 -13.999
   71    HE3  LYS   9           3HE      LYS   9  12.269   6.080 -14.970
   72    HZ1  LYS   9           3HZ      LYS   9  12.594   8.955 -15.382
   73    HZ2  LYS   9           1HZ      LYS   9  12.467   7.980 -16.759
   74    HZ3  LYS   9           2HZ      LYS   9  13.696   7.696 -15.632
   75    H    GLY  10           H        GLY  10   7.221   2.209 -16.300
   76    HA2  GLY  10           2HA      GLY  10   7.711   0.030 -16.872
   77    HA3  GLY  10           3HA      GLY  10   9.401   0.496 -16.998
   78    H    PHE  11           H        PHE  11   9.572  -1.740 -16.049
   79    HA   PHE  11           HA       PHE  11   8.900  -2.044 -13.270
   80    HB2  PHE  11           2HB      PHE  11   8.868  -4.027 -14.607
   81    HB3  PHE  11           3HB      PHE  11  10.503  -3.734 -15.191
   82    HD1  PHE  11           HD1      PHE  11  12.428  -4.198 -13.793
   83    HD2  PHE  11           HD2      PHE  11   8.471  -4.958 -12.422
   84    HE1  PHE  11           HE1      PHE  11  13.329  -5.582 -11.969
   85    HE2  PHE  11           HE2      PHE  11   9.366  -6.343 -10.596
   86    HZ   PHE  11           HZ       PHE  11  11.798  -6.656 -10.367
   87    H    LEU  12           H        LEU  12  11.672  -1.038 -15.114
   88    HA   LEU  12           HA       LEU  12  13.751  -1.430 -13.345
   89    HB2  LEU  12           2HB      LEU  12  13.349   1.029 -15.038
   90    HB3  LEU  12           3HB      LEU  12  14.879   0.400 -14.432
   91    HG   LEU  12           HG       LEU  12  13.261  -1.350 -16.211
   92   HD11  LEU  12          1HD1      LEU  12  14.982   0.118 -17.876
   93   HD12  LEU  12          2HD1      LEU  12  14.050   1.299 -16.956
   94   HD13  LEU  12          3HD1      LEU  12  13.219   0.071 -17.910
   95   HD21  LEU  12          3HD2      LEU  12  16.127  -0.911 -15.508
   96   HD22  LEU  12          1HD2      LEU  12  15.719  -1.655 -17.054
   97   HD23  LEU  12          2HD2      LEU  12  15.192  -2.406 -15.548
   98    H    TYR  13           H        TYR  13  11.355   1.165 -13.390
   99    HA   TYR  13           HA       TYR  13  12.415   2.873 -11.500
  100    HB2  TYR  13           2HB      TYR  13  10.458   3.556 -12.658
  101    HB3  TYR  13           3HB      TYR  13   9.554   2.146 -12.118
  102    HD1  TYR  13           HD1      TYR  13   8.659   2.036  -9.846
  103    HD2  TYR  13           HD2      TYR  13  10.744   5.480 -11.224
  104    HE1  TYR  13           HE1      TYR  13   7.779   3.323  -7.943
  105    HE2  TYR  13           HE2      TYR  13   9.871   6.775  -9.324
  106    HH   TYR  13           HH       TYR  13   7.763   6.588  -7.783
  107    H    ARG  14           H        ARG  14  10.302   0.065 -10.944
  108    HA   ARG  14           HA       ARG  14  10.041   0.227  -8.201
  109    HB2  ARG  14           2HB      ARG  14   9.145  -1.503 -10.022
  110    HB3  ARG  14           3HB      ARG  14  10.468  -2.471  -9.384
  111    HG2  ARG  14           2HG      ARG  14   9.472  -1.990  -7.081
  112    HG3  ARG  14           3HG      ARG  14   8.039  -1.452  -7.959
  113    HD2  ARG  14           2HD      ARG  14   8.460  -3.802  -9.183
  114    HD3  ARG  14           3HD      ARG  14   9.147  -4.169  -7.601
  115    HE   ARG  14           HE       ARG  14   6.535  -2.957  -7.509
  116   HH11  ARG  14          1HH1      ARG  14   8.329  -5.934  -7.711
  117   HH12  ARG  14          2HH1      ARG  14   7.042  -6.905  -7.077
  118   HH21  ARG  14          1HH2      ARG  14   4.833  -4.225  -6.673
  119   HH22  ARG  14          2HH2      ARG  14   5.053  -5.932  -6.488
  120    H    LEU  15           H        LEU  15  12.781  -0.799 -10.096
  121    HA   LEU  15           HA       LEU  15  14.190  -1.997  -7.900
  122    HB2  LEU  15           2HB      LEU  15  15.255  -1.066 -10.561
  123    HB3  LEU  15           3HB      LEU  15  16.058  -2.156  -9.432
  124    HG   LEU  15           HG       LEU  15  13.445  -2.827 -10.770
  125   HD11  LEU  15          1HD1      LEU  15  15.248  -2.393 -12.435
  126   HD12  LEU  15          2HD1      LEU  15  14.653  -4.053 -12.427
  127   HD13  LEU  15          3HD1      LEU  15  16.196  -3.666 -11.666
  128   HD21  LEU  15          3HD2      LEU  15  15.531  -4.669  -9.635
  129   HD22  LEU  15          1HD2      LEU  15  13.857  -5.030 -10.056
  130   HD23  LEU  15          2HD2      LEU  15  14.215  -4.014  -8.660
  131    H    THR  16           H        THR  16  13.601   0.156  -6.692
  132    HA   THR  16           HA       THR  16  15.940   1.937  -6.913
  133    HB   THR  16           HB       THR  16  14.388   3.674  -5.813
  134    HG1  THR  16           HG1      THR  16  12.132   3.207  -6.646
  135   HG21  THR  16          3HG2      THR  16  13.215   3.929  -8.221
  136   HG22  THR  16          1HG2      THR  16  14.498   2.792  -8.632
  137   HG23  THR  16          2HG2      THR  16  14.899   4.353  -7.916
  138    H    SER  17           H        SER  17  16.697   2.873  -4.924
  139    HA   SER  17           HA       SER  17  17.062   1.082  -2.856
  140    HB2  SER  17           2HB      SER  17  18.208   3.399  -3.424
  141    HB3  SER  17           3HB      SER  17  17.070   4.003  -2.219
  142    HG   SER  17           HG       SER  17  19.254   3.210  -1.513
  143    H    ARG  18           H        ARG  18  14.744   3.772  -3.028
  144    HA   ARG  18           HA       ARG  18  13.613   3.537  -0.511
  145    HB2  ARG  18           2HB      ARG  18  12.566   4.486  -3.153
  146    HB3  ARG  18           3HB      ARG  18  11.479   4.376  -1.774
  147    HG2  ARG  18           2HG      ARG  18  12.272   6.603  -1.864
  148    HG3  ARG  18           3HG      ARG  18  13.089   5.821  -0.509
  149    HD2  ARG  18           2HD      ARG  18  15.096   5.565  -1.769
  150    HD3  ARG  18           3HD      ARG  18  14.292   6.062  -3.258
  151    HE   ARG  18           HE       ARG  18  14.040   8.169  -1.482
  152   HH11  ARG  18          1HH1      ARG  18  16.612   6.425  -3.052
  153   HH12  ARG  18          2HH1      ARG  18  17.688   7.783  -3.084
  154   HH21  ARG  18          1HH2      ARG  18  15.448   9.963  -1.518
  155   HH22  ARG  18          2HH2      ARG  18  17.025   9.794  -2.211
  156    H    TYR  19           H        TYR  19  12.525   1.993  -3.532
  157    HA   TYR  19           HA       TYR  19  10.377   0.569  -2.543
  158    HB2  TYR  19           2HB      TYR  19  10.767   0.634  -4.905
  159    HB3  TYR  19           3HB      TYR  19  12.337  -0.141  -4.729
  160    HD1  TYR  19           HD1      TYR  19   8.690  -0.722  -4.326
  161    HD2  TYR  19           HD2      TYR  19  12.533  -2.477  -4.825
  162    HE1  TYR  19           HE1      TYR  19   7.636  -2.918  -4.669
  163    HE2  TYR  19           HE2      TYR  19  11.490  -4.677  -5.171
  164    HH   TYR  19           HH       TYR  19   9.392  -5.824  -4.630
  165    H    ARG  20           H        ARG  20  13.795  -0.374  -2.616
  166    HA   ARG  20           HA       ARG  20  13.600  -2.965  -1.686
  167    HB2  ARG  20           2HB      ARG  20  15.746  -0.996  -0.881
  168    HB3  ARG  20           3HB      ARG  20  15.885  -2.749  -0.937
  169    HG2  ARG  20           2HG      ARG  20  15.068  -1.795  -3.500
  170    HG3  ARG  20           3HG      ARG  20  16.484  -0.890  -2.960
  171    HD2  ARG  20           2HD      ARG  20  16.212  -3.884  -3.175
  172    HD3  ARG  20           3HD      ARG  20  17.205  -2.834  -4.185
  173    HE   ARG  20           HE       ARG  20  17.825  -3.799  -1.542
  174   HH11  ARG  20          1HH1      ARG  20  18.470  -1.369  -3.949
  175   HH12  ARG  20          2HH1      ARG  20  20.040  -0.983  -3.328
  176   HH21  ARG  20          1HH2      ARG  20  19.891  -3.301  -0.714
  177   HH22  ARG  20          2HH2      ARG  20  20.848  -2.083  -1.488
  178    H    HIS  21           H        HIS  21  13.352   0.046   0.085
  179    HA   HIS  21           HA       HIS  21  13.325  -1.297   2.657
  180    HB2  HIS  21           2HB      HIS  21  13.206   1.560   1.758
  181    HB3  HIS  21           3HB      HIS  21  12.709   1.139   3.395
  182    HD1  HIS  21           HD1      HIS  21  14.685  -0.452   4.639
  183    HD2  HIS  21           HD2      HIS  21  15.819   2.201   1.649
  184    HE1  HIS  21           HE1      HIS  21  17.149  -0.077   4.972
  185    H    TYR  22           H        TYR  22  11.058   0.460   0.574
  186    HA   TYR  22           HA       TYR  22   8.829   0.378   2.252
  187    HB2  TYR  22           2HB      TYR  22   9.113   0.487  -0.744
  188    HB3  TYR  22           3HB      TYR  22   7.533   0.479   0.032
  189    HD1  TYR  22           HD1      TYR  22   7.905   2.193   2.348
  190    HD2  TYR  22           HD2      TYR  22   9.441   2.617  -1.597
  191    HE1  TYR  22           HE1      TYR  22   8.047   4.627   2.672
  192    HE2  TYR  22           HE2      TYR  22   9.589   5.052  -1.283
  193    HH   TYR  22           HH       TYR  22   8.107   6.762   0.560
  194    H    ALA  23           H        ALA  23  10.177  -2.035   0.101
  195    HA   ALA  23           HA       ALA  23   7.913  -3.821   0.466
  196    HB1  ALA  23           1HB      ALA  23   9.071  -3.643  -1.719
  197    HB2  ALA  23           2HB      ALA  23  10.510  -4.341  -0.974
  198    HB3  ALA  23           3HB      ALA  23   9.025  -5.287  -1.081
  199    H    ALA  24           H        ALA  24  10.390  -2.966   2.372
  200    HA   ALA  24           HA       ALA  24  11.135  -5.634   3.276
  201    HB1  ALA  24           1HB      ALA  24  12.469  -3.207   3.207
  202    HB2  ALA  24           2HB      ALA  24  12.108  -3.454   4.916
  203    HB3  ALA  24           3HB      ALA  24  13.004  -4.680   4.018
  204    H    PHE  25           H        PHE  25   8.708  -3.408   3.881
  205    HA   PHE  25           HA       PHE  25   8.072  -4.731   6.421
  206    HB2  PHE  25           2HB      PHE  25   7.663  -1.771   6.000
  207    HB3  PHE  25           3HB      PHE  25   7.481  -2.682   7.495
  208    HD1  PHE  25           HD1      PHE  25   9.423  -3.392   8.766
  209    HD2  PHE  25           HD2      PHE  25   9.831  -1.111   5.195
  210    HE1  PHE  25           HE1      PHE  25  11.756  -2.883   9.361
  211    HE2  PHE  25           HE2      PHE  25  12.165  -0.599   5.784
  212    HZ   PHE  25           HZ       PHE  25  13.130  -1.486   7.869
  213    H    GLU  26           H        GLU  26   6.935  -2.766   3.712
  214    HA   GLU  26           HA       GLU  26   4.160  -3.328   4.280
  215    HB2  GLU  26           2HB      GLU  26   5.330  -2.098   1.783
  216    HB3  GLU  26           3HB      GLU  26   3.666  -1.995   2.340
  217    HG2  GLU  26           2HG      GLU  26   6.098  -0.659   3.466
  218    HG3  GLU  26           3HG      GLU  26   4.619   0.076   2.852
  219    H    ARG  27           H        ARG  27   6.704  -4.775   2.494
  220    HA   ARG  27           HA       ARG  27   4.876  -6.846   1.560
  221    HB2  ARG  27           2HB      ARG  27   6.513  -5.075  -0.204
  222    HB3  ARG  27           3HB      ARG  27   6.299  -6.759  -0.661
  223    HG2  ARG  27           2HG      ARG  27   4.033  -6.519  -1.007
  224    HG3  ARG  27           3HG      ARG  27   3.919  -5.103   0.041
  225    HD2  ARG  27           2HD      ARG  27   5.099  -3.763  -1.604
  226    HD3  ARG  27           3HD      ARG  27   5.306  -5.177  -2.636
  227    HE   ARG  27           HE       ARG  27   3.180  -4.865  -3.402
  228   HH11  ARG  27          1HH1      ARG  27   3.547  -3.153  -0.393
  229   HH12  ARG  27          2HH1      ARG  27   1.989  -2.399  -0.482
  230   HH21  ARG  27          1HH2      ARG  27   1.127  -3.878  -3.530
  231   HH22  ARG  27          2HH2      ARG  27   0.614  -2.813  -2.266
  232    H    ALA  28           H        ALA  28   7.072  -6.513   3.562
  233    HA   ALA  28           HA       ALA  28   9.437  -7.745   2.819
  234    HB1  ALA  28           1HB      ALA  28   8.647  -8.624   5.441
  235    HB2  ALA  28           2HB      ALA  28   9.906  -7.480   4.973
  236    HB3  ALA  28           3HB      ALA  28   8.251  -6.921   5.211
  237    H    THR  29           H        THR  29   6.852  -9.430   4.605
  238    HA   THR  29           HA       THR  29   7.716 -11.938   3.358
  239    HB   THR  29           HB       THR  29   7.488 -11.724   5.885
  240    HG1  THR  29           HG1      THR  29   7.571 -13.791   5.275
  241   HG21  THR  29          3HG2      THR  29   5.386 -11.698   6.899
  242   HG22  THR  29          1HG2      THR  29   4.553 -12.128   5.406
  243   HG23  THR  29          2HG2      THR  29   5.225 -10.510   5.606
  244    H    PHE  30           H        PHE  30   5.014  -9.748   3.577
  245    HA   PHE  30           HA       PHE  30   3.415 -11.558   1.894
  246    HB2  PHE  30           2HB      PHE  30   1.535  -9.892   2.609
  247    HB3  PHE  30           3HB      PHE  30   2.076 -11.126   3.742
  248    HD1  PHE  30           HD1      PHE  30   3.322  -7.744   2.767
  249    HD2  PHE  30           HD2      PHE  30   2.095 -10.355   5.896
  250    HE1  PHE  30           HE1      PHE  30   3.829  -5.994   4.421
  251    HE2  PHE  30           HE2      PHE  30   2.598  -8.610   7.555
  252    HZ   PHE  30           HZ       PHE  30   3.466  -6.426   6.819
  Start of MODEL   12
    1    H1   TYR   1           H        TYR   1   0.718  -2.549  -2.616
    2    HA   TYR   1           HA       TYR   1   1.119  -0.105  -4.078
    3    HB2  TYR   1           2HB      TYR   1   1.599  -0.111  -1.714
    4    HB3  TYR   1           3HB      TYR   1   2.726  -1.449  -1.898
    5    HD1  TYR   1           HD1      TYR   1   2.217   2.147  -2.406
    6    HD2  TYR   1           HD2      TYR   1   4.960  -1.087  -2.757
    7    HE1  TYR   1           HE1      TYR   1   4.057   3.750  -2.713
    8    HE2  TYR   1           HE2      TYR   1   6.808   0.507  -3.064
    9    HH   TYR   1           HH       TYR   1   6.341   3.750  -3.763
   10    H    ALA   2           H        ALA   2   2.912   0.441  -5.351
   11    HA   ALA   2           HA       ALA   2   4.373   0.088  -7.066
   12    HB1  ALA   2           1HB      ALA   2   5.374  -2.005  -5.140
   13    HB2  ALA   2           2HB      ALA   2   6.252  -1.434  -6.559
   14    HB3  ALA   2           3HB      ALA   2   5.894  -0.322  -5.238
   15    H    GLU   3           H        GLU   3   1.837  -1.382  -7.134
   16    HA   GLU   3           HA       GLU   3   2.638  -3.772  -8.651
   17    HB2  GLU   3           2HB      GLU   3   0.421  -4.637  -8.275
   18    HB3  GLU   3           3HB      GLU   3   1.097  -4.129  -6.734
   19    HG2  GLU   3           2HG      GLU   3  -0.182  -2.027  -6.904
   20    HG3  GLU   3           3HG      GLU   3  -0.914  -2.626  -8.391
   21    H    LYS   4           H        LYS   4   1.053  -0.698  -8.843
   22    HA   LYS   4           HA       LYS   4   0.391  -1.224 -11.667
   23    HB2  LYS   4           2HB      LYS   4  -1.364   0.417 -11.509
   24    HB3  LYS   4           3HB      LYS   4  -1.563  -0.740 -10.200
   25    HG2  LYS   4           2HG      LYS   4  -0.247   0.969  -8.788
   26    HG3  LYS   4           3HG      LYS   4  -0.652   2.105 -10.078
   27    HD2  LYS   4           2HD      LYS   4  -2.819   0.432  -8.896
   28    HD3  LYS   4           3HD      LYS   4  -2.217   1.817  -7.982
   29    HE2  LYS   4           2HE      LYS   4  -2.961   3.339  -9.547
   30    HE3  LYS   4           3HE      LYS   4  -2.940   2.161 -10.858
   31    HZ1  LYS   4           3HZ      LYS   4  -5.058   2.836  -9.054
   32    HZ2  LYS   4           1HZ      LYS   4  -4.779   1.168  -9.116
   33    HZ3  LYS   4           2HZ      LYS   4  -5.122   2.022 -10.535
   34    H    VAL   5           H        VAL   5   2.064   0.813  -9.417
   35    HA   VAL   5           HA       VAL   5   2.617   2.906 -11.322
   36    HB   VAL   5           HB       VAL   5   3.898   2.388  -8.635
   37   HG11  VAL   5          1HG1      VAL   5   4.264   4.944  -8.871
   38   HG12  VAL   5          2HG1      VAL   5   5.347   3.838  -9.718
   39   HG13  VAL   5          3HG1      VAL   5   4.046   4.644 -10.595
   40   HG21  VAL   5          3HG2      VAL   5   1.452   3.925  -9.445
   41   HG22  VAL   5          1HG2      VAL   5   1.637   2.731  -8.161
   42   HG23  VAL   5          2HG2      VAL   5   2.352   4.333  -7.984
   43    H    ALA   6           H        ALA   6   4.528   0.361  -9.725
   44    HA   ALA   6           HA       ALA   6   6.930   0.888 -11.107
   45    HB1  ALA   6           1HB      ALA   6   6.536  -0.505  -8.977
   46    HB2  ALA   6           2HB      ALA   6   6.203  -1.834 -10.089
   47    HB3  ALA   6           3HB      ALA   6   7.776  -1.037 -10.113
   48    H    GLN   7           H        GLN   7   4.405  -1.562 -11.664
   49    HA   GLN   7           HA       GLN   7   5.505  -2.832 -13.857
   50    HB2  GLN   7           2HB      GLN   7   3.333  -3.648 -14.349
   51    HB3  GLN   7           3HB      GLN   7   3.401  -3.459 -12.602
   52    HG2  GLN   7           2HG      GLN   7   2.172  -1.374 -12.756
   53    HG3  GLN   7           3HG      GLN   7   2.145  -1.504 -14.514
   54   HE21  GLN   7          1HE2      GLN   7  -0.195  -1.293 -14.094
   55   HE22  GLN   7          2HE2      GLN   7  -1.098  -2.733 -13.785
   56    H    GLU   8           H        GLU   8   3.961   0.283 -13.656
   57    HA   GLU   8           HA       GLU   8   3.567   0.605 -16.471
   58    HB2  GLU   8           2HB      GLU   8   2.488   1.850 -14.390
   59    HB3  GLU   8           3HB      GLU   8   3.824   2.960 -14.659
   60    HG2  GLU   8           2HG      GLU   8   3.007   2.957 -17.115
   61    HG3  GLU   8           3HG      GLU   8   1.508   2.328 -16.432
   62    H    LYS   9           H        LYS   9   5.801   2.207 -14.194
   63    HA   LYS   9           HA       LYS   9   7.364   3.538 -16.039
   64    HB2  LYS   9           2HB      LYS   9   8.309   2.278 -13.457
   65    HB3  LYS   9           3HB      LYS   9   9.117   3.573 -14.330
   66    HG2  LYS   9           2HG      LYS   9   6.309   3.886 -13.336
   67    HG3  LYS   9           3HG      LYS   9   7.699   4.184 -12.290
   68    HD2  LYS   9           2HD      LYS   9   7.444   5.487 -14.984
   69    HD3  LYS   9           3HD      LYS   9   6.695   6.182 -13.545
   70    HE2  LYS   9           2HE      LYS   9   8.775   6.512 -12.495
   71    HE3  LYS   9           3HE      LYS   9   9.607   5.449 -13.629
   72    HZ1  LYS   9           3HZ      LYS   9   9.064   7.105 -15.387
   73    HZ2  LYS   9           1HZ      LYS   9  10.128   7.677 -14.202
   74    HZ3  LYS   9           2HZ      LYS   9   8.503   8.147 -14.177
   75    H    GLY  10           H        GLY  10   8.501   0.582 -14.400
   76    HA2  GLY  10           2HA      GLY  10   8.985  -1.044 -16.546
   77    HA3  GLY  10           3HA      GLY  10  10.369   0.038 -16.509
   78    H    PHE  11           H        PHE  11  11.600  -1.942 -16.164
   79    HA   PHE  11           HA       PHE  11  11.275  -3.332 -13.658
   80    HB2  PHE  11           2HB      PHE  11  12.029  -4.576 -15.607
   81    HB3  PHE  11           3HB      PHE  11  13.422  -3.514 -15.780
   82    HD1  PHE  11           HD1      PHE  11  11.840  -5.734 -13.234
   83    HD2  PHE  11           HD2      PHE  11  15.435  -4.234 -14.949
   84    HE1  PHE  11           HE1      PHE  11  13.151  -7.228 -11.784
   85    HE2  PHE  11           HE2      PHE  11  16.752  -5.726 -13.502
   86    HZ   PHE  11           HZ       PHE  11  15.611  -7.226 -11.918
   87    H    LEU  12           H        LEU  12  13.820  -1.296 -15.097
   88    HA   LEU  12           HA       LEU  12  15.542  -1.175 -12.941
   89    HB2  LEU  12           2HB      LEU  12  14.951   1.170 -14.727
   90    HB3  LEU  12           3HB      LEU  12  16.464   0.785 -13.910
   91    HG   LEU  12           HG       LEU  12  15.260  -0.650 -16.273
   92   HD11  LEU  12          1HD1      LEU  12  16.283   1.273 -17.085
   93   HD12  LEU  12          2HD1      LEU  12  17.548   0.052 -17.218
   94   HD13  LEU  12          3HD1      LEU  12  17.577   1.210 -15.888
   95   HD21  LEU  12          3HD2      LEU  12  17.227  -1.506 -14.286
   96   HD22  LEU  12          1HD2      LEU  12  17.791  -1.627 -15.953
   97   HD23  LEU  12          2HD2      LEU  12  16.312  -2.451 -15.462
   98    H    TYR  13           H        TYR  13  12.670   0.779 -13.593
   99    HA   TYR  13           HA       TYR  13  12.899   2.690 -11.615
  100    HB2  TYR  13           2HB      TYR  13  11.125   2.850 -13.215
  101    HB3  TYR  13           3HB      TYR  13  10.445   1.308 -12.705
  102    HD1  TYR  13           HD1      TYR  13  10.847   4.854 -11.826
  103    HD2  TYR  13           HD2      TYR  13   9.057   1.149 -10.743
  104    HE1  TYR  13           HE1      TYR  13   9.380   6.033 -10.243
  105    HE2  TYR  13           HE2      TYR  13   7.583   2.318  -9.158
  106    HH   TYR  13           HH       TYR  13   7.741   5.847  -8.763
  107    H    ARG  14           H        ARG  14  11.254  -0.463 -11.347
  108    HA   ARG  14           HA       ARG  14  10.514  -0.334  -8.692
  109    HB2  ARG  14           2HB      ARG  14  10.219  -2.191 -10.584
  110    HB3  ARG  14           3HB      ARG  14  11.546  -2.936  -9.703
  111    HG2  ARG  14           2HG      ARG  14  10.227  -2.885  -7.653
  112    HG3  ARG  14           3HG      ARG  14   8.897  -2.120  -8.526
  113    HD2  ARG  14           2HD      ARG  14   9.970  -4.660  -9.618
  114    HD3  ARG  14           3HD      ARG  14   9.031  -4.751  -8.128
  115    HE   ARG  14           HE       ARG  14   7.778  -3.227 -10.227
  116   HH11  ARG  14          1HH1      ARG  14   8.207  -6.380  -8.816
  117   HH12  ARG  14          2HH1      ARG  14   6.733  -7.016  -9.468
  118   HH21  ARG  14          1HH2      ARG  14   5.835  -4.052 -11.092
  119   HH22  ARG  14          2HH2      ARG  14   5.386  -5.691 -10.763
  120    H    LEU  15           H        LEU  15  13.656  -0.972 -10.079
  121    HA   LEU  15           HA       LEU  15  14.857  -1.943  -7.677
  122    HB2  LEU  15           2HB      LEU  15  16.258  -0.695 -10.030
  123    HB3  LEU  15           3HB      LEU  15  16.930  -1.817  -8.849
  124    HG   LEU  15           HG       LEU  15  14.786  -2.527 -10.848
  125   HD11  LEU  15          1HD1      LEU  15  16.443  -3.535 -12.186
  126   HD12  LEU  15          2HD1      LEU  15  17.683  -3.317 -10.951
  127   HD13  LEU  15          3HD1      LEU  15  17.044  -1.919 -11.815
  128   HD21  LEU  15          3HD2      LEU  15  15.395  -4.837 -10.220
  129   HD22  LEU  15          1HD2      LEU  15  14.714  -3.918  -8.878
  130   HD23  LEU  15          2HD2      LEU  15  16.454  -4.191  -8.966
  131    H    THR  16           H        THR  16  14.047  -0.253  -6.237
  132    HA   THR  16           HA       THR  16  15.955   1.960  -6.085
  133    HB   THR  16           HB       THR  16  14.114   3.527  -5.434
  134    HG1  THR  16           HG1      THR  16  12.069   2.890  -5.540
  135   HG21  THR  16          3HG2      THR  16  14.316   2.373  -8.192
  136   HG22  THR  16          1HG2      THR  16  14.914   3.915  -7.583
  137   HG23  THR  16          2HG2      THR  16  13.187   3.684  -7.853
  138    H    SER  17           H        SER  17  15.659   3.148  -3.920
  139    HA   SER  17           HA       SER  17  15.925   1.227  -1.842
  140    HB2  SER  17           2HB      SER  17  16.947   3.654  -2.126
  141    HB3  SER  17           3HB      SER  17  15.507   4.122  -1.222
  142    HG   SER  17           HG       SER  17  17.539   2.311  -0.430
  143    H    ARG  18           H        ARG  18  13.464   3.687  -2.565
  144    HA   ARG  18           HA       ARG  18  11.803   3.313  -0.385
  145    HB2  ARG  18           2HB      ARG  18  11.416   4.274  -3.171
  146    HB3  ARG  18           3HB      ARG  18   9.971   3.866  -2.256
  147    HG2  ARG  18           2HG      ARG  18  10.346   6.183  -1.968
  148    HG3  ARG  18           3HG      ARG  18  10.795   5.399  -0.452
  149    HD2  ARG  18           2HD      ARG  18  12.424   7.105  -1.100
  150    HD3  ARG  18           3HD      ARG  18  13.144   5.496  -1.078
  151    HE   ARG  18           HE       ARG  18  12.182   6.296  -3.665
  152   HH11  ARG  18          1HH1      ARG  18  14.861   6.412  -1.445
  153   HH12  ARG  18          2HH1      ARG  18  16.046   6.663  -2.683
  154   HH21  ARG  18          1HH2      ARG  18  13.733   6.626  -5.305
  155   HH22  ARG  18          2HH2      ARG  18  15.403   6.785  -4.879
  156    H    TYR  19           H        TYR  19  11.632   1.679  -3.546
  157    HA   TYR  19           HA       TYR  19   9.462   0.033  -3.043
  158    HB2  TYR  19           2HB      TYR  19  10.328   0.169  -5.265
  159    HB3  TYR  19           3HB      TYR  19  11.909  -0.411  -4.755
  160    HD1  TYR  19           HD1      TYR  19   8.340  -1.531  -4.716
  161    HD2  TYR  19           HD2      TYR  19  12.427  -2.613  -5.197
  162    HE1  TYR  19           HE1      TYR  19   7.661  -3.833  -5.253
  163    HE2  TYR  19           HE2      TYR  19  11.759  -4.918  -5.737
  164    HH   TYR  19           HH       TYR  19   9.976  -6.412  -5.538
  165    H    ARG  20           H        ARG  20  12.878  -0.989  -2.863
  166    HA   ARG  20           HA       ARG  20  12.479  -3.440  -1.659
  167    HB2  ARG  20           2HB      ARG  20  14.787  -1.514  -1.359
  168    HB3  ARG  20           3HB      ARG  20  14.817  -3.173  -0.777
  169    HG2  ARG  20           2HG      ARG  20  14.421  -3.945  -3.096
  170    HG3  ARG  20           3HG      ARG  20  14.541  -2.268  -3.634
  171    HD2  ARG  20           2HD      ARG  20  16.788  -2.194  -3.345
  172    HD3  ARG  20           3HD      ARG  20  16.752  -3.278  -1.955
  173    HE   ARG  20           HE       ARG  20  16.095  -4.791  -4.187
  174   HH11  ARG  20          1HH1      ARG  20  18.810  -2.964  -2.999
  175   HH12  ARG  20          2HH1      ARG  20  19.989  -3.945  -3.807
  176   HH21  ARG  20          1HH2      ARG  20  17.637  -6.089  -5.255
  177   HH22  ARG  20          2HH2      ARG  20  19.320  -5.721  -5.090
  178    H    HIS  21           H        HIS  21  12.434  -0.256  -0.239
  179    HA   HIS  21           HA       HIS  21  12.647  -1.091   2.476
  180    HB2  HIS  21           2HB      HIS  21  12.001   1.428   1.047
  181    HB3  HIS  21           3HB      HIS  21  11.404   1.285   2.698
  182    HD1  HIS  21           HD1      HIS  21  14.661  -0.307   1.866
  183    HD2  HIS  21           HD2      HIS  21  13.269   3.235   3.533
  184    HE1  HIS  21           HE1      HIS  21  16.671   0.775   2.920
  185    H    TYR  22           H        TYR  22   9.858   0.083   0.583
  186    HA   TYR  22           HA       TYR  22   7.919  -0.486   2.524
  187    HB2  TYR  22           2HB      TYR  22   7.595  -0.394  -0.483
  188    HB3  TYR  22           3HB      TYR  22   6.290  -0.294   0.694
  189    HD1  TYR  22           HD2      TYR  22   7.148   1.576   2.664
  190    HD2  TYR  22           HD1      TYR  22   7.878   1.640  -1.527
  191    HE1  TYR  22           HE2      TYR  22   7.412   4.020   2.753
  192    HE2  TYR  22           HE1      TYR  22   8.146   4.084  -1.449
  193    HH   TYR  22           HH       TYR  22   7.388   5.973   0.035
  194    H    ALA  23           H        ALA  23   9.520  -2.511   0.206
  195    HA   ALA  23           HA       ALA  23   7.641  -4.705   0.649
  196    HB1  ALA  23           1HB      ALA  23  10.000  -4.437  -1.208
  197    HB2  ALA  23           2HB      ALA  23   9.000  -5.884  -1.067
  198    HB3  ALA  23           3HB      ALA  23   8.290  -4.373  -1.636
  199    H    ALA  24           H        ALA  24  10.055  -3.485   2.367
  200    HA   ALA  24           HA       ALA  24  11.445  -5.987   2.944
  201    HB1  ALA  24           1HB      ALA  24  13.151  -4.592   3.216
  202    HB2  ALA  24           2HB      ALA  24  12.085  -3.187   3.170
  203    HB3  ALA  24           3HB      ALA  24  12.373  -4.025   4.695
  204    H    PHE  25           H        PHE  25   8.800  -4.189   4.066
  205    HA   PHE  25           HA       PHE  25   8.735  -5.794   6.529
  206    HB2  PHE  25           2HB      PHE  25   7.718  -2.957   6.379
  207    HB3  PHE  25           3HB      PHE  25   7.915  -3.957   7.814
  208    HD1  PHE  25           HD2      PHE  25   9.657  -1.961   5.278
  209    HD2  PHE  25           HD1      PHE  25  10.046  -4.207   8.873
  210    HE1  PHE  25           HE2      PHE  25  11.907  -1.025   5.615
  211    HE2  PHE  25           HE1      PHE  25  12.297  -3.273   9.216
  212    HZ   PHE  25           HZ       PHE  25  13.231  -1.682   7.586
  213    H    GLU  26           H        GLU  26   6.919  -4.002   4.092
  214    HA   GLU  26           HA       GLU  26   4.404  -5.163   4.949
  215    HB2  GLU  26           2HB      GLU  26   4.864  -3.542   2.452
  216    HB3  GLU  26           3HB      GLU  26   3.365  -3.761   3.343
  217    HG2  GLU  26           2HG      GLU  26   5.746  -2.098   4.074
  218    HG3  GLU  26           3HG      GLU  26   4.073  -1.592   3.847
  219    H    ARG  27           H        ARG  27   6.873  -5.738   2.592
  220    HA   ARG  27           HA       ARG  27   5.346  -8.045   1.607
  221    HB2  ARG  27           2HB      ARG  27   7.084  -6.407  -0.225
  222    HB3  ARG  27           3HB      ARG  27   5.889  -7.625  -0.651
  223    HG2  ARG  27           2HG      ARG  27   4.391  -5.763   0.691
  224    HG3  ARG  27           3HG      ARG  27   5.567  -4.773  -0.175
  225    HD2  ARG  27           2HD      ARG  27   3.681  -6.815  -1.340
  226    HD3  ARG  27           3HD      ARG  27   3.640  -5.067  -1.572
  227    HE   ARG  27           HE       ARG  27   6.111  -5.883  -2.468
  228   HH11  ARG  27          1HH1      ARG  27   2.787  -6.565  -3.246
  229   HH12  ARG  27          2HH1      ARG  27   3.110  -6.899  -4.915
  230   HH21  ARG  27          1HH2      ARG  27   6.549  -6.320  -4.664
  231   HH22  ARG  27          2HH2      ARG  27   5.250  -6.760  -5.720
  232    H    ALA  28           H        ALA  28   7.642  -7.518   3.520
  233    HA   ALA  28           HA       ALA  28  10.084  -8.347   2.544
  234    HB1  ALA  28           1HB      ALA  28   9.562  -9.554   5.115
  235    HB2  ALA  28           2HB      ALA  28  10.668  -8.248   4.687
  236    HB3  ALA  28           3HB      ALA  28   8.981  -7.890   5.056
  237    H    THR  29           H        THR  29   7.863 -10.537   4.275
  238    HA   THR  29           HA       THR  29   8.961 -12.762   2.704
  239    HB   THR  29           HB       THR  29   9.005 -12.823   5.253
  240    HG1  THR  29           HG1      THR  29   9.119 -14.693   3.779
  241   HG21  THR  29          3HG2      THR  29   6.581 -11.967   5.359
  242   HG22  THR  29          1HG2      THR  29   7.049 -13.259   6.464
  243   HG23  THR  29          2HG2      THR  29   6.123 -13.634   5.010
  244    H    PHE  30           H        PHE  30   6.029 -11.033   3.437
  245    HA   PHE  30           HA       PHE  30   4.514 -12.892   1.728
  246    HB2  PHE  30           2HB      PHE  30   2.515 -11.620   2.844
  247    HB3  PHE  30           3HB      PHE  30   3.349 -12.891   3.732
  248    HD1  PHE  30           HD2      PHE  30   4.074  -9.282   3.118
  249    HD2  PHE  30           HD1      PHE  30   3.450 -12.386   5.963
  250    HE1  PHE  30           HE2      PHE  30   4.536  -7.698   4.943
  251    HE2  PHE  30           HE1      PHE  30   3.910 -10.806   7.792
  252    HZ   PHE  30           HZ       PHE  30   4.456  -8.459   7.284
  Start of MODEL   13
    1    H1   TYR   1           H        TYR   1   3.786  -5.960  -5.312
    2    HA   TYR   1           HA       TYR   1   2.639  -4.853  -2.877
    3    HB2  TYR   1           2HB      TYR   1   5.061  -4.506  -3.637
    4    HB3  TYR   1           3HB      TYR   1   4.407  -3.398  -4.838
    5    HD1  TYR   1           HD1      TYR   1   2.800  -1.541  -3.863
    6    HD2  TYR   1           HD2      TYR   1   5.706  -3.656  -1.586
    7    HE1  TYR   1           HE1      TYR   1   2.809   0.272  -2.201
    8    HE2  TYR   1           HE2      TYR   1   5.722  -1.850   0.083
    9    HH   TYR   1           HH       TYR   1   3.478   0.862  -0.123
   10    H    ALA   2           H        ALA   2   2.697  -4.098  -6.354
   11    HA   ALA   2           HA       ALA   2  -0.018  -3.323  -6.422
   12    HB1  ALA   2           1HB      ALA   2   0.061  -0.988  -6.546
   13    HB2  ALA   2           2HB      ALA   2   1.089  -1.389  -5.169
   14    HB3  ALA   2           3HB      ALA   2   1.816  -0.967  -6.719
   15    H    GLU   3           H        GLU   3  -0.677  -2.528  -8.544
   16    HA   GLU   3           HA       GLU   3   1.319  -3.083 -10.638
   17    HB2  GLU   3           2HB      GLU   3  -0.510  -4.062 -11.996
   18    HB3  GLU   3           3HB      GLU   3  -0.185  -4.971 -10.527
   19    HG2  GLU   3           2HG      GLU   3  -2.445  -4.932 -10.434
   20    HG3  GLU   3           3HG      GLU   3  -2.108  -3.430  -9.576
   21    H    LYS   4           H        LYS   4   0.447  -0.544  -9.453
   22    HA   LYS   4           HA       LYS   4  -0.821   0.696 -11.806
   23    HB2  LYS   4           2HB      LYS   4  -2.045   0.878  -9.617
   24    HB3  LYS   4           3HB      LYS   4  -0.692   1.819  -9.004
   25    HG2  LYS   4           2HG      LYS   4  -2.238   3.424  -9.647
   26    HG3  LYS   4           3HG      LYS   4  -1.113   3.364 -11.006
   27    HD2  LYS   4           2HD      LYS   4  -2.623   2.124 -12.330
   28    HD3  LYS   4           3HD      LYS   4  -3.647   1.745 -10.943
   29    HE2  LYS   4           2HE      LYS   4  -4.475   3.944 -10.823
   30    HE3  LYS   4           3HE      LYS   4  -3.202   4.568 -11.872
   31    HZ1  LYS   4           3HZ      LYS   4  -5.482   2.839 -12.656
   32    HZ2  LYS   4           1HZ      LYS   4  -4.185   3.202 -13.680
   33    HZ3  LYS   4           2HZ      LYS   4  -5.199   4.439 -13.128
   34    H    VAL   5           H        VAL   5   1.880   0.792  -9.592
   35    HA   VAL   5           HA       VAL   5   3.130   2.853 -11.289
   36    HB   VAL   5           HB       VAL   5   4.392   3.630  -9.331
   37   HG11  VAL   5          1HG1      VAL   5   1.403   3.634  -8.925
   38   HG12  VAL   5          2HG1      VAL   5   2.543   4.752  -8.174
   39   HG13  VAL   5          3HG1      VAL   5   2.320   4.760  -9.924
   40   HG21  VAL   5          3HG2      VAL   5   4.559   2.379  -7.504
   41   HG22  VAL   5          1HG2      VAL   5   2.829   2.567  -7.217
   42   HG23  VAL   5          2HG2      VAL   5   3.421   1.216  -8.184
   43    H    ALA   6           H        ALA   6   3.202  -0.123 -11.392
   44    HA   ALA   6           HA       ALA   6   6.033  -0.617 -10.785
   45    HB1  ALA   6           1HB      ALA   6   5.144  -3.031 -11.539
   46    HB2  ALA   6           2HB      ALA   6   5.027  -2.430  -9.884
   47    HB3  ALA   6           3HB      ALA   6   3.633  -2.328 -10.961
   48    H    GLN   7           H        GLN   7   3.651  -1.098 -13.389
   49    HA   GLN   7           HA       GLN   7   5.537  -1.897 -15.336
   50    HB2  GLN   7           2HB      GLN   7   3.223  -2.437 -15.659
   51    HB3  GLN   7           3HB      GLN   7   2.759  -0.743 -15.582
   52    HG2  GLN   7           2HG      GLN   7   2.732  -1.649 -17.867
   53    HG3  GLN   7           3HG      GLN   7   3.842  -0.293 -17.675
   54   HE21  GLN   7          1HE2      GLN   7   5.265  -0.744 -19.259
   55   HE22  GLN   7          2HE2      GLN   7   6.240  -2.169 -19.320
   56    H    GLU   8           H        GLU   8   4.519   1.203 -14.164
   57    HA   GLU   8           HA       GLU   8   5.382   2.752 -16.384
   58    HB2  GLU   8           2HB      GLU   8   4.863   3.433 -13.493
   59    HB3  GLU   8           3HB      GLU   8   5.374   4.635 -14.670
   60    HG2  GLU   8           2HG      GLU   8   3.380   4.075 -16.031
   61    HG3  GLU   8           3HG      GLU   8   2.852   2.998 -14.740
   62    H    LYS   9           H        LYS   9   7.254   4.024 -16.606
   63    HA   LYS   9           HA       LYS   9   9.495   4.409 -16.578
   64    HB2  LYS   9           2HB      LYS   9   9.170   3.704 -13.656
   65    HB3  LYS   9           3HB      LYS   9  10.604   4.442 -14.357
   66    HG2  LYS   9           2HG      LYS   9   7.934   5.749 -14.659
   67    HG3  LYS   9           3HG      LYS   9   8.862   5.931 -13.169
   68    HD2  LYS   9           2HD      LYS   9  10.807   6.614 -14.700
   69    HD3  LYS   9           3HD      LYS   9   9.577   6.808 -15.950
   70    HE2  LYS   9           2HE      LYS   9   8.607   8.604 -14.908
   71    HE3  LYS   9           3HE      LYS   9   9.124   8.090 -13.303
   72    HZ1  LYS   9           3HZ      LYS   9  11.464   8.615 -14.186
   73    HZ2  LYS   9           1HZ      LYS   9  10.464   9.902 -13.734
   74    HZ3  LYS   9           2HZ      LYS   9  10.663   9.519 -15.369
   75    H    GLY  10           H        GLY  10   8.453   1.687 -17.102
   76    HA2  GLY  10           2HA      GLY  10   9.418  -0.311 -17.721
   77    HA3  GLY  10           3HA      GLY  10  10.972   0.351 -17.237
   78    H    PHE  11           H        PHE  11  11.097  -2.032 -16.592
   79    HA   PHE  11           HA       PHE  11   9.726  -2.727 -14.146
   80    HB2  PHE  11           2HB      PHE  11  10.124  -4.514 -15.697
   81    HB3  PHE  11           3HB      PHE  11  11.842  -4.136 -15.778
   82    HD1  PHE  11           HD1      PHE  11   9.182  -5.613 -13.731
   83    HD2  PHE  11           HD2      PHE  11  13.359  -4.877 -14.083
   84    HE1  PHE  11           HE1      PHE  11   9.615  -7.219 -11.918
   85    HE2  PHE  11           HE2      PHE  11  13.799  -6.482 -12.272
   86    HZ   PHE  11           HZ       PHE  11  11.925  -7.657 -11.187
   87    H    LEU  12           H        LEU  12  12.889  -1.586 -15.120
   88    HA   LEU  12           HA       LEU  12  14.359  -2.127 -12.824
   89    HB2  LEU  12           2HB      LEU  12  14.503   0.081 -14.849
   90    HB3  LEU  12           3HB      LEU  12  15.623   0.008 -13.490
   91    HG   LEU  12           HG       LEU  12  16.193  -2.347 -14.341
   92   HD11  LEU  12          1HD1      LEU  12  15.902  -2.258 -16.959
   93   HD12  LEU  12          2HD1      LEU  12  14.485  -1.297 -16.536
   94   HD13  LEU  12          3HD1      LEU  12  14.652  -2.940 -15.917
   95   HD21  LEU  12          3HD2      LEU  12  17.671  -0.378 -14.489
   96   HD22  LEU  12          1HD2      LEU  12  16.937   0.032 -16.039
   97   HD23  LEU  12          2HD2      LEU  12  17.850  -1.467 -15.866
   98    H    TYR  13           H        TYR  13  11.884   0.232 -13.389
   99    HA   TYR  13           HA       TYR  13  12.422   2.145 -11.468
  100    HB2  TYR  13           2HB      TYR  13  10.597   2.454 -12.999
  101    HB3  TYR  13           3HB      TYR  13   9.773   1.023 -12.391
  102    HD1  TYR  13           HD2      TYR  13  10.650   4.520 -11.666
  103    HD2  TYR  13           HD1      TYR  13   8.473   1.102 -10.371
  104    HE1  TYR  13           HE2      TYR  13   9.423   5.919 -10.057
  105    HE2  TYR  13           HE1      TYR  13   7.239   2.491  -8.759
  106    HH   TYR  13           HH       TYR  13   7.027   5.704  -8.886
  107    H    ARG  14           H        ARG  14  10.676  -0.925 -11.081
  108    HA   ARG  14           HA       ARG  14  10.013  -0.644  -8.381
  109    HB2  ARG  14           2HB      ARG  14  10.575  -3.134  -9.998
  110    HB3  ARG  14           3HB      ARG  14   9.888  -3.145  -8.380
  111    HG2  ARG  14           2HG      ARG  14   8.015  -1.735  -9.266
  112    HG3  ARG  14           3HG      ARG  14   8.668  -2.012 -10.882
  113    HD2  ARG  14           2HD      ARG  14   7.055  -3.669 -10.683
  114    HD3  ARG  14           3HD      ARG  14   8.543  -4.513 -10.254
  115    HE   ARG  14           HE       ARG  14   7.616  -3.672  -7.863
  116   HH11  ARG  14          1HH1      ARG  14   6.154  -5.414 -10.499
  117   HH12  ARG  14          2HH1      ARG  14   5.065  -6.299  -9.483
  118   HH21  ARG  14          1HH2      ARG  14   6.187  -4.831  -6.514
  119   HH22  ARG  14          2HH2      ARG  14   5.084  -5.965  -7.216
  120    H    LEU  15           H        LEU  15  13.019  -1.435  -9.913
  121    HA   LEU  15           HA       LEU  15  14.238  -2.514  -7.533
  122    HB2  LEU  15           2HB      LEU  15  15.660  -1.568 -10.005
  123    HB3  LEU  15           3HB      LEU  15  16.205  -2.756  -8.822
  124    HG   LEU  15           HG       LEU  15  13.894  -3.165 -10.717
  125   HD11  LEU  15          1HD1      LEU  15  16.724  -4.191 -10.880
  126   HD12  LEU  15          2HD1      LEU  15  15.999  -2.978 -11.935
  127   HD13  LEU  15          3HD1      LEU  15  15.396  -4.635 -11.952
  128   HD21  LEU  15          3HD2      LEU  15  13.918  -5.430  -9.995
  129   HD22  LEU  15          1HD2      LEU  15  13.884  -4.425  -8.546
  130   HD23  LEU  15          2HD2      LEU  15  15.392  -5.183  -9.057
  131    H    THR  16           H        THR  16  13.443  -0.418  -6.420
  132    HA   THR  16           HA       THR  16  15.658   1.525  -6.490
  133    HB   THR  16           HB       THR  16  13.786   3.118  -5.533
  134    HG1  THR  16           HG1      THR  16  11.825   2.529  -6.900
  135   HG21  THR  16          3HG2      THR  16  13.153   3.483  -8.110
  136   HG22  THR  16          1HG2      THR  16  14.559   2.439  -8.312
  137   HG23  THR  16          2HG2      THR  16  14.709   3.961  -7.433
  138    H    SER  17           H        SER  17  15.995   2.682  -4.441
  139    HA   SER  17           HA       SER  17  16.340   0.968  -2.287
  140    HB2  SER  17           2HB      SER  17  17.301   3.374  -2.800
  141    HB3  SER  17           3HB      SER  17  15.962   3.892  -1.776
  142    HG   SER  17           HG       SER  17  17.861   3.515  -0.564
  143    H    ARG  18           H        ARG  18  13.796   3.402  -2.792
  144    HA   ARG  18           HA       ARG  18  12.409   3.108  -0.423
  145    HB2  ARG  18           2HB      ARG  18  11.654   3.918  -3.188
  146    HB3  ARG  18           3HB      ARG  18  10.355   3.586  -2.050
  147    HG2  ARG  18           2HG      ARG  18  10.670   5.854  -1.801
  148    HG3  ARG  18           3HG      ARG  18  11.644   5.194  -0.485
  149    HD2  ARG  18           2HD      ARG  18  13.657   5.459  -1.769
  150    HD3  ARG  18           3HD      ARG  18  12.735   5.936  -3.194
  151    HE   ARG  18           HE       ARG  18  13.491   7.602  -0.995
  152   HH11  ARG  18          1HH1      ARG  18  11.103   7.111  -3.480
  153   HH12  ARG  18          2HH1      ARG  18  10.625   8.776  -3.531
  154   HH21  ARG  18          1HH2      ARG  18  12.871   9.796  -1.054
  155   HH22  ARG  18          2HH2      ARG  18  11.632  10.302  -2.152
  156    H    TYR  19           H        TYR  19  11.768   1.388  -3.482
  157    HA   TYR  19           HA       TYR  19   9.745  -0.275  -2.563
  158    HB2  TYR  19           2HB      TYR  19  10.181  -0.135  -4.914
  159    HB3  TYR  19           3HB      TYR  19  11.828  -0.719  -4.704
  160    HD1  TYR  19           HD2      TYR  19   8.278  -1.685  -4.728
  161    HD2  TYR  19           HD1      TYR  19  12.295  -3.066  -4.491
  162    HE1  TYR  19           HE2      TYR  19   7.504  -3.986  -5.117
  163    HE2  TYR  19           HE1      TYR  19  11.532  -5.371  -4.881
  164    HH   TYR  19           HH       TYR  19   9.595  -6.717  -4.749
  165    H    ARG  20           H        ARG  20  13.252  -0.760  -2.512
  166    HA   ARG  20           HA       ARG  20  13.207  -3.390  -1.494
  167    HB2  ARG  20           2HB      ARG  20  15.286  -1.213  -1.496
  168    HB3  ARG  20           3HB      ARG  20  15.581  -2.762  -0.716
  169    HG2  ARG  20           2HG      ARG  20  15.701  -3.894  -2.690
  170    HG3  ARG  20           3HG      ARG  20  14.619  -2.777  -3.523
  171    HD2  ARG  20           2HD      ARG  20  16.720  -2.362  -4.464
  172    HD3  ARG  20           3HD      ARG  20  16.500  -1.064  -3.292
  173    HE   ARG  20           HE       ARG  20  17.827  -3.090  -1.965
  174   HH11  ARG  20          1HH1      ARG  20  18.394  -1.042  -4.722
  175   HH12  ARG  20          2HH1      ARG  20  20.116  -1.046  -4.535
  176   HH21  ARG  20          1HH2      ARG  20  20.093  -3.104  -1.708
  177   HH22  ARG  20          2HH2      ARG  20  21.082  -2.221  -2.821
  178    H    HIS  21           H        HIS  21  13.056  -0.243   0.035
  179    HA   HIS  21           HA       HIS  21  13.559  -1.124   2.687
  180    HB2  HIS  21           2HB      HIS  21  12.411   1.354   1.459
  181    HB3  HIS  21           3HB      HIS  21  12.253   1.101   3.195
  182    HD1  HIS  21           HD1      HIS  21  14.972   0.017   3.933
  183    HD2  HIS  21           HD2      HIS  21  14.435   3.137   1.242
  184    HE1  HIS  21           HE1      HIS  21  17.150   1.275   3.918
  185    H    TYR  22           H        TYR  22  10.501  -0.066   1.177
  186    HA   TYR  22           HA       TYR  22   8.820  -0.897   3.236
  187    HB2  TYR  22           2HB      TYR  22   8.119  -0.846   0.296
  188    HB3  TYR  22           3HB      TYR  22   7.007  -0.702   1.652
  189    HD1  TYR  22           HD1      TYR  22   8.124   1.259   3.387
  190    HD2  TYR  22           HD2      TYR  22   8.217   1.143  -0.865
  191    HE1  TYR  22           HE1      TYR  22   8.369   3.706   3.331
  192    HE2  TYR  22           HE2      TYR  22   8.463   3.589  -0.933
  193    HH   TYR  22           HH       TYR  22   7.741   5.560   0.874
  194    H    ALA  23           H        ALA  23  10.351  -2.709   0.704
  195    HA   ALA  23           HA       ALA  23   8.668  -5.030   0.982
  196    HB1  ALA  23           1HB      ALA  23  11.180  -4.437  -0.542
  197    HB2  ALA  23           2HB      ALA  23  10.548  -6.080  -0.423
  198    HB3  ALA  23           3HB      ALA  23   9.568  -4.810  -1.155
  199    H    ALA  24           H        ALA  24  11.410  -3.761   2.589
  200    HA   ALA  24           HA       ALA  24  12.324  -6.319   3.602
  201    HB1  ALA  24           1HB      ALA  24  14.121  -5.183   4.536
  202    HB2  ALA  24           2HB      ALA  24  13.777  -4.254   3.076
  203    HB3  ALA  24           3HB      ALA  24  13.231  -3.663   4.646
  204    H    PHE  25           H        PHE  25  10.073  -3.893   4.481
  205    HA   PHE  25           HA       PHE  25   9.915  -4.957   7.221
  206    HB2  PHE  25           2HB      PHE  25   8.822  -2.340   6.170
  207    HB3  PHE  25           3HB      PHE  25   8.809  -2.879   7.845
  208    HD1  PHE  25           HD1      PHE  25  11.098  -3.332   8.935
  209    HD2  PHE  25           HD2      PHE  25  10.575  -1.057   5.376
  210    HE1  PHE  25           HE1      PHE  25  13.289  -2.271   9.295
  211    HE2  PHE  25           HE2      PHE  25  12.765   0.007   5.730
  212    HZ   PHE  25           HZ       PHE  25  14.126  -0.600   7.691
  213    H    GLU  26           H        GLU  26   7.774  -3.605   4.705
  214    HA   GLU  26           HA       GLU  26   5.439  -4.831   5.762
  215    HB2  GLU  26           2HB      GLU  26   5.748  -3.928   2.909
  216    HB3  GLU  26           3HB      GLU  26   4.297  -3.941   3.900
  217    HG2  GLU  26           2HG      GLU  26   6.609  -2.046   3.981
  218    HG3  GLU  26           3HG      GLU  26   4.893  -1.698   3.781
  219    H    ARG  27           H        ARG  27   7.652  -5.656   3.128
  220    HA   ARG  27           HA       ARG  27   6.244  -8.217   2.801
  221    HB2  ARG  27           2HB      ARG  27   8.342  -7.152   0.927
  222    HB3  ARG  27           3HB      ARG  27   7.090  -8.345   0.609
  223    HG2  ARG  27           2HG      ARG  27   6.715  -5.384   0.991
  224    HG3  ARG  27           3HG      ARG  27   6.526  -6.302  -0.505
  225    HD2  ARG  27           2HD      ARG  27   4.663  -7.537   0.496
  226    HD3  ARG  27           3HD      ARG  27   4.853  -6.614   1.986
  227    HE   ARG  27           HE       ARG  27   4.414  -5.016  -0.378
  228   HH11  ARG  27          1HH1      ARG  27   2.949  -6.708   2.289
  229   HH12  ARG  27          2HH1      ARG  27   1.485  -5.783   2.241
  230   HH21  ARG  27          1HH2      ARG  27   2.491  -3.791  -0.451
  231   HH22  ARG  27          2HH2      ARG  27   1.225  -4.125   0.681
  232    H    ALA  28           H        ALA  28   8.152  -7.548   4.953
  233    HA   ALA  28           HA       ALA  28  10.695  -8.562   4.601
  234    HB1  ALA  28           1HB      ALA  28   9.882  -7.448   6.650
  235    HB2  ALA  28           2HB      ALA  28   8.987  -8.912   7.062
  236    HB3  ALA  28           3HB      ALA  28  10.749  -8.948   6.983
  237    H    THR  29           H        THR  29   8.146 -10.452   6.217
  238    HA   THR  29           HA       THR  29   9.406 -12.927   5.861
  239    HB   THR  29           HB       THR  29   7.541 -12.413   7.489
  240    HG1  THR  29           HG1      THR  29   7.801 -14.522   7.527
  241   HG21  THR  29          3HG2      THR  29   6.038 -11.390   5.762
  242   HG22  THR  29          1HG2      THR  29   5.264 -12.609   6.774
  243   HG23  THR  29          2HG2      THR  29   5.758 -13.012   5.130
  244    H    PHE  30           H        PHE  30   7.218 -11.127   3.809
  245    HA   PHE  30           HA       PHE  30   7.624 -13.137   1.709
  246    HB2  PHE  30           2HB      PHE  30   5.387 -13.332   1.181
  247    HB3  PHE  30           3HB      PHE  30   5.285 -13.139   2.928
  248    HD1  PHE  30           HD2      PHE  30   5.471 -10.382   3.467
  249    HD2  PHE  30           HD1      PHE  30   3.648 -12.288   0.126
  250    HE1  PHE  30           HE2      PHE  30   3.997  -8.436   3.166
  251    HE2  PHE  30           HE1      PHE  30   2.172 -10.343  -0.182
  252    HZ   PHE  30           HZ       PHE  30   2.344  -8.415   1.340
  Start of MODEL   14
    1    H1   TYR   1           H        TYR   1   2.377  -5.317  -3.326
    2    HA   TYR   1           HA       TYR   1   0.686  -3.497  -3.645
    3    HB2  TYR   1           2HB      TYR   1   2.030  -1.713  -2.396
    4    HB3  TYR   1           3HB      TYR   1   1.875  -3.285  -1.620
    5    HD1  TYR   1           HD2      TYR   1   4.168  -0.967  -3.290
    6    HD2  TYR   1           HD1      TYR   1   3.795  -4.747  -1.373
    7    HE1  TYR   1           HE2      TYR   1   6.617  -1.112  -3.111
    8    HE2  TYR   1           HE1      TYR   1   6.242  -4.902  -1.188
    9    HH   TYR   1           HH       TYR   1   8.332  -2.233  -2.190
   10    H    ALA   2           H        ALA   2   2.135  -3.893  -6.197
   11    HA   ALA   2           HA       ALA   2   2.304  -1.064  -7.007
   12    HB1  ALA   2           1HB      ALA   2   3.993  -3.382  -7.918
   13    HB2  ALA   2           2HB      ALA   2   3.916  -1.843  -8.777
   14    HB3  ALA   2           3HB      ALA   2   4.520  -1.899  -7.121
   15    H    GLU   3           H        GLU   3   1.110  -0.456  -8.726
   16    HA   GLU   3           HA       GLU   3  -0.146  -2.551 -10.362
   17    HB2  GLU   3           2HB      GLU   3  -1.481  -0.294  -8.900
   18    HB3  GLU   3           3HB      GLU   3  -2.193  -0.951 -10.367
   19    HG2  GLU   3           2HG      GLU   3  -2.247  -3.173  -9.331
   20    HG3  GLU   3           3HG      GLU   3  -1.578  -2.485  -7.852
   21    H    LYS   4           H        LYS   4   0.054   1.005 -10.117
   22    HA   LYS   4           HA       LYS   4   0.537   1.087 -13.020
   23    HB2  LYS   4           2HB      LYS   4  -1.488   2.283 -12.007
   24    HB3  LYS   4           3HB      LYS   4  -0.333   3.415 -11.316
   25    HG2  LYS   4           2HG      LYS   4  -0.921   4.497 -13.246
   26    HG3  LYS   4           3HG      LYS   4   0.511   3.612 -13.778
   27    HD2  LYS   4           2HD      LYS   4  -0.964   3.122 -15.474
   28    HD3  LYS   4           3HD      LYS   4  -1.236   1.757 -14.388
   29    HE2  LYS   4           2HE      LYS   4  -3.164   2.936 -13.420
   30    HE3  LYS   4           3HE      LYS   4  -2.899   4.270 -14.541
   31    HZ1  LYS   4           3HZ      LYS   4  -3.967   3.185 -16.137
   32    HZ2  LYS   4           1HZ      LYS   4  -4.446   2.049 -14.978
   33    HZ3  LYS   4           2HZ      LYS   4  -3.059   1.777 -15.906
   34    H    VAL   5           H        VAL   5   1.805   1.916  -9.904
   35    HA   VAL   5           HA       VAL   5   3.644   3.890 -10.478
   36    HB   VAL   5           HB       VAL   5   5.000   3.016  -8.618
   37   HG11  VAL   5          1HG1      VAL   5   2.279   2.642  -7.558
   38   HG12  VAL   5          2HG1      VAL   5   3.544   3.774  -7.073
   39   HG13  VAL   5          3HG1      VAL   5   2.540   4.121  -8.482
   40   HG21  VAL   5          3HG2      VAL   5   5.024   0.724  -8.700
   41   HG22  VAL   5          1HG2      VAL   5   3.830   0.982  -7.428
   42   HG23  VAL   5          2HG2      VAL   5   3.304   0.609  -9.070
   43    H    ALA   6           H        ALA   6   3.789   0.466 -11.198
   44    HA   ALA   6           HA       ALA   6   6.533   0.683 -12.162
   45    HB1  ALA   6           1HB      ALA   6   4.661  -1.634 -11.779
   46    HB2  ALA   6           2HB      ALA   6   6.191  -1.794 -12.642
   47    HB3  ALA   6           3HB      ALA   6   6.181  -1.296 -10.950
   48    H    GLN   7           H        GLN   7   3.281   0.593 -13.350
   49    HA   GLN   7           HA       GLN   7   3.940  -0.143 -16.036
   50    HB2  GLN   7           2HB      GLN   7   1.722  -0.608 -15.278
   51    HB3  GLN   7           3HB      GLN   7   1.472   1.063 -14.790
   52    HG2  GLN   7           2HG      GLN   7   0.331   0.346 -16.911
   53    HG3  GLN   7           3HG      GLN   7   1.321   1.801 -17.018
   54   HE21  GLN   7          1HE2      GLN   7   1.874   1.749 -19.118
   55   HE22  GLN   7          2HE2      GLN   7   2.778   0.478 -19.862
   56    H    GLU   8           H        GLU   8   3.842   2.812 -14.230
   57    HA   GLU   8           HA       GLU   8   3.602   4.625 -16.384
   58    HB2  GLU   8           2HB      GLU   8   4.761   4.900 -13.614
   59    HB3  GLU   8           3HB      GLU   8   4.690   6.243 -14.746
   60    HG2  GLU   8           2HG      GLU   8   2.186   4.746 -14.223
   61    HG3  GLU   8           3HG      GLU   8   2.799   5.803 -12.953
   62    H    LYS   9           H        LYS   9   6.264   2.806 -15.103
   63    HA   LYS   9           HA       LYS   9   8.032   4.061 -17.096
   64    HB2  LYS   9           2HB      LYS   9   8.537   3.419 -14.222
   65    HB3  LYS   9           3HB      LYS   9   9.869   3.287 -15.363
   66    HG2  LYS   9           2HG      LYS   9   8.255   5.779 -15.380
   67    HG3  LYS   9           3HG      LYS   9   9.383   5.516 -14.048
   68    HD2  LYS   9           2HD      LYS   9  11.075   4.954 -15.940
   69    HD3  LYS   9           3HD      LYS   9   9.940   5.826 -16.973
   70    HE2  LYS   9           2HE      LYS   9  10.141   7.797 -15.585
   71    HE3  LYS   9           3HE      LYS   9  11.178   6.930 -14.454
   72    HZ1  LYS   9           3HZ      LYS   9  12.916   7.517 -15.667
   73    HZ2  LYS   9           1HZ      LYS   9  11.917   8.325 -16.768
   74    HZ3  LYS   9           2HZ      LYS   9  12.290   6.693 -17.006
   75    H    GLY  10           H        GLY  10   8.364   1.284 -14.893
   76    HA2  GLY  10           2HA      GLY  10   7.861  -0.790 -16.625
   77    HA3  GLY  10           3HA      GLY  10   9.526  -0.329 -16.951
   78    H    PHE  11           H        PHE  11  10.378  -2.268 -16.205
   79    HA   PHE  11           HA       PHE  11   9.783  -3.221 -13.555
   80    HB2  PHE  11           2HB      PHE  11  10.291  -4.870 -15.222
   81    HB3  PHE  11           3HB      PHE  11  11.808  -4.074 -15.627
   82    HD1  PHE  11           HD2      PHE  11  10.052  -6.015 -13.027
   83    HD2  PHE  11           HD1      PHE  11  13.785  -4.520 -14.422
   84    HE1  PHE  11           HE2      PHE  11  11.225  -7.437 -11.399
   85    HE2  PHE  11           HE1      PHE  11  14.965  -5.941 -12.796
   86    HZ   PHE  11           HZ       PHE  11  13.685  -7.401 -11.281
   87    H    LEU  12           H        LEU  12  12.504  -1.607 -15.145
   88    HA   LEU  12           HA       LEU  12  14.348  -1.649 -13.080
   89    HB2  LEU  12           2HB      LEU  12  13.818   0.477 -15.146
   90    HB3  LEU  12           3HB      LEU  12  15.226   0.467 -14.086
   91    HG   LEU  12           HG       LEU  12  15.522  -1.953 -15.163
   92   HD11  LEU  12          1HD1      LEU  12  14.993  -1.246 -17.726
   93   HD12  LEU  12          2HD1      LEU  12  13.603  -0.557 -16.889
   94   HD13  LEU  12          3HD1      LEU  12  13.958  -2.278 -16.738
   95   HD21  LEU  12          3HD2      LEU  12  16.425   0.125 -17.015
   96   HD22  LEU  12          1HD2      LEU  12  17.354  -1.042 -16.073
   97   HD23  LEU  12          2HD2      LEU  12  16.799   0.454 -15.322
   98    H    TYR  13           H        TYR  13  11.640   0.546 -13.617
   99    HA   TYR  13           HA       TYR  13  12.169   2.496 -11.738
  100    HB2  TYR  13           2HB      TYR  13  10.302   2.751 -13.216
  101    HB3  TYR  13           3HB      TYR  13   9.535   1.293 -12.596
  102    HD1  TYR  13           HD2      TYR  13   8.440   1.302 -10.400
  103    HD2  TYR  13           HD1      TYR  13  10.143   4.843 -12.032
  104    HE1  TYR  13           HE2      TYR  13   7.190   2.650  -8.766
  105    HE2  TYR  13           HE1      TYR  13   8.899   6.201 -10.401
  106    HH   TYR  13           HH       TYR  13   6.782   4.683  -7.983
  107    H    ARG  14           H        ARG  14  10.414  -0.561 -11.245
  108    HA   ARG  14           HA       ARG  14   9.839  -0.262  -8.543
  109    HB2  ARG  14           2HB      ARG  14   9.272  -2.154 -10.340
  110    HB3  ARG  14           3HB      ARG  14  10.594  -2.969  -9.517
  111    HG2  ARG  14           2HG      ARG  14   9.445  -2.882  -7.428
  112    HG3  ARG  14           3HG      ARG  14   8.191  -1.840  -8.105
  113    HD2  ARG  14           2HD      ARG  14   8.636  -4.425  -9.466
  114    HD3  ARG  14           3HD      ARG  14   7.932  -4.501  -7.852
  115    HE   ARG  14           HE       ARG  14   6.509  -2.582  -9.253
  116   HH11  ARG  14          1HH1      ARG  14   7.141  -5.998  -9.481
  117   HH12  ARG  14          2HH1      ARG  14   5.626  -6.360 -10.242
  118   HH21  ARG  14          1HH2      ARG  14   4.512  -3.046 -10.253
  119   HH22  ARG  14          2HH2      ARG  14   4.132  -4.679 -10.681
  120    H    LEU  15           H        LEU  15  12.833  -1.013 -10.118
  121    HA   LEU  15           HA       LEU  15  14.142  -2.083  -7.804
  122    HB2  LEU  15           2HB      LEU  15  15.470  -0.896 -10.226
  123    HB3  LEU  15           3HB      LEU  15  16.118  -2.100  -9.114
  124    HG   LEU  15           HG       LEU  15  13.873  -2.541 -11.083
  125   HD11  LEU  15          1HD1      LEU  15  15.490  -3.990 -12.225
  126   HD12  LEU  15          2HD1      LEU  15  16.737  -3.483 -11.086
  127   HD13  LEU  15          3HD1      LEU  15  16.020  -2.308 -12.188
  128   HD21  LEU  15          3HD2      LEU  15  15.296  -4.557  -9.353
  129   HD22  LEU  15          1HD2      LEU  15  13.911  -4.829 -10.411
  130   HD23  LEU  15          2HD2      LEU  15  13.730  -3.849  -8.955
  131    H    THR  16           H        THR  16  13.351  -0.228  -6.438
  132    HA   THR  16           HA       THR  16  15.358   1.929  -6.478
  133    HB   THR  16           HB       THR  16  13.530   3.341  -5.348
  134    HG1  THR  16           HG1      THR  16  11.456   2.675  -5.606
  135   HG21  THR  16          3HG2      THR  16  14.000   4.200  -7.398
  136   HG22  THR  16          1HG2      THR  16  12.392   3.578  -7.766
  137   HG23  THR  16          2HG2      THR  16  13.821   2.645  -8.211
  138    H    SER  17           H        SER  17  15.757   2.917  -4.360
  139    HA   SER  17           HA       SER  17  16.276   0.980  -2.386
  140    HB2  SER  17           2HB      SER  17  17.318   3.373  -2.835
  141    HB3  SER  17           3HB      SER  17  16.115   3.871  -1.645
  142    HG   SER  17           HG       SER  17  17.989   3.339  -0.561
  143    H    ARG  18           H        ARG  18  13.612   3.195  -2.872
  144    HA   ARG  18           HA       ARG  18  12.467   2.903  -0.284
  145    HB2  ARG  18           2HB      ARG  18  11.580   4.028  -2.900
  146    HB3  ARG  18           3HB      ARG  18  10.351   3.669  -1.694
  147    HG2  ARG  18           2HG      ARG  18  10.985   5.966  -1.496
  148    HG3  ARG  18           3HG      ARG  18  11.581   5.092  -0.084
  149    HD2  ARG  18           2HD      ARG  18  13.802   5.062  -0.942
  150    HD3  ARG  18           3HD      ARG  18  13.266   5.654  -2.514
  151    HE   ARG  18           HE       ARG  18  13.269   7.790  -1.678
  152   HH11  ARG  18          1HH1      ARG  18  13.490   5.518   0.951
  153   HH12  ARG  18          2HH1      ARG  18  13.814   6.731   2.144
  154   HH21  ARG  18          1HH2      ARG  18  13.695   9.397  -0.116
  155   HH22  ARG  18          2HH2      ARG  18  13.930   8.937   1.536
  156    H    TYR  19           H        TYR  19  11.614   1.511  -3.452
  157    HA   TYR  19           HA       TYR  19   9.504  -0.086  -2.668
  158    HB2  TYR  19           2HB      TYR  19   9.998   0.160  -4.998
  159    HB3  TYR  19           3HB      TYR  19  11.600  -0.541  -4.795
  160    HD1  TYR  19           HD2      TYR  19   7.977  -1.349  -4.587
  161    HD2  TYR  19           HD1      TYR  19  11.932  -2.844  -5.065
  162    HE1  TYR  19           HE2      TYR  19   7.067  -3.570  -5.126
  163    HE2  TYR  19           HE1      TYR  19  11.033  -5.068  -5.606
  164    HH   TYR  19           HH       TYR  19   7.600  -5.602  -6.052
  165    H    ARG  20           H        ARG  20  12.932  -1.042  -2.891
  166    HA   ARG  20           HA       ARG  20  12.662  -3.630  -1.909
  167    HB2  ARG  20           2HB      ARG  20  15.001  -1.743  -1.576
  168    HB3  ARG  20           3HB      ARG  20  15.058  -3.485  -1.345
  169    HG2  ARG  20           2HG      ARG  20  14.566  -3.853  -3.678
  170    HG3  ARG  20           3HG      ARG  20  14.365  -2.119  -3.936
  171    HD2  ARG  20           2HD      ARG  20  16.928  -3.156  -2.811
  172    HD3  ARG  20           3HD      ARG  20  16.620  -3.296  -4.541
  173    HE   ARG  20           HE       ARG  20  16.108  -0.658  -3.689
  174   HH11  ARG  20          1HH1      ARG  20  18.740  -2.864  -4.260
  175   HH12  ARG  20          2HH1      ARG  20  19.880  -1.613  -4.631
  176   HH21  ARG  20          1HH2      ARG  20  17.600   0.998  -4.174
  177   HH22  ARG  20          2HH2      ARG  20  19.231   0.583  -4.580
  178    H    HIS  21           H        HIS  21  12.620  -0.587  -0.250
  179    HA   HIS  21           HA       HIS  21  13.070  -1.730   2.363
  180    HB2  HIS  21           2HB      HIS  21  13.543   0.718   1.460
  181    HB3  HIS  21           3HB      HIS  21  11.892   0.990   2.009
  182    HD1  HIS  21           HD1      HIS  21  11.672  -0.247   4.640
  183    HD2  HIS  21           HD2      HIS  21  15.226   1.513   3.403
  184    HE1  HIS  21           HE1      HIS  21  12.930   0.282   6.752
  185    H    TYR  22           H        TYR  22  10.373  -1.019   0.314
  186    HA   TYR  22           HA       TYR  22   8.391  -1.027   2.382
  187    HB2  TYR  22           2HB      TYR  22   8.363  -1.009  -0.605
  188    HB3  TYR  22           3HB      TYR  22   6.893  -1.472   0.246
  189    HD1  TYR  22           HD1      TYR  22   6.066   0.173   2.084
  190    HD2  TYR  22           HD2      TYR  22   8.804   1.239  -0.993
  191    HE1  TYR  22           HE1      TYR  22   5.504   2.544   2.413
  192    HE2  TYR  22           HE2      TYR  22   8.250   3.613  -0.672
  193    HH   TYR  22           HH       TYR  22   5.962   4.845   0.356
  194    H    ALA  23           H        ALA  23   9.261  -3.349  -0.180
  195    HA   ALA  23           HA       ALA  23   7.541  -5.402   0.643
  196    HB1  ALA  23           1HB      ALA  23   8.403  -6.548  -1.080
  197    HB2  ALA  23           2HB      ALA  23   9.227  -5.035  -1.460
  198    HB3  ALA  23           3HB      ALA  23  10.065  -6.292  -0.550
  199    H    ALA  24           H        ALA  24  10.698  -4.439   1.773
  200    HA   ALA  24           HA       ALA  24  11.227  -6.847   3.234
  201    HB1  ALA  24           1HB      ALA  24  12.522  -4.211   3.823
  202    HB2  ALA  24           2HB      ALA  24  13.200  -5.835   3.935
  203    HB3  ALA  24           3HB      ALA  24  12.913  -5.107   2.355
  204    H    PHE  25           H        PHE  25   9.047  -4.399   3.707
  205    HA   PHE  25           HA       PHE  25   8.944  -4.946   6.598
  206    HB2  PHE  25           2HB      PHE  25   8.709  -2.318   5.161
  207    HB3  PHE  25           3HB      PHE  25   7.922  -2.558   6.718
  208    HD1  PHE  25           HD1      PHE  25  11.256  -3.171   5.152
  209    HD2  PHE  25           HD2      PHE  25   9.077  -1.870   8.569
  210    HE1  PHE  25           HE1      PHE  25  13.370  -2.644   6.295
  211    HE2  PHE  25           HE2      PHE  25  11.187  -1.340   9.717
  212    HZ   PHE  25           HZ       PHE  25  13.338  -1.726   8.580
  213    H    GLU  26           H        GLU  26   7.454  -5.378   3.731
  214    HA   GLU  26           HA       GLU  26   4.782  -5.413   4.974
  215    HB2  GLU  26           2HB      GLU  26   5.677  -4.324   2.382
  216    HB3  GLU  26           3HB      GLU  26   4.211  -5.292   2.318
  217    HG2  GLU  26           2HG      GLU  26   4.504  -3.105   4.334
  218    HG3  GLU  26           3HG      GLU  26   4.025  -2.749   2.676
  219    H    ARG  27           H        ARG  27   7.040  -6.956   2.766
  220    HA   ARG  27           HA       ARG  27   5.595  -9.479   3.146
  221    HB2  ARG  27           2HB      ARG  27   5.784 -10.066   0.814
  222    HB3  ARG  27           3HB      ARG  27   4.955  -8.521   0.945
  223    HG2  ARG  27           2HG      ARG  27   6.484  -7.505  -0.298
  224    HG3  ARG  27           3HG      ARG  27   7.804  -8.157   0.676
  225    HD2  ARG  27           2HD      ARG  27   7.455 -10.334  -0.588
  226    HD3  ARG  27           3HD      ARG  27   6.436  -9.409  -1.690
  227    HE   ARG  27           HE       ARG  27   8.325  -8.538  -2.627
  228   HH11  ARG  27          1HH1      ARG  27   9.122  -9.833   0.504
  229   HH12  ARG  27          2HH1      ARG  27  10.827  -9.581   0.319
  230   HH21  ARG  27          1HH2      ARG  27  10.567  -8.201  -2.883
  231   HH22  ARG  27          2HH2      ARG  27  11.647  -8.652  -1.607
  232    H    ALA  28           H        ALA  28   7.976  -8.444   4.392
  233    HA   ALA  28           HA       ALA  28  10.278  -9.632   3.183
  234    HB1  ALA  28           1HB      ALA  28  10.706  -9.266   5.960
  235    HB2  ALA  28           2HB      ALA  28  11.293  -8.281   4.619
  236    HB3  ALA  28           3HB      ALA  28   9.746  -7.906   5.377
  237    H    THR  29           H        THR  29   8.905 -10.365   6.386
  238    HA   THR  29           HA       THR  29   9.659 -13.174   5.976
  239    HB   THR  29           HB       THR  29  10.531 -11.859   7.988
  240    HG1  THR  29           HG1      THR  29  10.644 -13.744   9.030
  241   HG21  THR  29          3HG2      THR  29   8.283 -10.830   8.482
  242   HG22  THR  29          1HG2      THR  29   9.095 -11.559   9.867
  243   HG23  THR  29          2HG2      THR  29   7.772 -12.412   9.071
  244    H    PHE  30           H        PHE  30   6.965 -11.058   6.568
  245    HA   PHE  30           HA       PHE  30   5.174 -13.381   6.803
  246    HB2  PHE  30           2HB      PHE  30   3.513 -11.485   7.504
  247    HB3  PHE  30           3HB      PHE  30   4.706 -12.071   8.659
  248    HD1  PHE  30           HD2      PHE  30   4.828  -9.621   5.845
  249    HD2  PHE  30           HD1      PHE  30   5.456 -10.365   9.989
  250    HE1  PHE  30           HE2      PHE  30   5.676  -7.328   6.125
  251    HE2  PHE  30           HE1      PHE  30   6.304  -8.073  10.276
  252    HZ   PHE  30           HZ       PHE  30   6.416  -6.552   8.342
  Start of MODEL   15
    1    H1   TYR   1           H        TYR   1   0.548  -5.665  -4.407
    2    HA   TYR   1           HA       TYR   1   1.314  -3.208  -2.979
    3    HB2  TYR   1           2HB      TYR   1   3.245  -4.755  -3.777
    4    HB3  TYR   1           3HB      TYR   1   2.841  -4.162  -5.384
    5    HD1  TYR   1           HD2      TYR   1   3.501  -2.810  -1.959
    6    HD2  TYR   1           HD1      TYR   1   3.997  -2.324  -6.157
    7    HE1  TYR   1           HE2      TYR   1   4.875  -0.809  -1.560
    8    HE2  TYR   1           HE1      TYR   1   5.373  -0.323  -5.769
    9    HH   TYR   1           HH       TYR   1   5.427   1.458  -3.486
   10    H    ALA   2           H        ALA   2   1.510  -1.314  -4.480
   11    HA   ALA   2           HA       ALA   2  -0.862  -1.163  -6.103
   12    HB1  ALA   2           1HB      ALA   2   0.446   0.648  -4.582
   13    HB2  ALA   2           2HB      ALA   2   1.033   1.085  -6.187
   14    HB3  ALA   2           3HB      ALA   2  -0.699   1.068  -5.856
   15    H    GLU   3           H        GLU   3  -0.846  -2.001  -8.087
   16    HA   GLU   3           HA       GLU   3   1.433  -2.498  -9.639
   17    HB2  GLU   3           2HB      GLU   3  -1.502  -2.377 -10.231
   18    HB3  GLU   3           3HB      GLU   3  -0.354  -2.555 -11.549
   19    HG2  GLU   3           2HG      GLU   3  -0.984  -4.732 -11.030
   20    HG3  GLU   3           3HG      GLU   3   0.582  -4.532 -10.245
   21    H    LYS   4           H        LYS   4  -0.638   0.305  -9.388
   22    HA   LYS   4           HA       LYS   4  -0.040   1.670 -11.713
   23    HB2  LYS   4           2HB      LYS   4  -0.608   2.628  -8.918
   24    HB3  LYS   4           3HB      LYS   4  -0.318   3.761 -10.231
   25    HG2  LYS   4           2HG      LYS   4  -2.258   3.149 -11.355
   26    HG3  LYS   4           3HG      LYS   4  -2.394   1.620 -10.485
   27    HD2  LYS   4           2HD      LYS   4  -4.054   2.985  -9.547
   28    HD3  LYS   4           3HD      LYS   4  -2.724   3.048  -8.389
   29    HE2  LYS   4           2HE      LYS   4  -2.847   5.101 -10.543
   30    HE3  LYS   4           3HE      LYS   4  -3.962   5.237  -9.184
   31    HZ1  LYS   4           3HZ      LYS   4  -1.676   4.802  -7.902
   32    HZ2  LYS   4           1HZ      LYS   4  -2.247   6.349  -8.280
   33    HZ3  LYS   4           2HZ      LYS   4  -1.085   5.613  -9.263
   34    H    VAL   5           H        VAL   5   1.928   1.175  -8.874
   35    HA   VAL   5           HA       VAL   5   4.083   2.736 -10.145
   36    HB   VAL   5           HB       VAL   5   3.799   2.217  -7.185
   37   HG11  VAL   5          1HG1      VAL   5   6.059   2.605  -7.651
   38   HG12  VAL   5          2HG1      VAL   5   5.692   3.836  -8.861
   39   HG13  VAL   5          3HG1      VAL   5   5.443   4.178  -7.148
   40   HG21  VAL   5          3HG2      VAL   5   3.430   4.882  -7.448
   41   HG22  VAL   5          1HG2      VAL   5   2.635   4.299  -8.910
   42   HG23  VAL   5          2HG2      VAL   5   2.116   3.712  -7.331
   43    H    ALA   6           H        ALA   6   4.546   0.704 -11.286
   44    HA   ALA   6           HA       ALA   6   6.509  -0.838  -9.812
   45    HB1  ALA   6           1HB      ALA   6   5.203  -2.894 -11.072
   46    HB2  ALA   6           2HB      ALA   6   5.094  -2.506  -9.354
   47    HB3  ALA   6           3HB      ALA   6   3.874  -1.900 -10.474
   48    H    GLN   7           H        GLN   7   4.729  -1.488 -12.821
   49    HA   GLN   7           HA       GLN   7   7.290  -1.343 -14.259
   50    HB2  GLN   7           2HB      GLN   7   6.430  -2.894 -15.833
   51    HB3  GLN   7           3HB      GLN   7   5.999  -3.519 -14.246
   52    HG2  GLN   7           2HG      GLN   7   3.738  -2.633 -14.510
   53    HG3  GLN   7           3HG      GLN   7   4.170  -2.011 -16.102
   54   HE21  GLN   7          1HE2      GLN   7   4.726  -3.543 -17.752
   55   HE22  GLN   7          2HE2      GLN   7   4.059  -5.136 -17.710
   56    H    GLU   8           H        GLU   8   4.281   0.181 -13.870
   57    HA   GLU   8           HA       GLU   8   3.666   1.180 -16.366
   58    HB2  GLU   8           2HB      GLU   8   3.330   2.247 -13.592
   59    HB3  GLU   8           3HB      GLU   8   2.933   3.277 -14.960
   60    HG2  GLU   8           2HG      GLU   8   1.531   1.232 -15.744
   61    HG3  GLU   8           3HG      GLU   8   1.632   0.755 -14.050
   62    H    LYS   9           H        LYS   9   6.253   2.081 -14.214
   63    HA   LYS   9           HA       LYS   9   6.996   4.322 -15.955
   64    HB2  LYS   9           2HB      LYS   9   6.865   4.413 -13.341
   65    HB3  LYS   9           3HB      LYS   9   8.438   3.630 -13.421
   66    HG2  LYS   9           2HG      LYS   9   9.477   5.481 -14.206
   67    HG3  LYS   9           3HG      LYS   9   8.057   6.038 -15.094
   68    HD2  LYS   9           2HD      LYS   9   7.137   6.300 -12.592
   69    HD3  LYS   9           3HD      LYS   9   8.861   6.524 -12.286
   70    HE2  LYS   9           2HE      LYS   9   8.107   8.684 -12.698
   71    HE3  LYS   9           3HE      LYS   9   8.768   8.185 -14.254
   72    HZ1  LYS   9           3HZ      LYS   9   6.027   7.477 -14.040
   73    HZ2  LYS   9           1HZ      LYS   9   6.794   8.441 -15.199
   74    HZ3  LYS   9           2HZ      LYS   9   6.232   9.133 -13.762
   75    H    GLY  10           H        GLY  10   8.038   1.167 -14.875
   76    HA2  GLY  10           2HA      GLY  10   9.471   0.287 -16.910
   77    HA3  GLY  10           3HA      GLY  10  10.609   1.444 -16.237
   78    H    PHE  11           H        PHE  11  11.462  -1.073 -16.391
   79    HA   PHE  11           HA       PHE  11  10.865  -2.623 -14.062
   80    HB2  PHE  11           2HB      PHE  11  11.623  -3.689 -16.133
   81    HB3  PHE  11           3HB      PHE  11  13.160  -2.838 -16.021
   82    HD1  PHE  11           HD1      PHE  11  11.016  -5.074 -13.940
   83    HD2  PHE  11           HD2      PHE  11  14.946  -3.990 -15.165
   84    HE1  PHE  11           HE1      PHE  11  11.939  -6.927 -12.610
   85    HE2  PHE  11           HE2      PHE  11  15.874  -5.842 -13.838
   86    HZ   PHE  11           HZ       PHE  11  14.371  -7.314 -12.558
   87    H    LEU  12           H        LEU  12  13.820  -0.913 -15.100
   88    HA   LEU  12           HA       LEU  12  15.296  -1.206 -12.787
   89    HB2  LEU  12           2HB      LEU  12  15.275   1.286 -14.475
   90    HB3  LEU  12           3HB      LEU  12  16.605   0.658 -13.503
   91    HG   LEU  12           HG       LEU  12  15.521  -0.499 -16.068
   92   HD11  LEU  12          1HD1      LEU  12  18.310   0.446 -15.496
   93   HD12  LEU  12          2HD1      LEU  12  17.057   1.541 -16.081
   94   HD13  LEU  12          3HD1      LEU  12  17.538   0.151 -17.054
   95   HD21  LEU  12          3HD2      LEU  12  16.112  -2.296 -14.535
   96   HD22  LEU  12          1HD2      LEU  12  17.686  -1.554 -14.251
   97   HD23  LEU  12          2HD2      LEU  12  17.284  -2.184 -15.849
   98    H    TYR  13           H        TYR  13  12.737   1.088 -13.502
   99    HA   TYR  13           HA       TYR  13  13.067   2.923 -11.465
  100    HB2  TYR  13           2HB      TYR  13  11.389   3.307 -13.123
  101    HB3  TYR  13           3HB      TYR  13  10.547   1.818 -12.709
  102    HD1  TYR  13           HD1      TYR  13  11.439   5.176 -11.394
  103    HD2  TYR  13           HD2      TYR  13   8.844   1.818 -11.094
  104    HE1  TYR  13           HE1      TYR  13  10.010   6.428  -9.833
  105    HE2  TYR  13           HE2      TYR  13   7.407   3.061  -9.533
  106    HH   TYR  13           HH       TYR  13   7.772   6.436  -8.987
  107    H    ARG  14           H        ARG  14  11.087  -0.043 -11.354
  108    HA   ARG  14           HA       ARG  14  10.267   0.097  -8.722
  109    HB2  ARG  14           2HB      ARG  14   9.944  -1.703 -10.728
  110    HB3  ARG  14           3HB      ARG  14  11.014  -2.601  -9.659
  111    HG2  ARG  14           2HG      ARG  14   9.453  -2.768  -8.004
  112    HG3  ARG  14           3HG      ARG  14   8.636  -1.276  -8.473
  113    HD2  ARG  14           2HD      ARG  14   7.109  -2.858  -9.152
  114    HD3  ARG  14           3HD      ARG  14   8.041  -2.619 -10.630
  115    HE   ARG  14           HE       ARG  14   9.011  -4.747  -8.947
  116   HH11  ARG  14          1HH1      ARG  14   6.839  -3.870 -11.522
  117   HH12  ARG  14          2HH1      ARG  14   6.741  -5.477 -12.162
  118   HH21  ARG  14          1HH2      ARG  14   8.890  -6.867  -9.780
  119   HH22  ARG  14          2HH2      ARG  14   7.907  -7.181 -11.170
  120    H    LEU  15           H        LEU  15  13.373  -0.816 -10.017
  121    HA   LEU  15           HA       LEU  15  14.358  -1.963  -7.579
  122    HB2  LEU  15           2HB      LEU  15  16.035  -0.918  -9.840
  123    HB3  LEU  15           3HB      LEU  15  16.425  -2.194  -8.688
  124    HG   LEU  15           HG       LEU  15  14.342  -2.395 -10.862
  125   HD11  LEU  15          1HD1      LEU  15  15.876  -3.746 -12.066
  126   HD12  LEU  15          2HD1      LEU  15  17.028  -3.744 -10.732
  127   HD13  LEU  15          3HD1      LEU  15  16.727  -2.261 -11.637
  128   HD21  LEU  15          3HD2      LEU  15  13.913  -3.755  -8.832
  129   HD22  LEU  15          1HD2      LEU  15  15.482  -4.528  -9.062
  130   HD23  LEU  15          2HD2      LEU  15  14.217  -4.723 -10.276
  131    H    THR  16           H        THR  16  13.557   0.006  -6.349
  132    HA   THR  16           HA       THR  16  15.762   1.949  -6.155
  133    HB   THR  16           HB       THR  16  13.954   3.587  -5.338
  134    HG1  THR  16           HG1      THR  16  11.887   3.105  -6.415
  135   HG21  THR  16          3HG2      THR  16  14.920   4.223  -7.330
  136   HG22  THR  16          1HG2      THR  16  13.250   3.982  -7.838
  137   HG23  THR  16          2HG2      THR  16  14.456   2.735  -8.155
  138    H    SER  17           H        SER  17  16.022   2.919  -4.032
  139    HA   SER  17           HA       SER  17  16.090   1.065  -1.964
  140    HB2  SER  17           2HB      SER  17  17.246   3.430  -2.279
  141    HB3  SER  17           3HB      SER  17  15.891   3.969  -1.288
  142    HG   SER  17           HG       SER  17  17.711   1.897  -0.610
  143    H    ARG  18           H        ARG  18  13.709   3.598  -2.645
  144    HA   ARG  18           HA       ARG  18  12.148   3.324  -0.349
  145    HB2  ARG  18           2HB      ARG  18  11.633   4.309  -3.124
  146    HB3  ARG  18           3HB      ARG  18  10.268   4.081  -2.039
  147    HG2  ARG  18           2HG      ARG  18  10.838   6.316  -1.767
  148    HG3  ARG  18           3HG      ARG  18  11.587   5.518  -0.382
  149    HD2  ARG  18           2HD      ARG  18  13.133   7.102  -1.365
  150    HD3  ARG  18           3HD      ARG  18  13.723   5.457  -1.596
  151    HE   ARG  18           HE       ARG  18  12.250   6.163  -3.856
  152   HH11  ARG  18          1HH1      ARG  18  15.189   7.091  -2.236
  153   HH12  ARG  18          2HH1      ARG  18  15.982   7.603  -3.689
  154   HH21  ARG  18          1HH2      ARG  18  13.283   6.834  -5.775
  155   HH22  ARG  18          2HH2      ARG  18  14.896   7.458  -5.701
  156    H    TYR  19           H        TYR  19  11.518   1.914  -3.569
  157    HA   TYR  19           HA       TYR  19   9.376   0.303  -2.816
  158    HB2  TYR  19           2HB      TYR  19   9.805   0.673  -5.142
  159    HB3  TYR  19           3HB      TYR  19  11.416  -0.027  -5.019
  160    HD1  TYR  19           HD2      TYR  19   7.814  -0.774  -5.101
  161    HD2  TYR  19           HD1      TYR  19  11.744  -2.405  -5.075
  162    HE1  TYR  19           HE2      TYR  19   6.901  -2.969  -5.731
  163    HE2  TYR  19           HE1      TYR  19  10.842  -4.604  -5.706
  164    HH   TYR  19           HH       TYR  19   8.070  -5.636  -5.319
  165    H    ARG  20           H        ARG  20  12.807  -0.603  -3.156
  166    HA   ARG  20           HA       ARG  20  12.590  -3.247  -2.330
  167    HB2  ARG  20           2HB      ARG  20  14.858  -1.274  -2.071
  168    HB3  ARG  20           3HB      ARG  20  15.015  -2.969  -1.628
  169    HG2  ARG  20           2HG      ARG  20  14.059  -3.290  -4.089
  170    HG3  ARG  20           3HG      ARG  20  14.821  -1.712  -4.298
  171    HD2  ARG  20           2HD      ARG  20  16.358  -3.518  -4.873
  172    HD3  ARG  20           3HD      ARG  20  16.932  -2.614  -3.473
  173    HE   ARG  20           HE       ARG  20  15.397  -4.919  -2.750
  174   HH11  ARG  20          1HH1      ARG  20  18.554  -3.806  -3.705
  175   HH12  ARG  20          2HH1      ARG  20  19.390  -5.122  -2.948
  176   HH21  ARG  20          1HH2      ARG  20  16.485  -6.655  -1.750
  177   HH22  ARG  20          2HH2      ARG  20  18.212  -6.742  -1.837
  178    H    HIS  21           H        HIS  21  12.491  -0.319  -0.484
  179    HA   HIS  21           HA       HIS  21  12.913  -1.682   2.047
  180    HB2  HIS  21           2HB      HIS  21  12.552   1.166   1.203
  181    HB3  HIS  21           3HB      HIS  21  12.246   0.726   2.881
  182    HD1  HIS  21           HD1      HIS  21  14.950  -1.177   1.270
  183    HD2  HIS  21           HD2      HIS  21  14.565   2.322   3.476
  184    HE1  HIS  21           HE1      HIS  21  17.279  -0.594   2.017
  185    H    TYR  22           H        TYR  22  10.300  -0.609   0.046
  186    HA   TYR  22           HA       TYR  22   8.299  -0.619   2.094
  187    HB2  TYR  22           2HB      TYR  22   8.229  -0.514  -0.910
  188    HB3  TYR  22           3HB      TYR  22   6.748  -0.702   0.022
  189    HD1  TYR  22           HD2      TYR  22   7.056   1.048   2.275
  190    HD2  TYR  22           HD1      TYR  22   8.324   1.638  -1.743
  191    HE1  TYR  22           HE2      TYR  22   6.949   3.483   2.605
  192    HE2  TYR  22           HE1      TYR  22   8.222   4.074  -1.424
  193    HH   TYR  22           HH       TYR  22   6.647   5.533   1.104
  194    H    ALA  23           H        ALA  23   8.979  -2.805  -0.642
  195    HA   ALA  23           HA       ALA  23   7.117  -4.778   0.053
  196    HB1  ALA  23           1HB      ALA  23   9.470  -5.880  -1.222
  197    HB2  ALA  23           2HB      ALA  23   7.820  -5.733  -1.830
  198    HB3  ALA  23           3HB      ALA  23   8.944  -4.385  -1.996
  199    H    ALA  24           H        ALA  24  10.344  -4.139   1.211
  200    HA   ALA  24           HA       ALA  24  10.676  -6.688   2.494
  201    HB1  ALA  24           1HB      ALA  24  12.512  -5.090   1.670
  202    HB2  ALA  24           2HB      ALA  24  12.240  -4.226   3.184
  203    HB3  ALA  24           3HB      ALA  24  12.752  -5.913   3.211
  204    H    PHE  25           H        PHE  25   8.707  -4.138   3.155
  205    HA   PHE  25           HA       PHE  25   8.622  -4.829   6.012
  206    HB2  PHE  25           2HB      PHE  25   8.657  -2.102   4.756
  207    HB3  PHE  25           3HB      PHE  25   7.858  -2.357   6.304
  208    HD1  PHE  25           HD2      PHE  25  11.101  -3.153   4.637
  209    HD2  PHE  25           HD1      PHE  25   9.088  -1.991   8.202
  210    HE1  PHE  25           HE2      PHE  25  13.266  -2.934   5.784
  211    HE2  PHE  25           HE1      PHE  25  11.250  -1.770   9.355
  212    HZ   PHE  25           HZ       PHE  25  13.343  -2.243   8.146
  213    H    GLU  26           H        GLU  26   7.054  -5.003   3.192
  214    HA   GLU  26           HA       GLU  26   4.411  -4.781   4.474
  215    HB2  GLU  26           2HB      GLU  26   5.375  -3.724   1.884
  216    HB3  GLU  26           3HB      GLU  26   3.788  -4.479   1.861
  217    HG2  GLU  26           2HG      GLU  26   4.491  -2.385   3.883
  218    HG3  GLU  26           3HG      GLU  26   3.925  -1.961   2.268
  219    H    ARG  27           H        ARG  27   6.453  -6.464   2.158
  220    HA   ARG  27           HA       ARG  27   4.706  -8.811   2.425
  221    HB2  ARG  27           2HB      ARG  27   5.183  -9.344   0.023
  222    HB3  ARG  27           3HB      ARG  27   4.169  -7.928   0.267
  223    HG2  ARG  27           2HG      ARG  27   5.582  -7.094  -1.295
  224    HG3  ARG  27           3HG      ARG  27   6.509  -6.693   0.152
  225    HD2  ARG  27           2HD      ARG  27   7.920  -7.712  -1.568
  226    HD3  ARG  27           3HD      ARG  27   7.838  -8.713  -0.119
  227    HE   ARG  27           HE       ARG  27   5.898  -9.454  -2.088
  228   HH11  ARG  27          1HH1      ARG  27   9.224  -9.802  -1.120
  229   HH12  ARG  27          2HH1      ARG  27   9.434 -11.324  -1.919
  230   HH21  ARG  27          1HH2      ARG  27   6.162 -11.459  -3.144
  231   HH22  ARG  27          2HH2      ARG  27   7.692 -12.266  -3.071
  232    H    ALA  28           H        ALA  28   7.372  -7.842   3.525
  233    HA   ALA  28           HA       ALA  28   9.467  -9.365   2.455
  234    HB1  ALA  28           1HB      ALA  28  10.513  -8.073   3.929
  235    HB2  ALA  28           2HB      ALA  28   9.013  -7.747   4.798
  236    HB3  ALA  28           3HB      ALA  28   9.967  -9.178   5.191
  237    H    THR  29           H        THR  29   8.044 -10.051   5.637
  238    HA   THR  29           HA       THR  29   8.423 -12.913   5.105
  239    HB   THR  29           HB       THR  29   9.454 -11.795   7.160
  240    HG1  THR  29           HG1      THR  29   9.497 -13.820   7.741
  241   HG21  THR  29          3HG2      THR  29   6.671 -12.067   8.278
  242   HG22  THR  29          1HG2      THR  29   7.312 -10.535   7.686
  243   HG23  THR  29          2HG2      THR  29   8.089 -11.350   9.043
  244    H    PHE  30           H        PHE  30   6.009 -10.509   5.800
  245    HA   PHE  30           HA       PHE  30   3.949 -12.604   5.949
  246    HB2  PHE  30           2HB      PHE  30   2.534 -10.551   6.747
  247    HB3  PHE  30           3HB      PHE  30   3.646 -11.334   7.865
  248    HD1  PHE  30           HD2      PHE  30   4.075  -8.792   5.166
  249    HD2  PHE  30           HD1      PHE  30   4.599  -9.796   9.269
  250    HE1  PHE  30           HE2      PHE  30   5.202  -6.638   5.546
  251    HE2  PHE  30           HE1      PHE  30   5.725  -7.643   9.656
  252    HZ   PHE  30           HZ       PHE  30   6.029  -6.061   7.793
  Start of MODEL   16
    1    H1   TYR   1           H        TYR   1  -0.917  -4.373  -4.459
    2    HA   TYR   1           HA       TYR   1   0.872  -3.017  -3.039
    3    HB2  TYR   1           2HB      TYR   1   1.213  -5.213  -4.295
    4    HB3  TYR   1           3HB      TYR   1   1.735  -4.233  -5.661
    5    HD1  TYR   1           HD2      TYR   1   3.647  -2.517  -5.150
    6    HD2  TYR   1           HD1      TYR   1   2.784  -5.917  -2.743
    7    HE1  TYR   1           HE2      TYR   1   5.924  -2.432  -4.225
    8    HE2  TYR   1           HE1      TYR   1   5.058  -5.841  -1.810
    9    HH   TYR   1           HH       TYR   1   7.395  -4.856  -2.735
   10    H    ALA   2           H        ALA   2   0.934  -2.657  -6.588
   11    HA   ALA   2           HA       ALA   2   2.089   0.017  -6.226
   12    HB1  ALA   2           1HB      ALA   2   3.129  -1.854  -7.703
   13    HB2  ALA   2           2HB      ALA   2   1.909  -1.353  -8.875
   14    HB3  ALA   2           3HB      ALA   2   3.100  -0.191  -8.290
   15    H    GLU   3           H        GLU   3   1.279   1.814  -7.375
   16    HA   GLU   3           HA       GLU   3  -1.516   1.510  -8.259
   17    HB2  GLU   3           2HB      GLU   3  -0.312   4.031  -7.123
   18    HB3  GLU   3           3HB      GLU   3  -2.012   3.674  -7.392
   19    HG2  GLU   3           2HG      GLU   3  -1.650   1.770  -5.694
   20    HG3  GLU   3           3HG      GLU   3  -0.189   2.653  -5.255
   21    H    LYS   4           H        LYS   4  -0.210   1.010 -10.314
   22    HA   LYS   4           HA       LYS   4   0.430   1.597 -12.418
   23    HB2  LYS   4           2HB      LYS   4  -1.288   3.950 -11.648
   24    HB3  LYS   4           3HB      LYS   4  -0.560   3.813 -13.243
   25    HG2  LYS   4           2HG      LYS   4  -2.602   2.894 -13.654
   26    HG3  LYS   4           3HG      LYS   4  -1.702   1.445 -13.200
   27    HD2  LYS   4           2HD      LYS   4  -2.725   1.296 -11.136
   28    HD3  LYS   4           3HD      LYS   4  -3.120   3.016 -11.092
   29    HE2  LYS   4           2HE      LYS   4  -4.384   1.049 -12.993
   30    HE3  LYS   4           3HE      LYS   4  -5.076   1.485 -11.431
   31    HZ1  LYS   4           3HZ      LYS   4  -4.368   3.660 -13.250
   32    HZ2  LYS   4           1HZ      LYS   4  -5.652   3.541 -12.154
   33    HZ3  LYS   4           2HZ      LYS   4  -5.730   2.735 -13.639
   34    H    VAL   5           H        VAL   5   2.277   2.157 -10.322
   35    HA   VAL   5           HA       VAL   5   3.618   4.566 -11.365
   36    HB   VAL   5           HB       VAL   5   3.035   4.728  -8.978
   37   HG11  VAL   5          1HG1      VAL   5   3.999   3.286  -7.329
   38   HG12  VAL   5          2HG1      VAL   5   3.185   2.278  -8.527
   39   HG13  VAL   5          3HG1      VAL   5   4.942   2.434  -8.552
   40   HG21  VAL   5          3HG2      VAL   5   5.371   5.198  -8.145
   41   HG22  VAL   5          1HG2      VAL   5   5.957   4.552  -9.677
   42   HG23  VAL   5          2HG2      VAL   5   4.928   5.984  -9.660
   43    H    ALA   6           H        ALA   6   3.936   1.175 -10.597
   44    HA   ALA   6           HA       ALA   6   6.764   1.145 -11.288
   45    HB1  ALA   6           1HB      ALA   6   5.120  -0.436  -9.650
   46    HB2  ALA   6           2HB      ALA   6   5.652  -1.477 -10.971
   47    HB3  ALA   6           3HB      ALA   6   6.841  -0.641  -9.973
   48    H    GLN   7           H        GLN   7   3.913  -0.727 -12.351
   49    HA   GLN   7           HA       GLN   7   5.011  -1.821 -14.636
   50    HB2  GLN   7           2HB      GLN   7   2.801  -2.302 -15.349
   51    HB3  GLN   7           3HB      GLN   7   2.768  -2.349 -13.591
   52    HG2  GLN   7           2HG      GLN   7   1.795  -0.126 -13.530
   53    HG3  GLN   7           3HG      GLN   7   1.871  -0.031 -15.288
   54   HE21  GLN   7          1HE2      GLN   7   0.736  -2.379 -12.875
   55   HE22  GLN   7          2HE2      GLN   7  -0.802  -2.651 -13.615
   56    H    GLU   8           H        GLU   8   3.744   1.392 -14.111
   57    HA   GLU   8           HA       GLU   8   3.607   2.123 -16.866
   58    HB2  GLU   8           2HB      GLU   8   2.521   3.204 -14.704
   59    HB3  GLU   8           3HB      GLU   8   3.988   4.173 -14.732
   60    HG2  GLU   8           2HG      GLU   8   3.404   4.674 -17.164
   61    HG3  GLU   8           3HG      GLU   8   1.811   4.020 -16.785
   62    H    LYS   9           H        LYS   9   5.899   2.945 -14.264
   63    HA   LYS   9           HA       LYS   9   7.706   4.402 -15.793
   64    HB2  LYS   9           2HB      LYS   9   8.009   2.758 -13.295
   65    HB3  LYS   9           3HB      LYS   9   9.400   3.547 -14.026
   66    HG2  LYS   9           2HG      LYS   9   6.938   5.125 -13.421
   67    HG3  LYS   9           3HG      LYS   9   8.086   4.737 -12.137
   68    HD2  LYS   9           2HD      LYS   9   9.872   5.819 -13.360
   69    HD3  LYS   9           3HD      LYS   9   8.796   6.115 -14.727
   70    HE2  LYS   9           2HE      LYS   9   8.105   7.156 -12.008
   71    HE3  LYS   9           3HE      LYS   9   9.266   8.017 -13.017
   72    HZ1  LYS   9           3HZ      LYS   9   6.868   8.727 -13.201
   73    HZ2  LYS   9           1HZ      LYS   9   6.576   7.263 -13.997
   74    HZ3  LYS   9           2HZ      LYS   9   7.653   8.386 -14.660
   75    H    GLY  10           H        GLY  10   8.390   1.099 -14.638
   76    HA2  GLY  10           2HA      GLY  10   8.790  -0.207 -17.008
   77    HA3  GLY  10           3HA      GLY  10  10.289   0.673 -16.749
   78    H    PHE  11           H        PHE  11  11.552  -1.146 -16.463
   79    HA   PHE  11           HA       PHE  11  10.850  -2.973 -14.290
   80    HB2  PHE  11           2HB      PHE  11  11.553  -3.919 -16.475
   81    HB3  PHE  11           3HB      PHE  11  13.122  -3.144 -16.280
   82    HD1  PHE  11           HD1      PHE  11  10.845  -5.381 -14.344
   83    HD2  PHE  11           HD2      PHE  11  14.833  -4.451 -15.505
   84    HE1  PHE  11           HE1      PHE  11  11.659  -7.351 -13.115
   85    HE2  PHE  11           HE2      PHE  11  15.653  -6.420 -14.279
   86    HZ   PHE  11           HZ       PHE  11  14.066  -7.873 -13.082
   87    H    LEU  12           H        LEU  12  13.762  -1.234 -15.402
   88    HA   LEU  12           HA       LEU  12  15.316  -1.571 -13.145
   89    HB2  LEU  12           2HB      LEU  12  15.241   0.930 -14.818
   90    HB3  LEU  12           3HB      LEU  12  16.596   0.320 -13.871
   91    HG   LEU  12           HG       LEU  12  15.464  -0.915 -16.381
   92   HD11  LEU  12          1HD1      LEU  12  18.185  -0.322 -16.640
   93   HD12  LEU  12          2HD1      LEU  12  17.451   1.103 -15.906
   94   HD13  LEU  12          3HD1      LEU  12  16.829   0.479 -17.434
   95   HD21  LEU  12          3HD2      LEU  12  16.208  -2.701 -15.017
   96   HD22  LEU  12          1HD2      LEU  12  17.642  -1.810 -14.508
   97   HD23  LEU  12          2HD2      LEU  12  17.505  -2.384 -16.170
   98    H    TYR  13           H        TYR  13  12.712   0.699 -13.723
   99    HA   TYR  13           HA       TYR  13  13.114   2.537 -11.703
  100    HB2  TYR  13           2HB      TYR  13  11.344   2.876 -13.282
  101    HB3  TYR  13           3HB      TYR  13  10.544   1.385 -12.796
  102    HD1  TYR  13           HD2      TYR  13  11.529   4.740 -11.517
  103    HD2  TYR  13           HD1      TYR  13   8.884   1.427 -11.156
  104    HE1  TYR  13           HE2      TYR  13  10.181   6.000  -9.892
  105    HE2  TYR  13           HE1      TYR  13   7.528   2.679  -9.531
  106    HH   TYR  13           HH       TYR  13   7.679   4.518  -8.036
  107    H    ARG  14           H        ARG  14  11.322  -0.534 -11.505
  108    HA   ARG  14           HA       ARG  14  10.595  -0.392  -8.825
  109    HB2  ARG  14           2HB      ARG  14  10.991  -2.603 -10.780
  110    HB3  ARG  14           3HB      ARG  14  10.861  -3.033  -9.079
  111    HG2  ARG  14           2HG      ARG  14   8.671  -2.429  -8.947
  112    HG3  ARG  14           3HG      ARG  14   8.820  -1.197 -10.202
  113    HD2  ARG  14           2HD      ARG  14   8.598  -2.726 -11.916
  114    HD3  ARG  14           3HD      ARG  14   9.149  -4.074 -10.922
  115    HE   ARG  14           HE       ARG  14   6.798  -3.313  -9.775
  116   HH11  ARG  14          1HH1      ARG  14   7.766  -4.250 -12.986
  117   HH12  ARG  14          2HH1      ARG  14   6.226  -4.931 -13.392
  118   HH21  ARG  14          1HH2      ARG  14   4.766  -4.207 -10.299
  119   HH22  ARG  14          2HH2      ARG  14   4.520  -4.905 -11.864
  120    H    LEU  15           H        LEU  15  13.664  -1.089 -10.276
  121    HA   LEU  15           HA       LEU  15  14.814  -2.275  -7.919
  122    HB2  LEU  15           2HB      LEU  15  16.247  -1.146 -10.314
  123    HB3  LEU  15           3HB      LEU  15  16.874  -2.300  -9.139
  124    HG   LEU  15           HG       LEU  15  14.698  -2.827 -11.162
  125   HD11  LEU  15          1HD1      LEU  15  16.320  -4.280 -12.221
  126   HD12  LEU  15          2HD1      LEU  15  17.524  -3.864 -11.002
  127   HD13  LEU  15          3HD1      LEU  15  16.949  -2.635 -12.128
  128   HD21  LEU  15          3HD2      LEU  15  16.031  -4.773  -9.289
  129   HD22  LEU  15          1HD2      LEU  15  14.681  -5.078 -10.383
  130   HD23  LEU  15          2HD2      LEU  15  14.459  -4.033  -8.980
  131    H    THR  16           H        THR  16  13.823  -0.170  -6.832
  132    HA   THR  16           HA       THR  16  16.040   1.759  -6.592
  133    HB   THR  16           HB       THR  16  14.120   3.325  -5.747
  134    HG1  THR  16           HG1      THR  16  12.623   1.382  -6.129
  135   HG21  THR  16          3HG2      THR  16  15.472   3.795  -7.710
  136   HG22  THR  16          1HG2      THR  16  13.778   4.146  -8.052
  137   HG23  THR  16          2HG2      THR  16  14.514   2.667  -8.669
  138    H    SER  17           H        SER  17  16.332   2.715  -4.490
  139    HA   SER  17           HA       SER  17  16.426   0.916  -2.399
  140    HB2  SER  17           2HB      SER  17  17.481   3.324  -2.726
  141    HB3  SER  17           3HB      SER  17  16.094   3.816  -1.753
  142    HG   SER  17           HG       SER  17  18.216   3.109  -0.708
  143    H    ARG  18           H        ARG  18  13.983   3.422  -3.013
  144    HA   ARG  18           HA       ARG  18  12.414   3.096  -0.764
  145    HB2  ARG  18           2HB      ARG  18  11.888   3.996  -3.555
  146    HB3  ARG  18           3HB      ARG  18  10.501   3.667  -2.524
  147    HG2  ARG  18           2HG      ARG  18  11.109   6.020  -2.469
  148    HG3  ARG  18           3HG      ARG  18  11.321   5.270  -0.886
  149    HD2  ARG  18           2HD      ARG  18  13.722   5.050  -1.320
  150    HD3  ARG  18           3HD      ARG  18  13.504   5.807  -2.897
  151    HE   ARG  18           HE       ARG  18  12.476   7.570  -1.032
  152   HH11  ARG  18          1HH1      ARG  18  15.552   6.108  -1.756
  153   HH12  ARG  18          2HH1      ARG  18  16.476   7.441  -1.148
  154   HH21  ARG  18          1HH2      ARG  18  13.683   9.332  -0.228
  155   HH22  ARG  18          2HH2      ARG  18  15.412   9.274  -0.278
  156    H    TYR  19           H        TYR  19  12.107   1.404  -3.882
  157    HA   TYR  19           HA       TYR  19   9.928  -0.196  -3.274
  158    HB2  TYR  19           2HB      TYR  19  10.737  -0.108  -5.526
  159    HB3  TYR  19           3HB      TYR  19  12.313  -0.731  -5.049
  160    HD1  TYR  19           HD1      TYR  19   8.731  -1.638  -5.372
  161    HD2  TYR  19           HD2      TYR  19  12.726  -3.050  -4.988
  162    HE1  TYR  19           HE1      TYR  19   7.962  -3.925  -5.851
  163    HE2  TYR  19           HE2      TYR  19  11.969  -5.341  -5.467
  164    HH   TYR  19           HH       TYR  19  10.227  -6.570  -6.293
  165    H    ARG  20           H        ARG  20  13.380  -0.868  -2.768
  166    HA   ARG  20           HA       ARG  20  13.209  -3.444  -1.785
  167    HB2  ARG  20           2HB      ARG  20  15.089  -1.326  -0.736
  168    HB3  ARG  20           3HB      ARG  20  15.343  -3.066  -0.736
  169    HG2  ARG  20           2HG      ARG  20  15.032  -2.711  -3.354
  170    HG3  ARG  20           3HG      ARG  20  15.627  -1.104  -2.929
  171    HD2  ARG  20           2HD      ARG  20  17.011  -3.603  -2.006
  172    HD3  ARG  20           3HD      ARG  20  17.349  -2.884  -3.579
  173    HE   ARG  20           HE       ARG  20  17.603  -0.842  -1.750
  174   HH11  ARG  20          1HH1      ARG  20  19.084  -3.944  -2.301
  175   HH12  ARG  20          2HH1      ARG  20  20.612  -3.480  -1.629
  176   HH21  ARG  20          1HH2      ARG  20  19.610  -0.219  -0.862
  177   HH22  ARG  20          2HH2      ARG  20  20.909  -1.361  -0.810
  178    H    HIS  21           H        HIS  21  13.045  -0.402   0.055
  179    HA   HIS  21           HA       HIS  21  12.730  -1.486   2.595
  180    HB2  HIS  21           2HB      HIS  21  11.855   1.102   1.348
  181    HB3  HIS  21           3HB      HIS  21  11.404   0.717   3.007
  182    HD1  HIS  21           HD1      HIS  21  14.746  -0.414   1.871
  183    HD2  HIS  21           HD2      HIS  21  13.093   2.834   3.867
  184    HE1  HIS  21           HE1      HIS  21  16.691   0.807   2.896
  185    H    TYR  22           H        TYR  22  10.223  -0.549   0.251
  186    HA   TYR  22           HA       TYR  22   7.971  -1.129   1.732
  187    HB2  TYR  22           2HB      TYR  22   8.550  -1.274  -1.211
  188    HB3  TYR  22           3HB      TYR  22   6.974  -1.753  -0.589
  189    HD1  TYR  22           HD1      TYR  22   5.833   0.010   1.007
  190    HD2  TYR  22           HD2      TYR  22   8.880   0.933  -1.816
  191    HE1  TYR  22           HE1      TYR  22   5.115   2.362   1.011
  192    HE2  TYR  22           HE2      TYR  22   8.172   3.288  -1.819
  193    HH   TYR  22           HH       TYR  22   5.699   4.466  -1.202
  194    H    ALA  23           H        ALA  23   9.733  -3.339  -0.437
  195    HA   ALA  23           HA       ALA  23   8.161  -5.610   0.131
  196    HB1  ALA  23           1HB      ALA  23   9.697  -6.831  -1.122
  197    HB2  ALA  23           2HB      ALA  23   9.811  -5.207  -1.802
  198    HB3  ALA  23           3HB      ALA  23  11.042  -5.781  -0.677
  199    H    ALA  24           H        ALA  24  10.836  -4.130   1.784
  200    HA   ALA  24           HA       ALA  24  11.441  -6.422   3.416
  201    HB1  ALA  24           1HB      ALA  24  12.390  -3.957   4.542
  202    HB2  ALA  24           2HB      ALA  24  13.305  -5.296   3.847
  203    HB3  ALA  24           3HB      ALA  24  12.712  -4.001   2.808
  204    H    PHE  25           H        PHE  25   8.921  -4.271   3.382
  205    HA   PHE  25           HA       PHE  25   8.407  -4.698   6.250
  206    HB2  PHE  25           2HB      PHE  25   8.016  -2.231   4.583
  207    HB3  PHE  25           3HB      PHE  25   7.017  -2.512   6.005
  208    HD1  PHE  25           HD2      PHE  25  10.634  -2.711   5.093
  209    HD2  PHE  25           HD1      PHE  25   7.703  -1.476   7.923
  210    HE1  PHE  25           HE2      PHE  25  12.408  -1.777   6.518
  211    HE2  PHE  25           HE1      PHE  25   9.473  -0.539   9.352
  212    HZ   PHE  25           HZ       PHE  25  11.830  -0.690   8.651
  213    H    GLU  26           H        GLU  26   7.464  -5.392   3.161
  214    HA   GLU  26           HA       GLU  26   4.686  -5.893   4.011
  215    HB2  GLU  26           2HB      GLU  26   5.782  -4.831   1.450
  216    HB3  GLU  26           3HB      GLU  26   4.367  -5.871   1.373
  217    HG2  GLU  26           2HG      GLU  26   4.337  -3.621   3.306
  218    HG3  GLU  26           3HG      GLU  26   4.169  -3.250   1.591
  219    H    ARG  27           H        ARG  27   7.558  -7.104   2.471
  220    HA   ARG  27           HA       ARG  27   6.478  -9.810   2.637
  221    HB2  ARG  27           2HB      ARG  27   7.465  -8.493   0.123
  222    HB3  ARG  27           3HB      ARG  27   7.591 -10.234   0.335
  223    HG2  ARG  27           2HG      ARG  27   4.986  -8.789   0.670
  224    HG3  ARG  27           3HG      ARG  27   5.558  -9.336  -0.907
  225    HD2  ARG  27           2HD      ARG  27   5.814 -11.630   0.144
  226    HD3  ARG  27           3HD      ARG  27   4.905 -10.995   1.515
  227    HE   ARG  27           HE       ARG  27   3.518 -10.515  -0.904
  228   HH11  ARG  27          1HH1      ARG  27   4.329 -13.054   1.335
  229   HH12  ARG  27          2HH1      ARG  27   2.928 -14.004   0.968
  230   HH21  ARG  27          1HH2      ARG  27   1.668 -11.756  -1.396
  231   HH22  ARG  27          2HH2      ARG  27   1.415 -13.265  -0.586
  232    H    ALA  28           H        ALA  28   8.293  -8.644   4.351
  233    HA   ALA  28           HA       ALA  28  10.965  -9.431   3.525
  234    HB1  ALA  28           1HB      ALA  28  11.508  -7.763   4.884
  235    HB2  ALA  28           2HB      ALA  28   9.852  -7.652   5.483
  236    HB3  ALA  28           3HB      ALA  28  10.993  -8.760   6.246
  237    H    THR  29           H        THR  29   9.291 -10.025   6.603
  238    HA   THR  29           HA       THR  29  10.485 -12.692   6.680
  239    HB   THR  29           HB       THR  29  10.575 -11.035   8.645
  240    HG1  THR  29           HG1      THR  29  11.068 -12.823   9.648
  241   HG21  THR  29          3HG2      THR  29   8.705 -10.908  10.100
  242   HG22  THR  29          1HG2      THR  29   7.823 -12.133   9.189
  243   HG23  THR  29          2HG2      THR  29   8.096 -10.538   8.487
  244    H    PHE  30           H        PHE  30   7.435 -11.117   6.266
  245    HA   PHE  30           HA       PHE  30   5.592 -12.975   7.075
  246    HB2  PHE  30           2HB      PHE  30   5.391 -11.512   4.442
  247    HB3  PHE  30           3HB      PHE  30   4.073 -12.038   5.483
  248    HD1  PHE  30           HD2      PHE  30   4.185 -11.039   7.940
  249    HD2  PHE  30           HD1      PHE  30   5.989  -9.302   4.498
  250    HE1  PHE  30           HE2      PHE  30   4.188  -8.845   9.053
  251    HE2  PHE  30           HE1      PHE  30   5.997  -7.105   5.607
  252    HZ   PHE  30           HZ       PHE  30   5.094  -6.874   7.887
  Start of MODEL   17
    1    H1   TYR   1           H        TYR   1  -0.857  -1.296  -2.819
    2    HA   TYR   1           HA       TYR   1   1.691  -1.356  -3.470
    3    HB2  TYR   1           2HB      TYR   1   0.785  -3.140  -2.148
    4    HB3  TYR   1           3HB      TYR   1  -0.149  -3.752  -3.510
    5    HD1  TYR   1           HD1      TYR   1   3.173  -3.563  -1.980
    6    HD2  TYR   1           HD2      TYR   1   0.916  -5.049  -5.267
    7    HE1  TYR   1           HE1      TYR   1   5.028  -5.068  -2.565
    8    HE2  TYR   1           HE2      TYR   1   2.765  -6.559  -5.861
    9    HH   TYR   1           HH       TYR   1   4.849  -7.633  -4.262
   10    H    ALA   2           H        ALA   2  -0.871  -2.088  -5.730
   11    HA   ALA   2           HA       ALA   2   1.095  -2.021  -7.906
   12    HB1  ALA   2           1HB      ALA   2  -1.141  -4.038  -7.810
   13    HB2  ALA   2           2HB      ALA   2   0.133  -3.904  -9.023
   14    HB3  ALA   2           3HB      ALA   2   0.531  -4.392  -7.376
   15    H    GLU   3           H        GLU   3   0.428   0.053  -8.455
   16    HA   GLU   3           HA       GLU   3  -1.879   0.197 -10.135
   17    HB2  GLU   3           2HB      GLU   3  -2.866   0.489  -7.847
   18    HB3  GLU   3           3HB      GLU   3  -1.894   1.943  -7.670
   19    HG2  GLU   3           2HG      GLU   3  -3.033   2.756  -9.802
   20    HG3  GLU   3           3HG      GLU   3  -4.178   1.440  -9.542
   21    H    LYS   4           H        LYS   4   0.625   1.949  -8.366
   22    HA   LYS   4           HA       LYS   4   1.383   3.324 -10.803
   23    HB2  LYS   4           2HB      LYS   4   0.263   4.733  -8.400
   24    HB3  LYS   4           3HB      LYS   4   1.445   5.532  -9.429
   25    HG2  LYS   4           2HG      LYS   4  -0.135   4.942 -11.362
   26    HG3  LYS   4           3HG      LYS   4  -1.333   4.641 -10.101
   27    HD2  LYS   4           2HD      LYS   4  -1.723   6.861 -10.620
   28    HD3  LYS   4           3HD      LYS   4  -0.630   6.993  -9.241
   29    HE2  LYS   4           2HE      LYS   4   0.190   8.516 -10.836
   30    HE3  LYS   4           3HE      LYS   4   1.255   7.115 -10.938
   31    HZ1  LYS   4           3HZ      LYS   4   0.547   8.008 -13.120
   32    HZ2  LYS   4           1HZ      LYS   4  -1.048   7.580 -12.751
   33    HZ3  LYS   4           2HZ      LYS   4   0.137   6.382 -12.896
   34    H    VAL   5           H        VAL   5   2.480   1.359  -8.846
   35    HA   VAL   5           HA       VAL   5   5.140   2.344  -8.778
   36    HB   VAL   5           HB       VAL   5   4.192   3.588  -6.836
   37   HG11  VAL   5          1HG1      VAL   5   4.023   0.933  -5.440
   38   HG12  VAL   5          2HG1      VAL   5   3.434   2.504  -4.893
   39   HG13  VAL   5          3HG1      VAL   5   2.627   1.673  -6.223
   40   HG21  VAL   5          3HG2      VAL   5   6.613   2.586  -7.096
   41   HG22  VAL   5          1HG2      VAL   5   6.113   3.381  -5.604
   42   HG23  VAL   5          2HG2      VAL   5   6.121   1.621  -5.705
   43    H    ALA   6           H        ALA   6   6.658   0.754  -8.141
   44    HA   ALA   6           HA       ALA   6   7.474  -1.358  -7.912
   45    HB1  ALA   6           1HB      ALA   6   6.384  -2.872  -6.426
   46    HB2  ALA   6           2HB      ALA   6   6.164  -1.243  -5.786
   47    HB3  ALA   6           3HB      ALA   6   4.838  -2.046  -6.627
   48    H    GLN   7           H        GLN   7   7.577  -1.860 -10.087
   49    HA   GLN   7           HA       GLN   7   7.165  -3.061 -11.975
   50    HB2  GLN   7           2HB      GLN   7   6.745  -4.854 -10.211
   51    HB3  GLN   7           3HB      GLN   7   5.031  -4.529 -10.433
   52    HG2  GLN   7           2HG      GLN   7   5.077  -5.275 -12.668
   53    HG3  GLN   7           3HG      GLN   7   6.839  -5.277 -12.708
   54   HE21  GLN   7          1HE2      GLN   7   4.121  -6.748 -10.976
   55   HE22  GLN   7          2HE2      GLN   7   4.847  -8.306 -10.807
   56    H    GLU   8           H        GLU   8   5.395  -0.724 -10.991
   57    HA   GLU   8           HA       GLU   8   3.340  -1.061 -13.073
   58    HB2  GLU   8           2HB      GLU   8   3.039   0.137 -10.322
   59    HB3  GLU   8           3HB      GLU   8   1.897   0.455 -11.620
   60    HG2  GLU   8           2HG      GLU   8   2.449  -2.382 -11.199
   61    HG3  GLU   8           3HG      GLU   8   1.714  -1.576  -9.814
   62    H    LYS   9           H        LYS   9   6.059   0.246 -12.920
   63    HA   LYS   9           HA       LYS   9   5.219   2.805 -14.068
   64    HB2  LYS   9           2HB      LYS   9   6.974   2.416 -11.705
   65    HB3  LYS   9           3HB      LYS   9   7.480   3.628 -12.875
   66    HG2  LYS   9           2HG      LYS   9   5.088   4.538 -12.662
   67    HG3  LYS   9           3HG      LYS   9   5.000   3.553 -11.200
   68    HD2  LYS   9           2HD      LYS   9   6.449   4.876 -10.059
   69    HD3  LYS   9           3HD      LYS   9   7.392   5.268 -11.499
   70    HE2  LYS   9           2HE      LYS   9   4.615   6.319 -11.279
   71    HE3  LYS   9           3HE      LYS   9   5.880   7.072 -10.310
   72    HZ1  LYS   9           3HZ      LYS   9   5.505   7.077 -13.203
   73    HZ2  LYS   9           1HZ      LYS   9   7.099   7.021 -12.640
   74    HZ3  LYS   9           2HZ      LYS   9   6.087   8.297 -12.185
   75    H    GLY  10           H        GLY  10   7.844   0.480 -13.553
   76    HA2  GLY  10           2HA      GLY  10   8.518   0.165 -16.215
   77    HA3  GLY  10           3HA      GLY  10   9.503   1.499 -15.633
   78    H    PHE  11           H        PHE  11  10.409  -1.071 -16.578
   79    HA   PHE  11           HA       PHE  11  11.065  -2.863 -14.549
   80    HB2  PHE  11           2HB      PHE  11  11.374  -3.080 -17.103
   81    HB3  PHE  11           3HB      PHE  11  12.919  -2.276 -16.845
   82    HD1  PHE  11           HD1      PHE  11  14.316  -3.351 -14.820
   83    HD2  PHE  11           HD2      PHE  11  11.397  -5.364 -17.174
   84    HE1  PHE  11           HE1      PHE  11  15.344  -5.511 -14.242
   85    HE2  PHE  11           HE2      PHE  11  12.419  -7.527 -16.599
   86    HZ   PHE  11           HZ       PHE  11  14.395  -7.602 -15.131
   87    H    LEU  12           H        LEU  12  13.219  -0.392 -15.963
   88    HA   LEU  12           HA       LEU  12  15.265  -0.627 -14.091
   89    HB2  LEU  12           2HB      LEU  12  14.463   1.909 -15.501
   90    HB3  LEU  12           3HB      LEU  12  16.058   1.495 -14.876
   91    HG   LEU  12           HG       LEU  12  14.867  -0.232 -16.991
   92   HD11  LEU  12          1HD1      LEU  12  16.194   1.440 -18.554
   93   HD12  LEU  12          2HD1      LEU  12  15.696   2.599 -17.322
   94   HD13  LEU  12          3HD1      LEU  12  14.482   1.662 -18.193
   95   HD21  LEU  12          3HD2      LEU  12  17.567   0.520 -15.979
   96   HD22  LEU  12          1HD2      LEU  12  17.397  -0.006 -17.654
   97   HD23  LEU  12          2HD2      LEU  12  16.898  -1.073 -16.341
   98    H    TYR  13           H        TYR  13  12.351   1.360 -14.043
   99    HA   TYR  13           HA       TYR  13  12.886   3.023 -11.909
  100    HB2  TYR  13           2HB      TYR  13  10.877   3.343 -13.160
  101    HB3  TYR  13           3HB      TYR  13  10.299   1.727 -12.770
  102    HD1  TYR  13           HD2      TYR  13   9.391   1.234 -10.549
  103    HD2  TYR  13           HD1      TYR  13  10.650   5.162 -11.592
  104    HE1  TYR  13           HE2      TYR  13   8.174   2.133  -8.609
  105    HE2  TYR  13           HE1      TYR  13   9.438   6.071  -9.654
  106    HH   TYR  13           HH       TYR  13   8.446   5.499  -7.668
  107    H    ARG  14           H        ARG  14  11.432  -0.225 -11.799
  108    HA   ARG  14           HA       ARG  14  11.043  -0.450  -9.076
  109    HB2  ARG  14           2HB      ARG  14  10.695  -2.113 -11.180
  110    HB3  ARG  14           3HB      ARG  14  12.091  -2.867 -10.422
  111    HG2  ARG  14           2HG      ARG  14  10.683  -2.698  -8.250
  112    HG3  ARG  14           3HG      ARG  14   9.324  -2.513  -9.360
  113    HD2  ARG  14           2HD      ARG  14  10.499  -4.625 -10.491
  114    HD3  ARG  14           3HD      ARG  14  11.049  -4.864  -8.833
  115    HE   ARG  14           HE       ARG  14   8.268  -4.362  -8.879
  116   HH11  ARG  14          1HH1      ARG  14  10.614  -6.822  -9.628
  117   HH12  ARG  14          2HH1      ARG  14   9.515  -8.135  -9.363
  118   HH21  ARG  14          1HH2      ARG  14   6.812  -6.082  -8.526
  119   HH22  ARG  14          2HH2      ARG  14   7.352  -7.713  -8.737
  120    H    LEU  15           H        LEU  15  14.005  -0.764 -10.920
  121    HA   LEU  15           HA       LEU  15  15.553  -1.839  -8.767
  122    HB2  LEU  15           2HB      LEU  15  16.659  -0.373 -11.141
  123    HB3  LEU  15           3HB      LEU  15  17.412  -1.655 -10.195
  124    HG   LEU  15           HG       LEU  15  15.048  -2.033 -12.032
  125   HD11  LEU  15          1HD1      LEU  15  16.707  -3.223 -13.461
  126   HD12  LEU  15          2HD1      LEU  15  17.984  -2.564 -12.440
  127   HD13  LEU  15          3HD1      LEU  15  16.949  -1.479 -13.368
  128   HD21  LEU  15          3HD2      LEU  15  16.807  -4.021 -10.599
  129   HD22  LEU  15          1HD2      LEU  15  15.512  -4.411 -11.730
  130   HD23  LEU  15          2HD2      LEU  15  15.135  -3.635 -10.192
  131    H    THR  16           H        THR  16  14.839  -0.244  -7.152
  132    HA   THR  16           HA       THR  16  16.706   2.006  -7.081
  133    HB   THR  16           HB       THR  16  14.888   3.478  -6.142
  134    HG1  THR  16           HG1      THR  16  12.874   2.771  -6.110
  135   HG21  THR  16          3HG2      THR  16  14.769   2.534  -9.000
  136   HG22  THR  16          1HG2      THR  16  15.612   3.941  -8.352
  137   HG23  THR  16          2HG2      THR  16  13.849   3.920  -8.414
  138    H    SER  17           H        SER  17  16.249   3.165  -4.783
  139    HA   SER  17           HA       SER  17  16.857   1.114  -2.847
  140    HB2  SER  17           2HB      SER  17  17.869   3.536  -3.100
  141    HB3  SER  17           3HB      SER  17  16.496   3.988  -2.091
  142    HG   SER  17           HG       SER  17  17.868   3.439  -0.568
  143    H    ARG  18           H        ARG  18  14.207   3.305  -3.553
  144    HA   ARG  18           HA       ARG  18  12.764   2.919  -1.154
  145    HB2  ARG  18           2HB      ARG  18  12.163   4.004  -3.858
  146    HB3  ARG  18           3HB      ARG  18  10.797   3.541  -2.852
  147    HG2  ARG  18           2HG      ARG  18  11.166   5.841  -2.479
  148    HG3  ARG  18           3HG      ARG  18  11.768   4.999  -1.049
  149    HD2  ARG  18           2HD      ARG  18  14.038   5.205  -1.823
  150    HD3  ARG  18           3HD      ARG  18  13.493   5.888  -3.355
  151    HE   ARG  18           HE       ARG  18  12.523   7.518  -1.319
  152   HH11  ARG  18          1HH1      ARG  18  15.590   6.547  -2.650
  153   HH12  ARG  18          2HH1      ARG  18  16.389   8.025  -2.228
  154   HH21  ARG  18          1HH2      ARG  18  13.564   9.469  -0.758
  155   HH22  ARG  18          2HH2      ARG  18  15.236   9.686  -1.151
  156    H    TYR  19           H        TYR  19  12.643   1.305  -4.305
  157    HA   TYR  19           HA       TYR  19  10.439  -0.314  -3.945
  158    HB2  TYR  19           2HB      TYR  19  11.501  -0.265  -6.080
  159    HB3  TYR  19           3HB      TYR  19  13.027  -0.830  -5.411
  160    HD1  TYR  19           HD2      TYR  19   9.489  -2.043  -5.243
  161    HD2  TYR  19           HD1      TYR  19  13.548  -2.947  -6.146
  162    HE1  TYR  19           HE2      TYR  19   8.852  -4.361  -5.760
  163    HE2  TYR  19           HE1      TYR  19  12.922  -5.268  -6.666
  164    HH   TYR  19           HH       TYR  19   9.858  -6.563  -5.887
  165    H    ARG  20           H        ARG  20  13.797  -0.942  -2.977
  166    HA   ARG  20           HA       ARG  20  13.373  -3.514  -1.929
  167    HB2  ARG  20           2HB      ARG  20  15.422  -1.553  -0.906
  168    HB3  ARG  20           3HB      ARG  20  15.520  -3.308  -0.921
  169    HG2  ARG  20           2HG      ARG  20  15.288  -2.911  -3.537
  170    HG3  ARG  20           3HG      ARG  20  16.004  -1.360  -3.094
  171    HD2  ARG  20           2HD      ARG  20  17.122  -4.119  -2.669
  172    HD3  ARG  20           3HD      ARG  20  17.807  -2.799  -3.617
  173    HE   ARG  20           HE       ARG  20  17.642  -1.860  -1.035
  174   HH11  ARG  20          1HH1      ARG  20  19.206  -4.506  -2.668
  175   HH12  ARG  20          2HH1      ARG  20  20.543  -4.567  -1.567
  176   HH21  ARG  20          1HH2      ARG  20  19.397  -1.930   0.422
  177   HH22  ARG  20          2HH2      ARG  20  20.650  -3.102   0.190
  178    H    HIS  21           H        HIS  21  12.731  -0.356  -0.653
  179    HA   HIS  21           HA       HIS  21  12.458  -1.242   2.079
  180    HB2  HIS  21           2HB      HIS  21  12.150   1.338   0.621
  181    HB3  HIS  21           3HB      HIS  21  11.296   1.157   2.151
  182    HD1  HIS  21           HD1      HIS  21  13.281  -0.204   3.915
  183    HD2  HIS  21           HD2      HIS  21  14.379   2.745   1.202
  184    HE1  HIS  21           HE1      HIS  21  15.458   0.720   4.770
  185    H    TYR  22           H        TYR  22  10.200   0.015  -0.380
  186    HA   TYR  22           HA       TYR  22   7.836  -0.345   0.996
  187    HB2  TYR  22           2HB      TYR  22   8.412  -0.586  -1.958
  188    HB3  TYR  22           3HB      TYR  22   6.784  -0.598  -1.290
  189    HD1  TYR  22           HD2      TYR  22   6.971   1.467   0.795
  190    HD2  TYR  22           HD1      TYR  22   8.570   1.408  -3.147
  191    HE1  TYR  22           HE2      TYR  22   6.931   3.926   0.749
  192    HE2  TYR  22           HE1      TYR  22   8.536   3.867  -3.204
  193    HH   TYR  22           HH       TYR  22   7.472   5.719  -2.140
  194    H    ALA  23           H        ALA  23   9.337  -2.647  -1.276
  195    HA   ALA  23           HA       ALA  23   7.512  -4.730  -0.915
  196    HB1  ALA  23           1HB      ALA  23   9.807  -4.324  -2.412
  197    HB2  ALA  23           2HB      ALA  23  10.206  -5.693  -1.373
  198    HB3  ALA  23           3HB      ALA  23   8.787  -5.764  -2.419
  199    H    ALA  24           H        ALA  24  10.224  -3.707   1.024
  200    HA   ALA  24           HA       ALA  24  10.350  -6.110   2.594
  201    HB1  ALA  24           1HB      ALA  24  11.687  -4.390   4.116
  202    HB2  ALA  24           2HB      ALA  24  12.388  -5.106   2.663
  203    HB3  ALA  24           3HB      ALA  24  11.713  -3.478   2.606
  204    H    PHE  25           H        PHE  25   8.104  -3.713   2.427
  205    HA   PHE  25           HA       PHE  25   7.256  -4.192   5.201
  206    HB2  PHE  25           2HB      PHE  25   7.463  -1.576   3.743
  207    HB3  PHE  25           3HB      PHE  25   6.274  -1.787   5.024
  208    HD1  PHE  25           HD1      PHE  25   9.904  -2.399   4.411
  209    HD2  PHE  25           HD2      PHE  25   6.882  -1.170   7.146
  210    HE1  PHE  25           HE1      PHE  25  11.632  -1.895   6.088
  211    HE2  PHE  25           HE2      PHE  25   8.606  -0.663   8.827
  212    HZ   PHE  25           HZ       PHE  25  10.984  -1.024   8.299
  213    H    GLU  26           H        GLU  26   6.573  -4.724   2.088
  214    HA   GLU  26           HA       GLU  26   3.665  -4.652   2.557
  215    HB2  GLU  26           2HB      GLU  26   5.248  -3.652   0.285
  216    HB3  GLU  26           3HB      GLU  26   3.857  -4.628  -0.165
  217    HG2  GLU  26           2HG      GLU  26   3.672  -2.300   1.721
  218    HG3  GLU  26           3HG      GLU  26   3.483  -2.142  -0.024
  219    H    ARG  27           H        ARG  27   6.392  -6.309   1.079
  220    HA   ARG  27           HA       ARG  27   4.804  -8.781   1.081
  221    HB2  ARG  27           2HB      ARG  27   5.979  -9.449  -1.029
  222    HB3  ARG  27           3HB      ARG  27   4.847  -8.117  -1.217
  223    HG2  ARG  27           2HG      ARG  27   6.589  -7.279  -2.400
  224    HG3  ARG  27           3HG      ARG  27   7.036  -6.687  -0.799
  225    HD2  ARG  27           2HD      ARG  27   8.943  -7.701  -1.950
  226    HD3  ARG  27           3HD      ARG  27   8.517  -8.592  -0.489
  227    HE   ARG  27           HE       ARG  27   8.028 -10.408  -1.788
  228   HH11  ARG  27          1HH1      ARG  27   8.147  -7.573  -3.804
  229   HH12  ARG  27          2HH1      ARG  27   8.007  -8.460  -5.285
  230   HH21  ARG  27          1HH2      ARG  27   7.843 -11.588  -3.731
  231   HH22  ARG  27          2HH2      ARG  27   7.833 -10.744  -5.243
  232    H    ALA  28           H        ALA  28   6.979  -7.483   2.772
  233    HA   ALA  28           HA       ALA  28   9.388  -8.882   2.485
  234    HB1  ALA  28           1HB      ALA  28   9.075  -8.445   5.219
  235    HB2  ALA  28           2HB      ALA  28   9.879  -7.390   4.056
  236    HB3  ALA  28           3HB      ALA  28   8.175  -7.143   4.439
  237    H    THR  29           H        THR  29   7.166  -9.457   5.196
  238    HA   THR  29           HA       THR  29   7.875 -12.303   5.074
  239    HB   THR  29           HB       THR  29   8.202 -10.942   7.215
  240    HG1  THR  29           HG1      THR  29   7.359 -12.751   8.477
  241   HG21  THR  29          3HG2      THR  29   5.239 -11.384   7.531
  242   HG22  THR  29          1HG2      THR  29   5.923  -9.847   7.005
  243   HG23  THR  29          2HG2      THR  29   6.328 -10.494   8.595
  244    H    PHE  30           H        PHE  30   5.207 -10.088   4.833
  245    HA   PHE  30           HA       PHE  30   3.336 -12.348   4.611
  246    HB2  PHE  30           2HB      PHE  30   1.617 -10.382   4.782
  247    HB3  PHE  30           3HB      PHE  30   2.417 -10.972   6.235
  248    HD1  PHE  30           HD1      PHE  30   3.417  -8.611   3.523
  249    HD2  PHE  30           HD2      PHE  30   2.827  -9.250   7.689
  250    HE1  PHE  30           HE1      PHE  30   4.240  -6.338   3.985
  251    HE2  PHE  30           HE2      PHE  30   3.647  -6.979   8.158
  252    HZ   PHE  30           HZ       PHE  30   4.355  -5.519   6.304
  Start of MODEL   18
    1    H1   TYR   1           H        TYR   1   1.449  -5.593  -2.164
    2    HA   TYR   1           HA       TYR   1   0.060  -3.915  -3.215
    3    HB2  TYR   1           2HB      TYR   1   1.105  -1.805  -2.337
    4    HB3  TYR   1           3HB      TYR   1   0.984  -3.106  -1.158
    5    HD1  TYR   1           HD1      TYR   1   2.997  -4.301  -0.415
    6    HD2  TYR   1           HD2      TYR   1   3.244  -1.010  -3.101
    7    HE1  TYR   1           HE1      TYR   1   5.407  -4.118   0.039
    8    HE2  TYR   1           HE2      TYR   1   5.655  -0.819  -2.655
    9    HH   TYR   1           HH       TYR   1   7.485  -2.122  -1.839
   10    H    ALA   2           H        ALA   2   1.677  -5.046  -5.305
   11    HA   ALA   2           HA       ALA   2   2.461  -2.628  -6.794
   12    HB1  ALA   2           1HB      ALA   2   4.152  -3.761  -7.786
   13    HB2  ALA   2           2HB      ALA   2   4.039  -4.732  -6.318
   14    HB3  ALA   2           3HB      ALA   2   3.267  -5.287  -7.803
   15    H    GLU   3           H        GLU   3   0.562  -2.028  -7.743
   16    HA   GLU   3           HA       GLU   3  -0.665  -3.998  -9.559
   17    HB2  GLU   3           2HB      GLU   3  -2.210  -3.556  -7.758
   18    HB3  GLU   3           3HB      GLU   3  -2.011  -1.821  -7.955
   19    HG2  GLU   3           2HG      GLU   3  -3.092  -1.897 -10.108
   20    HG3  GLU   3           3HG      GLU   3  -3.200  -3.655 -10.023
   21    H    LYS   4           H        LYS   4  -0.647  -0.471  -9.006
   22    HA   LYS   4           HA       LYS   4  -0.091  -0.121 -11.877
   23    HB2  LYS   4           2HB      LYS   4  -2.478   0.469 -10.917
   24    HB3  LYS   4           3HB      LYS   4  -1.662   1.930 -10.374
   25    HG2  LYS   4           2HG      LYS   4  -0.853   2.075 -12.839
   26    HG3  LYS   4           3HG      LYS   4  -2.208   0.988 -13.151
   27    HD2  LYS   4           2HD      LYS   4  -2.698   3.410 -11.495
   28    HD3  LYS   4           3HD      LYS   4  -2.489   3.618 -13.235
   29    HE2  LYS   4           2HE      LYS   4  -4.746   3.288 -13.156
   30    HE3  LYS   4           3HE      LYS   4  -4.210   1.617 -13.324
   31    HZ1  LYS   4           3HZ      LYS   4  -4.882   1.108 -11.259
   32    HZ2  LYS   4           1HZ      LYS   4  -5.872   2.471 -11.417
   33    HZ3  LYS   4           2HZ      LYS   4  -4.396   2.588 -10.601
   34    H    VAL   5           H        VAL   5   1.791  -0.226  -9.694
   35    HA   VAL   5           HA       VAL   5   2.764   2.558  -9.709
   36    HB   VAL   5           HB       VAL   5   2.213   1.721  -7.447
   37   HG11  VAL   5          1HG1      VAL   5   3.145  -0.669  -8.263
   38   HG12  VAL   5          2HG1      VAL   5   4.553  -0.073  -7.382
   39   HG13  VAL   5          3HG1      VAL   5   2.993  -0.207  -6.568
   40   HG21  VAL   5          3HG2      VAL   5   4.142   3.331  -8.030
   41   HG22  VAL   5          1HG2      VAL   5   4.093   2.625  -6.414
   42   HG23  VAL   5          2HG2      VAL   5   5.194   1.974  -7.628
   43    H    ALA   6           H        ALA   6   3.527  -0.799 -10.266
   44    HA   ALA   6           HA       ALA   6   6.322  -0.206 -10.838
   45    HB1  ALA   6           1HB      ALA   6   4.734  -2.637 -10.354
   46    HB2  ALA   6           2HB      ALA   6   6.046  -2.802 -11.521
   47    HB3  ALA   6           3HB      ALA   6   6.388  -2.245  -9.883
   48    H    GLN   7           H        GLN   7   3.341  -1.006 -12.510
   49    HA   GLN   7           HA       GLN   7   4.486  -1.503 -15.052
   50    HB2  GLN   7           2HB      GLN   7   2.260  -1.410 -15.908
   51    HB3  GLN   7           3HB      GLN   7   2.174  -2.164 -14.321
   52    HG2  GLN   7           2HG      GLN   7   1.408  -0.079 -13.346
   53    HG3  GLN   7           3HG      GLN   7   1.547   0.720 -14.912
   54   HE21  GLN   7          1HE2      GLN   7  -0.464   1.165 -15.499
   55   HE22  GLN   7          2HE2      GLN   7  -1.768   0.034 -15.559
   56    H    GLU   8           H        GLU   8   3.680   1.395 -13.330
   57    HA   GLU   8           HA       GLU   8   3.343   3.239 -15.356
   58    HB2  GLU   8           2HB      GLU   8   4.488   3.396 -12.599
   59    HB3  GLU   8           3HB      GLU   8   4.631   4.793 -13.657
   60    HG2  GLU   8           2HG      GLU   8   2.004   3.450 -13.112
   61    HG3  GLU   8           3HG      GLU   8   2.645   4.737 -12.092
   62    H    LYS   9           H        LYS   9   6.257   1.658 -14.279
   63    HA   LYS   9           HA       LYS   9   7.748   3.077 -16.386
   64    HB2  LYS   9           2HB      LYS   9   8.539   2.433 -13.571
   65    HB3  LYS   9           3HB      LYS   9   9.775   2.504 -14.820
   66    HG2  LYS   9           2HG      LYS   9   9.847   4.652 -14.086
   67    HG3  LYS   9           3HG      LYS   9   8.622   4.816 -15.347
   68    HD2  LYS   9           2HD      LYS   9   6.856   4.708 -13.727
   69    HD3  LYS   9           3HD      LYS   9   7.997   4.315 -12.439
   70    HE2  LYS   9           2HE      LYS   9   9.089   6.532 -12.861
   71    HE3  LYS   9           3HE      LYS   9   7.757   6.909 -13.953
   72    HZ1  LYS   9           3HZ      LYS   9   7.669   7.631 -11.470
   73    HZ2  LYS   9           1HZ      LYS   9   7.150   6.041 -11.215
   74    HZ3  LYS   9           2HZ      LYS   9   6.272   7.064 -12.237
   75    H    GLY  10           H        GLY  10   8.497   0.330 -14.248
   76    HA2  GLY  10           2HA      GLY  10   8.075  -1.759 -16.001
   77    HA3  GLY  10           3HA      GLY  10   9.681  -1.153 -16.378
   78    H    PHE  11           H        PHE  11  11.063  -2.602 -15.577
   79    HA   PHE  11           HA       PHE  11  10.567  -3.716 -12.912
   80    HB2  PHE  11           2HB      PHE  11  10.991  -5.330 -14.714
   81    HB3  PHE  11           3HB      PHE  11  12.542  -4.564 -15.041
   82    HD1  PHE  11           HD1      PHE  11  10.664  -6.129 -12.226
   83    HD2  PHE  11           HD2      PHE  11  14.430  -5.469 -14.096
   84    HE1  PHE  11           HE1      PHE  11  11.737  -7.614 -10.582
   85    HE2  PHE  11           HE2      PHE  11  15.508  -6.953 -12.457
   86    HZ   PHE  11           HZ       PHE  11  14.162  -8.028 -10.697
   87    H    LEU  12           H        LEU  12  13.251  -2.350 -14.816
   88    HA   LEU  12           HA       LEU  12  15.143  -2.146 -12.818
   89    HB2  LEU  12           2HB      LEU  12  14.697  -0.095 -14.977
   90    HB3  LEU  12           3HB      LEU  12  16.206  -0.451 -14.140
   91    HG   LEU  12           HG       LEU  12  14.780  -2.325 -16.028
   92   HD11  LEU  12          1HD1      LEU  12  17.391  -0.955 -16.549
   93   HD12  LEU  12          2HD1      LEU  12  15.861  -0.181 -16.958
   94   HD13  LEU  12          3HD1      LEU  12  16.289  -1.728 -17.689
   95   HD21  LEU  12          3HD2      LEU  12  17.241  -3.299 -15.881
   96   HD22  LEU  12          1HD2      LEU  12  15.978  -3.776 -14.746
   97   HD23  LEU  12          2HD2      LEU  12  17.168  -2.561 -14.280
   98    H    TYR  13           H        TYR  13  12.457   0.011 -13.551
   99    HA   TYR  13           HA       TYR  13  13.129   2.178 -11.948
  100    HB2  TYR  13           2HB      TYR  13  11.272   2.354 -13.450
  101    HB3  TYR  13           3HB      TYR  13  10.430   1.024 -12.663
  102    HD1  TYR  13           HD1      TYR  13  11.447   4.552 -12.324
  103    HD2  TYR  13           HD2      TYR  13   9.129   1.381 -10.689
  104    HE1  TYR  13           HE1      TYR  13  10.284   6.160 -10.870
  105    HE2  TYR  13           HE2      TYR  13   7.959   2.980  -9.231
  106    HH   TYR  13           HH       TYR  13   8.222   5.153  -8.298
  107    H    ARG  14           H        ARG  14  11.215  -0.700 -11.096
  108    HA   ARG  14           HA       ARG  14  10.627  -0.072  -8.468
  109    HB2  ARG  14           2HB      ARG  14  11.243  -2.784  -9.654
  110    HB3  ARG  14           3HB      ARG  14  10.480  -2.522  -8.091
  111    HG2  ARG  14           2HG      ARG  14   8.549  -1.568  -9.106
  112    HG3  ARG  14           3HG      ARG  14   9.332  -1.530 -10.687
  113    HD2  ARG  14           2HD      ARG  14   8.105  -3.432 -10.936
  114    HD3  ARG  14           3HD      ARG  14   9.559  -4.128 -10.221
  115    HE   ARG  14           HE       ARG  14   7.576  -3.357  -8.289
  116   HH11  ARG  14          1HH1      ARG  14   8.659  -5.878 -10.432
  117   HH12  ARG  14          2HH1      ARG  14   7.900  -7.149  -9.532
  118   HH21  ARG  14          1HH2      ARG  14   6.573  -5.021  -7.095
  119   HH22  ARG  14          2HH2      ARG  14   6.713  -6.660  -7.634
  120    H    LEU  15           H        LEU  15  13.624  -1.177  -9.864
  121    HA   LEU  15           HA       LEU  15  14.885  -1.943  -7.435
  122    HB2  LEU  15           2HB      LEU  15  16.231  -0.999  -9.956
  123    HB3  LEU  15           3HB      LEU  15  16.913  -2.026  -8.696
  124    HG   LEU  15           HG       LEU  15  14.747  -2.779 -10.656
  125   HD11  LEU  15          1HD1      LEU  15  16.438  -4.408 -11.429
  126   HD12  LEU  15          2HD1      LEU  15  17.614  -3.656 -10.350
  127   HD13  LEU  15          3HD1      LEU  15  16.923  -2.731 -11.683
  128   HD21  LEU  15          3HD2      LEU  15  14.801  -4.976  -9.657
  129   HD22  LEU  15          1HD2      LEU  15  14.404  -3.779  -8.423
  130   HD23  LEU  15          2HD2      LEU  15  16.030  -4.456  -8.503
  131    H    THR  16           H        THR  16  14.427  -0.208  -6.006
  132    HA   THR  16           HA       THR  16  16.382   1.941  -6.188
  133    HB   THR  16           HB       THR  16  14.659   3.653  -5.554
  134    HG1  THR  16           HG1      THR  16  12.722   1.904  -6.632
  135   HG21  THR  16          3HG2      THR  16  14.439   2.309  -8.246
  136   HG22  THR  16          1HG2      THR  16  15.491   3.653  -7.803
  137   HG23  THR  16          2HG2      THR  16  13.744   3.886  -7.874
  138    H    SER  17           H        SER  17  16.617   3.123  -4.150
  139    HA   SER  17           HA       SER  17  16.799   1.422  -1.944
  140    HB2  SER  17           2HB      SER  17  17.939   3.739  -2.464
  141    HB3  SER  17           3HB      SER  17  16.579   4.383  -1.545
  142    HG   SER  17           HG       SER  17  17.969   3.970   0.028
  143    H    ARG  18           H        ARG  18  14.463   4.034  -2.581
  144    HA   ARG  18           HA       ARG  18  12.945   3.794  -0.272
  145    HB2  ARG  18           2HB      ARG  18  12.382   4.767  -3.039
  146    HB3  ARG  18           3HB      ARG  18  11.034   4.569  -1.926
  147    HG2  ARG  18           2HG      ARG  18  11.759   6.832  -1.815
  148    HG3  ARG  18           3HG      ARG  18  12.240   6.037  -0.315
  149    HD2  ARG  18           2HD      ARG  18  14.489   5.968  -0.934
  150    HD3  ARG  18           3HD      ARG  18  14.122   6.222  -2.640
  151    HE   ARG  18           HE       ARG  18  13.280   8.472  -1.202
  152   HH11  ARG  18          1HH1      ARG  18  16.219   6.844  -2.116
  153   HH12  ARG  18          2HH1      ARG  18  17.174   8.289  -2.115
  154   HH21  ARG  18          1HH2      ARG  18  14.528  10.382  -1.198
  155   HH22  ARG  18          2HH2      ARG  18  16.211  10.301  -1.592
  156    H    TYR  19           H        TYR  19  12.352   2.255  -3.433
  157    HA   TYR  19           HA       TYR  19  10.107   0.785  -2.761
  158    HB2  TYR  19           2HB      TYR  19  10.799   0.910  -5.051
  159    HB3  TYR  19           3HB      TYR  19  12.346   0.153  -4.688
  160    HD1  TYR  19           HD1      TYR  19   8.734  -0.434  -5.088
  161    HD2  TYR  19           HD2      TYR  19  12.545  -2.231  -4.490
  162    HE1  TYR  19           HE1      TYR  19   7.771  -2.637  -5.610
  163    HE2  TYR  19           HE2      TYR  19  11.593  -4.438  -5.011
  164    HH   TYR  19           HH       TYR  19   9.258  -5.506  -4.905
  165    H    ARG  20           H        ARG  20  13.508  -0.268  -2.615
  166    HA   ARG  20           HA       ARG  20  13.050  -2.812  -1.565
  167    HB2  ARG  20           2HB      ARG  20  15.404  -0.942  -1.350
  168    HB3  ARG  20           3HB      ARG  20  15.424  -2.558  -0.656
  169    HG2  ARG  20           2HG      ARG  20  14.674  -3.219  -3.108
  170    HG3  ARG  20           3HG      ARG  20  15.499  -1.707  -3.492
  171    HD2  ARG  20           2HD      ARG  20  17.024  -3.598  -3.663
  172    HD3  ARG  20           3HD      ARG  20  17.509  -2.514  -2.360
  173    HE   ARG  20           HE       ARG  20  17.170  -4.219  -0.880
  174   HH11  ARG  20          1HH1      ARG  20  15.511  -4.963  -3.848
  175   HH12  ARG  20          2HH1      ARG  20  15.070  -6.563  -3.354
  176   HH21  ARG  20          1HH2      ARG  20  16.596  -6.325  -0.217
  177   HH22  ARG  20          2HH2      ARG  20  15.687  -7.337  -1.288
  178    H    HIS  21           H        HIS  21  13.341   0.312   0.024
  179    HA   HIS  21           HA       HIS  21  13.430  -0.722   2.678
  180    HB2  HIS  21           2HB      HIS  21  14.162   1.603   1.845
  181    HB3  HIS  21           3HB      HIS  21  12.457   2.032   1.946
  182    HD1  HIS  21           HD1      HIS  21  14.945   0.351   4.301
  183    HD2  HIS  21           HD2      HIS  21  11.938   3.218   4.304
  184    HE1  HIS  21           HE1      HIS  21  14.826   1.198   6.666
  185    H    TYR  22           H        TYR  22  10.893   0.010   0.433
  186    HA   TYR  22           HA       TYR  22   8.812   0.030   2.438
  187    HB2  TYR  22           2HB      TYR  22   8.833   0.198  -0.565
  188    HB3  TYR  22           3HB      TYR  22   7.329  -0.013   0.325
  189    HD1  TYR  22           HD2      TYR  22   7.563   1.701   2.612
  190    HD2  TYR  22           HD1      TYR  22   8.947   2.363  -1.357
  191    HE1  TYR  22           HE2      TYR  22   7.437   4.130   2.979
  192    HE2  TYR  22           HE1      TYR  22   8.826   4.794  -1.000
  193    HH   TYR  22           HH       TYR  22   7.207   6.295   0.905
  194    H    ALA  23           H        ALA  23   9.931  -2.152  -0.122
  195    HA   ALA  23           HA       ALA  23   7.980  -4.162   0.396
  196    HB1  ALA  23           1HB      ALA  23  10.626  -4.665  -0.928
  197    HB2  ALA  23           2HB      ALA  23   9.074  -5.453  -1.219
  198    HB3  ALA  23           3HB      ALA  23   9.331  -3.789  -1.745
  199    H    ALA  24           H        ALA  24  11.061  -3.368   1.761
  200    HA   ALA  24           HA       ALA  24  11.300  -5.955   3.090
  201    HB1  ALA  24           1HB      ALA  24  13.313  -4.950   2.128
  202    HB2  ALA  24           2HB      ALA  24  13.123  -3.554   3.190
  203    HB3  ALA  24           3HB      ALA  24  13.458  -5.144   3.875
  204    H    PHE  25           H        PHE  25   9.259  -3.712   3.653
  205    HA   PHE  25           HA       PHE  25   9.541  -3.855   6.564
  206    HB2  PHE  25           2HB      PHE  25   9.380  -1.376   4.912
  207    HB3  PHE  25           3HB      PHE  25   8.538  -1.399   6.458
  208    HD1  PHE  25           HD2      PHE  25  11.872  -2.175   4.986
  209    HD2  PHE  25           HD1      PHE  25   9.679  -0.777   8.355
  210    HE1  PHE  25           HE2      PHE  25  13.982  -1.649   6.137
  211    HE2  PHE  25           HE1      PHE  25  11.786  -0.247   9.511
  212    HZ   PHE  25           HZ       PHE  25  13.941  -0.685   8.402
  213    H    GLU  26           H        GLU  26   7.401  -2.664   3.971
  214    HA   GLU  26           HA       GLU  26   4.997  -2.769   5.316
  215    HB2  GLU  26           2HB      GLU  26   5.773  -3.040   2.449
  216    HB3  GLU  26           3HB      GLU  26   4.118  -3.422   2.900
  217    HG2  GLU  26           2HG      GLU  26   5.117  -0.897   3.991
  218    HG3  GLU  26           3HG      GLU  26   5.024  -0.954   2.232
  219    H    ARG  27           H        ARG  27   6.532  -5.365   3.430
  220    HA   ARG  27           HA       ARG  27   4.903  -7.297   4.937
  221    HB2  ARG  27           2HB      ARG  27   5.274  -7.035   1.993
  222    HB3  ARG  27           3HB      ARG  27   5.197  -8.658   2.666
  223    HG2  ARG  27           2HG      ARG  27   3.006  -8.419   3.345
  224    HG3  ARG  27           3HG      ARG  27   3.102  -6.657   3.380
  225    HD2  ARG  27           2HD      ARG  27   1.842  -7.040   1.480
  226    HD3  ARG  27           3HD      ARG  27   3.471  -6.881   0.822
  227    HE   ARG  27           HE       ARG  27   3.085  -9.572   1.335
  228   HH11  ARG  27          1HH1      ARG  27   1.661  -7.110  -0.673
  229   HH12  ARG  27          2HH1      ARG  27   1.178  -8.218  -1.914
  230   HH21  ARG  27          1HH2      ARG  27   2.454 -11.041  -0.292
  231   HH22  ARG  27          2HH2      ARG  27   1.628 -10.454  -1.696
  232    H    ALA  28           H        ALA  28   7.867  -6.662   3.138
  233    HA   ALA  28           HA       ALA  28   9.962  -7.540   3.278
  234    HB1  ALA  28           1HB      ALA  28  10.310  -8.873   5.561
  235    HB2  ALA  28           2HB      ALA  28  10.280  -7.111   5.483
  236    HB3  ALA  28           3HB      ALA  28   8.837  -7.997   5.978
  237    H    THR  29           H        THR  29   7.530  -9.180   2.379
  238    HA   THR  29           HA       THR  29   8.465 -11.900   2.819
  239    HB   THR  29           HB       THR  29   6.185 -11.111   1.018
  240    HG1  THR  29           HG1      THR  29   5.768 -11.773   3.722
  241   HG21  THR  29          3HG2      THR  29   7.274 -13.584   2.112
  242   HG22  THR  29          1HG2      THR  29   6.173 -13.337   0.758
  243   HG23  THR  29          2HG2      THR  29   5.544 -13.407   2.404
  244    H    PHE  30           H        PHE  30   9.693  -9.637   1.023
  245    HA   PHE  30           HA       PHE  30  10.113 -11.380  -1.316
  246    HB2  PHE  30           2HB      PHE  30  10.488  -8.421  -1.523
  247    HB3  PHE  30           3HB      PHE  30  10.051  -9.583  -2.771
  248    HD1  PHE  30           HD1      PHE  30   8.808  -7.545   0.010
  249    HD2  PHE  30           HD2      PHE  30   7.767 -10.208  -3.143
  250    HE1  PHE  30           HE1      PHE  30   6.441  -6.926   0.273
  251    HE2  PHE  30           HE2      PHE  30   5.399  -9.594  -2.885
  252    HZ   PHE  30           HZ       PHE  30   4.733  -7.950  -1.176
  Start of MODEL   19
    1    H1   TYR   1           H        TYR   1  -0.361  -5.630  -3.287
    2    HA   TYR   1           HA       TYR   1   1.143  -3.588  -2.028
    3    HB2  TYR   1           2HB      TYR   1   2.062  -5.810  -2.642
    4    HB3  TYR   1           3HB      TYR   1   1.955  -5.361  -4.341
    5    HD1  TYR   1           HD2      TYR   1   3.467  -4.190  -1.135
    6    HD2  TYR   1           HD1      TYR   1   3.799  -4.408  -5.371
    7    HE1  TYR   1           HE2      TYR   1   5.709  -3.186  -1.005
    8    HE2  TYR   1           HE1      TYR   1   6.042  -3.406  -5.253
    9    HH   TYR   1           HH       TYR   1   7.280  -1.860  -3.559
   10    H    ALA   2           H        ALA   2   2.382  -1.907  -3.030
   11    HA   ALA   2           HA       ALA   2   0.929  -0.215  -4.687
   12    HB1  ALA   2           1HB      ALA   2   2.731   1.224  -4.611
   13    HB2  ALA   2           2HB      ALA   2   2.996   0.236  -3.174
   14    HB3  ALA   2           3HB      ALA   2   3.913  -0.084  -4.646
   15    H    GLU   3           H        GLU   3   0.224  -0.920  -6.629
   16    HA   GLU   3           HA       GLU   3   2.049  -2.304  -8.429
   17    HB2  GLU   3           2HB      GLU   3  -0.383  -2.982  -8.055
   18    HB3  GLU   3           3HB      GLU   3  -0.817  -1.557  -8.989
   19    HG2  GLU   3           2HG      GLU   3   0.156  -2.403 -10.944
   20    HG3  GLU   3           3HG      GLU   3   1.045  -3.644 -10.064
   21    H    LYS   4           H        LYS   4   0.626   0.819  -7.962
   22    HA   LYS   4           HA       LYS   4   0.889   1.857 -10.562
   23    HB2  LYS   4           2HB      LYS   4   0.870   4.081  -9.433
   24    HB3  LYS   4           3HB      LYS   4  -0.445   3.023  -8.937
   25    HG2  LYS   4           2HG      LYS   4   0.570   2.577  -6.853
   26    HG3  LYS   4           3HG      LYS   4   2.102   3.288  -7.366
   27    HD2  LYS   4           2HD      LYS   4   1.168   5.483  -7.370
   28    HD3  LYS   4           3HD      LYS   4  -0.465   4.852  -7.146
   29    HE2  LYS   4           2HE      LYS   4  -0.046   4.247  -4.923
   30    HE3  LYS   4           3HE      LYS   4   1.702   4.342  -5.133
   31    HZ1  LYS   4           3HZ      LYS   4  -0.243   6.535  -4.825
   32    HZ2  LYS   4           1HZ      LYS   4   1.241   6.814  -5.588
   33    HZ3  LYS   4           2HZ      LYS   4   1.203   6.267  -3.988
   34    H    VAL   5           H        VAL   5   3.204   1.269  -8.054
   35    HA   VAL   5           HA       VAL   5   5.284   2.547  -9.708
   36    HB   VAL   5           HB       VAL   5   6.599   2.854  -7.627
   37   HG11  VAL   5          1HG1      VAL   5   4.532   4.396  -8.610
   38   HG12  VAL   5          2HG1      VAL   5   4.207   4.322  -6.877
   39   HG13  VAL   5          3HG1      VAL   5   5.763   4.915  -7.459
   40   HG21  VAL   5          3HG2      VAL   5   5.088   1.028  -6.468
   41   HG22  VAL   5          1HG2      VAL   5   5.845   2.319  -5.535
   42   HG23  VAL   5          2HG2      VAL   5   4.147   2.442  -5.993
   43    H    ALA   6           H        ALA   6   4.542  -0.030 -10.262
   44    HA   ALA   6           HA       ALA   6   6.898  -1.531  -9.345
   45    HB1  ALA   6           1HB      ALA   6   4.113  -2.209  -8.935
   46    HB2  ALA   6           2HB      ALA   6   4.977  -3.473  -9.813
   47    HB3  ALA   6           3HB      ALA   6   5.565  -2.931  -8.241
   48    H    GLN   7           H        GLN   7   4.189  -1.816 -11.656
   49    HA   GLN   7           HA       GLN   7   6.165  -2.529 -13.721
   50    HB2  GLN   7           2HB      GLN   7   4.355  -3.791 -14.829
   51    HB3  GLN   7           3HB      GLN   7   4.711  -4.406 -13.221
   52    HG2  GLN   7           2HG      GLN   7   2.771  -3.137 -12.356
   53    HG3  GLN   7           3HG      GLN   7   2.389  -2.665 -14.011
   54   HE21  GLN   7          1HE2      GLN   7   0.342  -3.707 -13.585
   55   HE22  GLN   7          2HE2      GLN   7   0.204  -5.419 -13.773
   56    H    GLU   8           H        GLU   8   3.507  -0.491 -12.839
   57    HA   GLU   8           HA       GLU   8   2.619   0.453 -15.276
   58    HB2  GLU   8           2HB      GLU   8   2.843   1.660 -12.553
   59    HB3  GLU   8           3HB      GLU   8   2.406   2.701 -13.901
   60    HG2  GLU   8           2HG      GLU   8   0.942   0.220 -13.032
   61    HG3  GLU   8           3HG      GLU   8   0.435   1.884 -12.749
   62    H    LYS   9           H        LYS   9   5.606   1.122 -13.610
   63    HA   LYS   9           HA       LYS   9   6.311   3.241 -15.489
   64    HB2  LYS   9           2HB      LYS   9   6.807   3.102 -12.883
   65    HB3  LYS   9           3HB      LYS   9   8.227   2.227 -13.440
   66    HG2  LYS   9           2HG      LYS   9   9.013   4.381 -13.333
   67    HG3  LYS   9           3HG      LYS   9   8.529   4.265 -15.027
   68    HD2  LYS   9           2HD      LYS   9   7.497   6.225 -14.527
   69    HD3  LYS   9           3HD      LYS   9   6.222   5.127 -13.992
   70    HE2  LYS   9           2HE      LYS   9   6.735   5.424 -11.748
   71    HE3  LYS   9           3HE      LYS   9   8.370   5.986 -12.094
   72    HZ1  LYS   9           3HZ      LYS   9   6.160   7.545 -11.595
   73    HZ2  LYS   9           1HZ      LYS   9   6.430   7.705 -13.258
   74    HZ3  LYS   9           2HZ      LYS   9   7.664   8.073 -12.161
   75    H    GLY  10           H        GLY  10   7.989   0.345 -14.235
   76    HA2  GLY  10           2HA      GLY  10   8.457  -0.855 -16.716
   77    HA3  GLY  10           3HA      GLY  10   9.819   0.203 -16.380
   78    H    PHE  11           H        PHE  11  11.150  -1.692 -16.353
   79    HA   PHE  11           HA       PHE  11  10.735  -3.544 -14.135
   80    HB2  PHE  11           2HB      PHE  11  11.316  -4.476 -16.335
   81    HB3  PHE  11           3HB      PHE  11  12.817  -3.556 -16.331
   82    HD1  PHE  11           HD1      PHE  11  10.993  -5.968 -14.143
   83    HD2  PHE  11           HD2      PHE  11  14.724  -4.668 -15.725
   84    HE1  PHE  11           HE1      PHE  11  12.123  -7.829 -12.997
   85    HE2  PHE  11           HE2      PHE  11  15.860  -6.528 -14.583
   86    HZ   PHE  11           HZ       PHE  11  14.560  -8.112 -13.217
   87    H    LEU  12           H        LEU  12  13.535  -1.761 -15.447
   88    HA   LEU  12           HA       LEU  12  15.197  -1.988 -13.256
   89    HB2  LEU  12           2HB      LEU  12  15.032   0.481 -14.963
   90    HB3  LEU  12           3HB      LEU  12  16.443  -0.167 -14.131
   91    HG   LEU  12           HG       LEU  12  15.084  -1.327 -16.562
   92   HD11  LEU  12          1HD1      LEU  12  16.910  -0.619 -17.792
   93   HD12  LEU  12          2HD1      LEU  12  17.931  -0.433 -16.366
   94   HD13  LEU  12          3HD1      LEU  12  16.648   0.733 -16.689
   95   HD21  LEU  12          3HD2      LEU  12  17.435  -2.360 -14.977
   96   HD22  LEU  12          1HD2      LEU  12  16.886  -2.994 -16.529
   97   HD23  LEU  12          2HD2      LEU  12  15.847  -3.117 -15.109
   98    H    TYR  13           H        TYR  13  12.552   0.248 -13.804
   99    HA   TYR  13           HA       TYR  13  13.023   2.153 -11.864
  100    HB2  TYR  13           2HB      TYR  13  11.188   2.433 -13.376
  101    HB3  TYR  13           3HB      TYR  13  10.420   0.952 -12.814
  102    HD1  TYR  13           HD2      TYR  13  11.329   4.400 -11.796
  103    HD2  TYR  13           HD1      TYR  13   8.926   0.982 -10.991
  104    HE1  TYR  13           HE2      TYR  13  10.037   5.701 -10.156
  105    HE2  TYR  13           HE1      TYR  13   7.627   2.274  -9.350
  106    HH   TYR  13           HH       TYR  13   8.530   5.568  -8.475
  107    H    ARG  14           H        ARG  14  11.220  -0.897 -11.483
  108    HA   ARG  14           HA       ARG  14  10.625  -0.670  -8.782
  109    HB2  ARG  14           2HB      ARG  14  10.142  -2.536 -10.691
  110    HB3  ARG  14           3HB      ARG  14  11.336  -3.379  -9.715
  111    HG2  ARG  14           2HG      ARG  14   9.976  -3.374  -7.825
  112    HG3  ARG  14           3HG      ARG  14   8.947  -2.088  -8.457
  113    HD2  ARG  14           2HD      ARG  14   7.670  -3.518  -9.634
  114    HD3  ARG  14           3HD      ARG  14   9.048  -4.507 -10.114
  115    HE   ARG  14           HE       ARG  14   8.771  -5.124  -7.511
  116   HH11  ARG  14          1HH1      ARG  14   6.504  -4.994 -10.150
  117   HH12  ARG  14          2HH1      ARG  14   5.487  -6.243  -9.509
  118   HH21  ARG  14          1HH2      ARG  14   7.441  -6.769  -6.657
  119   HH22  ARG  14          2HH2      ARG  14   6.021  -7.251  -7.522
  120    H    LEU  15           H        LEU  15  13.624  -1.429 -10.343
  121    HA   LEU  15           HA       LEU  15  14.865  -2.489  -7.958
  122    HB2  LEU  15           2HB      LEU  15  16.240  -1.612 -10.484
  123    HB3  LEU  15           3HB      LEU  15  16.825  -2.748  -9.271
  124    HG   LEU  15           HG       LEU  15  14.472  -3.256 -11.089
  125   HD11  LEU  15          1HD1      LEU  15  17.260  -4.376 -11.299
  126   HD12  LEU  15          2HD1      LEU  15  16.648  -3.050 -12.288
  127   HD13  LEU  15          3HD1      LEU  15  15.907  -4.646 -12.397
  128   HD21  LEU  15          3HD2      LEU  15  14.462  -4.459  -8.928
  129   HD22  LEU  15          1HD2      LEU  15  16.043  -5.132  -9.327
  130   HD23  LEU  15          2HD2      LEU  15  14.639  -5.534 -10.316
  131    H    THR  16           H        THR  16  13.954  -0.213  -7.087
  132    HA   THR  16           HA       THR  16  16.200   1.692  -7.197
  133    HB   THR  16           HB       THR  16  14.439   3.327  -6.252
  134    HG1  THR  16           HG1      THR  16  12.338   2.769  -6.521
  135   HG21  THR  16          3HG2      THR  16  13.397   3.354  -8.747
  136   HG22  THR  16          1HG2      THR  16  14.834   2.366  -9.013
  137   HG23  THR  16          2HG2      THR  16  14.991   3.990  -8.343
  138    H    SER  17           H        SER  17  16.087   3.146  -5.082
  139    HA   SER  17           HA       SER  17  16.691   1.361  -2.919
  140    HB2  SER  17           2HB      SER  17  17.788   3.663  -3.555
  141    HB3  SER  17           3HB      SER  17  16.495   4.331  -2.561
  142    HG   SER  17           HG       SER  17  18.383   3.904  -1.340
  143    H    ARG  18           H        ARG  18  14.045   3.471  -3.789
  144    HA   ARG  18           HA       ARG  18  12.773   3.491  -1.247
  145    HB2  ARG  18           2HB      ARG  18  11.396   3.853  -3.904
  146    HB3  ARG  18           3HB      ARG  18  10.928   4.515  -2.344
  147    HG2  ARG  18           2HG      ARG  18  13.332   5.297  -3.979
  148    HG3  ARG  18           3HG      ARG  18  11.869   6.249  -3.722
  149    HD2  ARG  18           2HD      ARG  18  13.907   5.447  -1.650
  150    HD3  ARG  18           3HD      ARG  18  13.613   7.069  -2.277
  151    HE   ARG  18           HE       ARG  18  11.213   6.324  -1.243
  152   HH11  ARG  18          1HH1      ARG  18  14.459   6.468   0.006
  153   HH12  ARG  18          2HH1      ARG  18  13.958   6.786   1.634
  154   HH21  ARG  18          1HH2      ARG  18  10.540   6.742   0.896
  155   HH22  ARG  18          2HH2      ARG  18  11.728   6.941   2.139
  156    H    TYR  19           H        TYR  19  12.392   1.511  -4.157
  157    HA   TYR  19           HA       TYR  19  10.150   0.050  -3.421
  158    HB2  TYR  19           2HB      TYR  19  11.001  -0.139  -5.651
  159    HB3  TYR  19           3HB      TYR  19  12.552  -0.740  -5.074
  160    HD1  TYR  19           HD2      TYR  19   8.927  -1.609  -5.134
  161    HD2  TYR  19           HD1      TYR  19  12.933  -3.033  -4.975
  162    HE1  TYR  19           HE2      TYR  19   8.110  -3.917  -5.364
  163    HE2  TYR  19           HE1      TYR  19  12.127  -5.345  -5.205
  164    HH   TYR  19           HH       TYR  19   9.606  -6.487  -4.567
  165    H    ARG  20           H        ARG  20  13.433  -0.181  -2.306
  166    HA   ARG  20           HA       ARG  20  13.201  -2.784  -1.151
  167    HB2  ARG  20           2HB      ARG  20  15.167  -0.634  -0.366
  168    HB3  ARG  20           3HB      ARG  20  15.348  -2.374  -0.186
  169    HG2  ARG  20           2HG      ARG  20  15.013  -2.199  -2.855
  170    HG3  ARG  20           3HG      ARG  20  15.800  -0.654  -2.525
  171    HD2  ARG  20           2HD      ARG  20  16.897  -3.178  -1.356
  172    HD3  ARG  20           3HD      ARG  20  17.241  -2.761  -3.035
  173    HE   ARG  20           HE       ARG  20  17.780  -0.608  -1.230
  174   HH11  ARG  20          1HH1      ARG  20  19.049  -3.561  -2.568
  175   HH12  ARG  20          2HH1      ARG  20  20.705  -3.114  -2.322
  176   HH21  ARG  20          1HH2      ARG  20  19.956  -0.008  -0.901
  177   HH22  ARG  20          2HH2      ARG  20  21.219  -1.094  -1.372
  178    H    HIS  21           H        HIS  21  12.496   0.460  -0.109
  179    HA   HIS  21           HA       HIS  21  12.190  -0.316   2.672
  180    HB2  HIS  21           2HB      HIS  21  12.046   2.254   1.152
  181    HB3  HIS  21           3HB      HIS  21  11.250   2.153   2.720
  182    HD1  HIS  21           HD1      HIS  21  13.155   0.788   4.492
  183    HD2  HIS  21           HD2      HIS  21  14.446   3.410   1.540
  184    HE1  HIS  21           HE1      HIS  21  15.439   1.548   5.220
  185    H    TYR  22           H        TYR  22  10.240   0.116  -0.159
  186    HA   TYR  22           HA       TYR  22   7.745   0.233   1.295
  187    HB2  TYR  22           2HB      TYR  22   8.410   0.039  -1.643
  188    HB3  TYR  22           3HB      TYR  22   6.758   0.026  -1.035
  189    HD1  TYR  22           HD2      TYR  22   6.616   2.038   0.960
  190    HD2  TYR  22           HD1      TYR  22   8.896   2.062  -2.632
  191    HE1  TYR  22           HE2      TYR  22   6.597   4.498   0.971
  192    HE2  TYR  22           HE1      TYR  22   8.884   4.521  -2.631
  193    HH   TYR  22           HH       TYR  22   8.208   6.359  -1.593
  194    H    ALA  23           H        ALA  23   9.481  -2.126  -0.703
  195    HA   ALA  23           HA       ALA  23   7.497  -4.157  -0.469
  196    HB1  ALA  23           1HB      ALA  23   9.376  -3.889  -2.228
  197    HB2  ALA  23           2HB      ALA  23  10.373  -4.743  -1.049
  198    HB3  ALA  23           3HB      ALA  23   8.922  -5.508  -1.697
  199    H    ALA  24           H        ALA  24  10.152  -3.121   1.500
  200    HA   ALA  24           HA       ALA  24  10.106  -5.564   3.096
  201    HB1  ALA  24           1HB      ALA  24  12.275  -4.580   2.543
  202    HB2  ALA  24           2HB      ALA  24  11.817  -3.097   3.381
  203    HB3  ALA  24           3HB      ALA  24  12.001  -4.599   4.286
  204    H    PHE  25           H        PHE  25   7.954  -3.362   2.939
  205    HA   PHE  25           HA       PHE  25   7.539  -3.224   5.834
  206    HB2  PHE  25           2HB      PHE  25   7.734  -0.917   3.953
  207    HB3  PHE  25           3HB      PHE  25   6.548  -0.830   5.251
  208    HD1  PHE  25           HD1      PHE  25  10.149  -1.606   4.690
  209    HD2  PHE  25           HD2      PHE  25   7.195   0.009   7.294
  210    HE1  PHE  25           HE1      PHE  25  11.916  -0.894   6.247
  211    HE2  PHE  25           HE2      PHE  25   8.957   0.725   8.855
  212    HZ   PHE  25           HZ       PHE  25  11.321   0.275   8.332
  213    H    GLU  26           H        GLU  26   6.056  -2.361   2.707
  214    HA   GLU  26           HA       GLU  26   3.403  -2.438   3.453
  215    HB2  GLU  26           2HB      GLU  26   4.843  -2.941   0.889
  216    HB3  GLU  26           3HB      GLU  26   3.134  -3.343   0.975
  217    HG2  GLU  26           2HG      GLU  26   3.821  -0.689   2.009
  218    HG3  GLU  26           3HG      GLU  26   4.122  -0.918   0.288
  219    H    ARG  27           H        ARG  27   5.374  -5.134   2.223
  220    HA   ARG  27           HA       ARG  27   3.468  -6.982   3.493
  221    HB2  ARG  27           2HB      ARG  27   4.532  -6.977   0.711
  222    HB3  ARG  27           3HB      ARG  27   4.318  -8.532   1.503
  223    HG2  ARG  27           2HG      ARG  27   2.124  -6.489   1.333
  224    HG3  ARG  27           3HG      ARG  27   2.396  -7.711   0.089
  225    HD2  ARG  27           2HD      ARG  27   1.855  -8.253   3.007
  226    HD3  ARG  27           3HD      ARG  27   0.684  -8.410   1.698
  227    HE   ARG  27           HE       ARG  27   2.860  -9.995   1.032
  228   HH11  ARG  27          1HH1      ARG  27   0.447  -9.834   3.536
  229   HH12  ARG  27          2HH1      ARG  27   0.448 -11.542   3.828
  230   HH21  ARG  27          1HH2      ARG  27   2.870 -12.245   1.407
  231   HH22  ARG  27          2HH2      ARG  27   1.827 -12.912   2.617
  232    H    ALA  28           H        ALA  28   6.767  -6.386   2.409
  233    HA   ALA  28           HA       ALA  28   8.781  -7.166   3.126
  234    HB1  ALA  28           1HB      ALA  28   8.524  -6.520   5.291
  235    HB2  ALA  28           2HB      ALA  28   7.045  -7.456   5.513
  236    HB3  ALA  28           3HB      ALA  28   8.613  -8.264   5.538
  237    H    THR  29           H        THR  29   6.671  -8.975   1.828
  238    HA   THR  29           HA       THR  29   7.516 -11.607   2.736
  239    HB   THR  29           HB       THR  29   5.735 -11.069   0.369
  240    HG1  THR  29           HG1      THR  29   4.963 -11.238   3.111
  241   HG21  THR  29          3HG2      THR  29   5.827 -13.308   0.326
  242   HG22  THR  29          1HG2      THR  29   4.810 -13.258   1.765
  243   HG23  THR  29          2HG2      THR  29   6.561 -13.392   1.928
  244    H    PHE  30           H        PHE  30   9.103  -9.460   1.080
  245    HA   PHE  30           HA       PHE  30  10.115 -11.383  -0.909
  246    HB2  PHE  30           2HB      PHE  30  10.476  -8.441  -1.297
  247    HB3  PHE  30           3HB      PHE  30  10.382  -9.724  -2.500
  248    HD1  PHE  30           HD1      PHE  30   8.453  -7.505  -0.311
  249    HD2  PHE  30           HD2      PHE  30   8.273 -10.474  -3.356
  250    HE1  PHE  30           HE1      PHE  30   6.083  -6.966  -0.692
  251    HE2  PHE  30           HE2      PHE  30   5.903  -9.938  -3.743
  252    HZ   PHE  30           HZ       PHE  30   4.806  -8.181  -2.411
  Start of MODEL   20
    1    H1   TYR   1           H        TYR   1   5.944  -6.717  -8.067
    2    HA   TYR   1           HA       TYR   1   3.954  -7.779  -6.279
    3    HB2  TYR   1           2HB      TYR   1   5.918  -6.303  -5.613
    4    HB3  TYR   1           3HB      TYR   1   5.022  -4.957  -6.310
    5    HD1  TYR   1           HD2      TYR   1   2.897  -4.221  -5.285
    6    HD2  TYR   1           HD1      TYR   1   5.304  -7.239  -3.496
    7    HE1  TYR   1           HE2      TYR   1   1.682  -3.926  -3.167
    8    HE2  TYR   1           HE1      TYR   1   4.095  -6.954  -1.373
    9    HH   TYR   1           HH       TYR   1   1.191  -5.302  -1.121
   10    H    ALA   2           H        ALA   2   4.096  -4.731  -8.132
   11    HA   ALA   2           HA       ALA   2   1.287  -5.074  -8.860
   12    HB1  ALA   2           1HB      ALA   2   2.289  -3.114  -6.942
   13    HB2  ALA   2           2HB      ALA   2   1.333  -2.407  -8.245
   14    HB3  ALA   2           3HB      ALA   2   0.643  -3.679  -7.236
   15    H    GLU   3           H        GLU   3   0.599  -3.632 -10.583
   16    HA   GLU   3           HA       GLU   3   2.865  -2.836 -12.283
   17    HB2  GLU   3           2HB      GLU   3   0.144  -3.927 -12.882
   18    HB3  GLU   3           3HB      GLU   3   0.946  -2.918 -14.078
   19    HG2  GLU   3           2HG      GLU   3   2.830  -4.443 -14.139
   20    HG3  GLU   3           3HG      GLU   3   2.086  -5.438 -12.889
   21    H    LYS   4           H        LYS   4  -0.144  -1.779 -10.863
   22    HA   LYS   4           HA       LYS   4  -0.647   0.546 -12.276
   23    HB2  LYS   4           2HB      LYS   4  -1.064  -0.123  -9.365
   24    HB3  LYS   4           3HB      LYS   4  -1.626   1.384 -10.078
   25    HG2  LYS   4           2HG      LYS   4  -3.135   0.256 -11.505
   26    HG3  LYS   4           3HG      LYS   4  -2.409  -1.313 -11.148
   27    HD2  LYS   4           2HD      LYS   4  -4.393  -1.255  -9.887
   28    HD3  LYS   4           3HD      LYS   4  -3.106  -0.901  -8.731
   29    HE2  LYS   4           2HE      LYS   4  -4.571   1.304 -10.137
   30    HE3  LYS   4           3HE      LYS   4  -5.246   0.543  -8.697
   31    HZ1  LYS   4           3HZ      LYS   4  -4.001   1.935  -7.527
   32    HZ2  LYS   4           1HZ      LYS   4  -3.173   2.475  -8.900
   33    HZ3  LYS   4           2HZ      LYS   4  -2.630   1.106  -8.069
   34    H    VAL   5           H        VAL   5   1.830  -0.126  -9.928
   35    HA   VAL   5           HA       VAL   5   2.626   2.699  -9.879
   36    HB   VAL   5           HB       VAL   5   3.723   0.439  -8.204
   37   HG11  VAL   5          1HG1      VAL   5   5.247   2.308  -8.403
   38   HG12  VAL   5          2HG1      VAL   5   3.963   3.437  -7.967
   39   HG13  VAL   5          3HG1      VAL   5   4.556   2.273  -6.781
   40   HG21  VAL   5          3HG2      VAL   5   1.281   2.040  -7.941
   41   HG22  VAL   5          1HG2      VAL   5   1.712   0.495  -7.208
   42   HG23  VAL   5          2HG2      VAL   5   2.290   2.001  -6.496
   43    H    ALA   6           H        ALA   6   3.534  -0.400 -11.100
   44    HA   ALA   6           HA       ALA   6   6.227   0.506 -11.784
   45    HB1  ALA   6           1HB      ALA   6   5.276  -1.939 -11.001
   46    HB2  ALA   6           2HB      ALA   6   5.428  -2.131 -12.748
   47    HB3  ALA   6           3HB      ALA   6   6.827  -1.647 -11.789
   48    H    GLN   7           H        GLN   7   3.716   1.558 -13.033
   49    HA   GLN   7           HA       GLN   7   4.242   0.778 -15.823
   50    HB2  GLN   7           2HB      GLN   7   1.995   1.484 -16.357
   51    HB3  GLN   7           3HB      GLN   7   1.937   0.354 -15.010
   52    HG2  GLN   7           2HG      GLN   7   1.640   2.176 -13.450
   53    HG3  GLN   7           3HG      GLN   7   1.796   3.349 -14.756
   54   HE21  GLN   7          1HE2      GLN   7  -0.317   3.989 -13.780
   55   HE22  GLN   7          2HE2      GLN   7  -1.741   3.241 -14.411
   56    H    GLU   8           H        GLU   8   4.242   3.369 -13.545
   57    HA   GLU   8           HA       GLU   8   4.111   5.563 -15.298
   58    HB2  GLU   8           2HB      GLU   8   5.200   5.148 -12.539
   59    HB3  GLU   8           3HB      GLU   8   5.521   6.659 -13.378
   60    HG2  GLU   8           2HG      GLU   8   2.802   5.515 -12.782
   61    HG3  GLU   8           3HG      GLU   8   3.584   6.840 -11.921
   62    H    LYS   9           H        LYS   9   6.655   3.339 -14.551
   63    HA   LYS   9           HA       LYS   9   8.376   4.695 -16.491
   64    HB2  LYS   9           2HB      LYS   9   9.041   4.106 -13.637
   65    HB3  LYS   9           3HB      LYS   9  10.312   3.977 -14.846
   66    HG2  LYS   9           2HG      LYS   9   8.679   6.444 -14.869
   67    HG3  LYS   9           3HG      LYS   9   9.803   6.226 -13.526
   68    HD2  LYS   9           2HD      LYS   9  11.458   5.588 -15.491
   69    HD3  LYS   9           3HD      LYS   9  10.347   6.590 -16.429
   70    HE2  LYS   9           2HE      LYS   9  10.823   8.496 -15.184
   71    HE3  LYS   9           3HE      LYS   9  11.454   7.569 -13.824
   72    HZ1  LYS   9           3HZ      LYS   9  13.004   7.021 -16.102
   73    HZ2  LYS   9           1HZ      LYS   9  13.479   7.763 -14.657
   74    HZ3  LYS   9           2HZ      LYS   9  12.880   8.700 -15.932
   75    H    GLY  10           H        GLY  10   7.799   1.815 -14.508
   76    HA2  GLY  10           2HA      GLY  10   7.560  -0.230 -15.999
   77    HA3  GLY  10           3HA      GLY  10   9.160   0.210 -16.578
   78    H    PHE  11           H        PHE  11   9.585  -2.052 -15.865
   79    HA   PHE  11           HA       PHE  11   9.585  -2.716 -13.108
   80    HB2  PHE  11           2HB      PHE  11   9.584  -4.432 -14.860
   81    HB3  PHE  11           3HB      PHE  11  11.181  -3.909 -15.385
   82    HD1  PHE  11           HD1      PHE  11   9.422  -5.108 -12.325
   83    HD2  PHE  11           HD2      PHE  11  13.022  -5.035 -14.595
   84    HE1  PHE  11           HE1      PHE  11  10.452  -6.679 -10.735
   85    HE2  PHE  11           HE2      PHE  11  14.057  -6.607 -13.010
   86    HZ   PHE  11           HZ       PHE  11  12.772  -7.431 -11.077
   87    H    LEU  12           H        LEU  12  12.077  -1.498 -15.307
   88    HA   LEU  12           HA       LEU  12  14.302  -1.657 -13.689
   89    HB2  LEU  12           2HB      LEU  12  13.623   0.632 -15.528
   90    HB3  LEU  12           3HB      LEU  12  15.232   0.168 -14.979
   91    HG   LEU  12           HG       LEU  12  13.605  -1.796 -16.530
   92   HD11  LEU  12          1HD1      LEU  12  15.303   0.277 -17.884
   93   HD12  LEU  12          2HD1      LEU  12  13.561   0.469 -17.686
   94   HD13  LEU  12          3HD1      LEU  12  14.199  -0.891 -18.612
   95   HD21  LEU  12          3HD2      LEU  12  15.552  -2.809 -15.925
   96   HD22  LEU  12          1HD2      LEU  12  16.454  -1.294 -15.865
   97   HD23  LEU  12          2HD2      LEU  12  16.092  -2.044 -17.420
   98    H    TYR  13           H        TYR  13  11.620   0.566 -13.521
   99    HA   TYR  13           HA       TYR  13  12.838   2.482 -11.819
  100    HB2  TYR  13           2HB      TYR  13  10.936   3.284 -12.896
  101    HB3  TYR  13           3HB      TYR  13  10.012   1.822 -12.572
  102    HD1  TYR  13           HD1      TYR  13  11.148   5.027 -11.209
  103    HD2  TYR  13           HD2      TYR  13   8.884   1.506 -10.447
  104    HE1  TYR  13           HE1      TYR  13  10.115   6.120  -9.264
  105    HE2  TYR  13           HE2      TYR  13   7.843   2.591  -8.500
  106    HH   TYR  13           HH       TYR  13   7.484   4.626  -7.499
  107    H    ARG  14           H        ARG  14  10.878  -0.401 -11.226
  108    HA   ARG  14           HA       ARG  14  10.511  -0.114  -8.477
  109    HB2  ARG  14           2HB      ARG  14  10.888  -2.699 -10.000
  110    HB3  ARG  14           3HB      ARG  14  10.112  -2.517  -8.433
  111    HG2  ARG  14           2HG      ARG  14   9.120  -1.319 -11.011
  112    HG3  ARG  14           3HG      ARG  14   8.496  -2.787 -10.254
  113    HD2  ARG  14           2HD      ARG  14   8.486  -0.809  -8.261
  114    HD3  ARG  14           3HD      ARG  14   7.850  -0.041  -9.716
  115    HE   ARG  14           HE       ARG  14   6.542  -2.449  -9.529
  116   HH11  ARG  14          1HH1      ARG  14   6.911   0.372  -7.522
  117   HH12  ARG  14          2HH1      ARG  14   5.359   0.202  -6.772
  118   HH21  ARG  14          1HH2      ARG  14   4.496  -2.684  -8.548
  119   HH22  ARG  14          2HH2      ARG  14   3.987  -1.537  -7.355
  120    H    LEU  15           H        LEU  15  13.316  -1.025 -10.294
  121    HA   LEU  15           HA       LEU  15  14.721  -2.258  -8.127
  122    HB2  LEU  15           2HB      LEU  15  15.919  -1.055 -10.610
  123    HB3  LEU  15           3HB      LEU  15  16.604  -2.312  -9.582
  124    HG   LEU  15           HG       LEU  15  14.128  -2.661 -11.269
  125   HD11  LEU  15          1HD1      LEU  15  16.947  -3.573 -11.828
  126   HD12  LEU  15          2HD1      LEU  15  16.117  -2.255 -12.655
  127   HD13  LEU  15          3HD1      LEU  15  15.519  -3.906 -12.809
  128   HD21  LEU  15          3HD2      LEU  15  15.858  -4.605  -9.745
  129   HD22  LEU  15          1HD2      LEU  15  14.559  -5.057 -10.848
  130   HD23  LEU  15          2HD2      LEU  15  14.192  -4.156  -9.376
  131    H    THR  16           H        THR  16  14.208  -0.471  -6.595
  132    HA   THR  16           HA       THR  16  16.402   1.476  -6.617
  133    HB   THR  16           HB       THR  16  14.885   3.234  -5.739
  134    HG1  THR  16           HG1      THR  16  12.793   2.851  -5.478
  135   HG21  THR  16          3HG2      THR  16  14.444   2.077  -8.471
  136   HG22  THR  16          1HG2      THR  16  15.359   3.511  -8.007
  137   HG23  THR  16          2HG2      THR  16  13.596   3.536  -7.959
  138    H    SER  17           H        SER  17  16.275   2.708  -4.357
  139    HA   SER  17           HA       SER  17  16.701   0.677  -2.386
  140    HB2  SER  17           2HB      SER  17  17.927   2.954  -2.677
  141    HB3  SER  17           3HB      SER  17  16.576   3.614  -1.755
  142    HG   SER  17           HG       SER  17  17.456   2.833  -0.025
  143    H    ARG  18           H        ARG  18  14.331   3.285  -2.807
  144    HA   ARG  18           HA       ARG  18  12.903   2.929  -0.444
  145    HB2  ARG  18           2HB      ARG  18  12.143   3.968  -3.158
  146    HB3  ARG  18           3HB      ARG  18  10.943   3.837  -1.880
  147    HG2  ARG  18           2HG      ARG  18  11.704   6.043  -1.774
  148    HG3  ARG  18           3HG      ARG  18  12.538   5.215  -0.458
  149    HD2  ARG  18           2HD      ARG  18  14.567   5.161  -1.627
  150    HD3  ARG  18           3HD      ARG  18  13.786   5.503  -3.170
  151    HE   ARG  18           HE       ARG  18  13.359   7.666  -1.436
  152   HH11  ARG  18          1HH1      ARG  18  15.931   6.115  -3.198
  153   HH12  ARG  18          2HH1      ARG  18  16.861   7.566  -3.374
  154   HH21  ARG  18          1HH2      ARG  18  14.575   9.583  -1.661
  155   HH22  ARG  18          2HH2      ARG  18  16.090   9.538  -2.499
  156    H    TYR  19           H        TYR  19  12.397   1.435  -3.628
  157    HA   TYR  19           HA       TYR  19  10.106  -0.012  -3.106
  158    HB2  TYR  19           2HB      TYR  19  10.975   0.060  -5.335
  159    HB3  TYR  19           3HB      TYR  19  12.485  -0.696  -4.838
  160    HD1  TYR  19           HD1      TYR  19   8.813  -1.385  -4.905
  161    HD2  TYR  19           HD2      TYR  19  12.752  -2.968  -5.185
  162    HE1  TYR  19           HE1      TYR  19   7.880  -3.593  -5.457
  163    HE2  TYR  19           HE2      TYR  19  11.830  -5.180  -5.739
  164    HH   TYR  19           HH       TYR  19   9.660  -6.065  -6.766
  165    H    ARG  20           H        ARG  20  13.397  -0.653  -2.118
  166    HA   ARG  20           HA       ARG  20  12.985  -3.347  -1.302
  167    HB2  ARG  20           2HB      ARG  20  15.071  -1.469  -0.201
  168    HB3  ARG  20           3HB      ARG  20  15.148  -3.222  -0.319
  169    HG2  ARG  20           2HG      ARG  20  14.802  -2.479  -2.928
  170    HG3  ARG  20           3HG      ARG  20  15.807  -1.177  -2.288
  171    HD2  ARG  20           2HD      ARG  20  16.972  -3.428  -1.228
  172    HD3  ARG  20           3HD      ARG  20  16.468  -3.967  -2.830
  173    HE   ARG  20           HE       ARG  20  18.107  -2.660  -3.736
  174   HH11  ARG  20          1HH1      ARG  20  17.504  -1.608  -0.472
  175   HH12  ARG  20          2HH1      ARG  20  18.827  -0.490  -0.450
  176   HH21  ARG  20          1HH2      ARG  20  19.851  -1.191  -3.719
  177   HH22  ARG  20          2HH2      ARG  20  20.161  -0.252  -2.297
  178    H    HIS  21           H        HIS  21  13.076  -0.262   0.464
  179    HA   HIS  21           HA       HIS  21  12.613  -1.317   3.021
  180    HB2  HIS  21           2HB      HIS  21  11.881   1.401   1.914
  181    HB3  HIS  21           3HB      HIS  21  11.901   0.977   3.623
  182    HD1  HIS  21           HD1      HIS  21  14.358   0.210   4.534
  183    HD2  HIS  21           HD2      HIS  21  14.244   2.351   0.975
  184    HE1  HIS  21           HE1      HIS  21  16.691   1.086   4.202
  185    H    TYR  22           H        TYR  22  10.458  -0.606   0.380
  186    HA   TYR  22           HA       TYR  22   8.041  -0.599   1.869
  187    HB2  TYR  22           2HB      TYR  22   8.726  -0.891  -1.036
  188    HB3  TYR  22           3HB      TYR  22   7.079  -1.186  -0.488
  189    HD1  TYR  22           HD2      TYR  22   6.102   0.733   1.074
  190    HD2  TYR  22           HD1      TYR  22   9.274   1.245  -1.715
  191    HE1  TYR  22           HE2      TYR  22   5.641   3.147   1.002
  192    HE2  TYR  22           HE1      TYR  22   8.822   3.661  -1.794
  193    HH   TYR  22           HH       TYR  22   7.231   5.255  -1.290
  194    H    ALA  23           H        ALA  23   9.492  -3.084  -0.239
  195    HA   ALA  23           HA       ALA  23   7.642  -5.108   0.341
  196    HB1  ALA  23           1HB      ALA  23   8.854  -6.335  -1.085
  197    HB2  ALA  23           2HB      ALA  23   9.774  -4.853  -1.350
  198    HB3  ALA  23           3HB      ALA  23  10.354  -6.056  -0.198
  199    H    ALA  24           H        ALA  24  10.469  -3.997   2.057
  200    HA   ALA  24           HA       ALA  24  10.683  -6.282   3.773
  201    HB1  ALA  24           1HB      ALA  24  11.863  -3.966   4.951
  202    HB2  ALA  24           2HB      ALA  24  12.651  -5.370   4.231
  203    HB3  ALA  24           3HB      ALA  24  12.226  -3.986   3.225
  204    H    PHE  25           H        PHE  25   8.432  -3.859   3.576
  205    HA   PHE  25           HA       PHE  25   7.696  -4.208   6.404
  206    HB2  PHE  25           2HB      PHE  25   7.769  -1.689   4.769
  207    HB3  PHE  25           3HB      PHE  25   6.661  -1.840   6.129
  208    HD1  PHE  25           HD1      PHE  25  10.261  -2.482   5.374
  209    HD2  PHE  25           HD2      PHE  25   7.377  -1.010   8.137
  210    HE1  PHE  25           HE1      PHE  25  12.070  -1.835   6.911
  211    HE2  PHE  25           HE2      PHE  25   9.181  -0.360   9.679
  212    HZ   PHE  25           HZ       PHE  25  11.531  -0.771   9.066
  213    H    GLU  26           H        GLU  26   6.880  -4.868   3.318
  214    HA   GLU  26           HA       GLU  26   4.000  -4.871   3.939
  215    HB2  GLU  26           2HB      GLU  26   5.443  -3.966   1.525
  216    HB3  GLU  26           3HB      GLU  26   4.009  -4.940   1.231
  217    HG2  GLU  26           2HG      GLU  26   3.903  -2.606   3.094
  218    HG3  GLU  26           3HG      GLU  26   3.794  -2.374   1.350
  219    H    ARG  27           H        ARG  27   6.697  -6.516   2.398
  220    HA   ARG  27           HA       ARG  27   5.213  -9.035   2.628
  221    HB2  ARG  27           2HB      ARG  27   5.928  -9.778   0.447
  222    HB3  ARG  27           3HB      ARG  27   5.082  -8.246   0.277
  223    HG2  ARG  27           2HG      ARG  27   6.848  -7.283  -0.657
  224    HG3  ARG  27           3HG      ARG  27   7.918  -7.843   0.629
  225    HD2  ARG  27           2HD      ARG  27   7.629 -10.150  -0.633
  226    HD3  ARG  27           3HD      ARG  27   7.276  -9.086  -1.995
  227    HE   ARG  27           HE       ARG  27   9.624  -8.200  -0.752
  228   HH11  ARG  27          1HH1      ARG  27   8.452 -10.896  -2.616
  229   HH12  ARG  27          2HH1      ARG  27   9.998 -11.255  -3.311
  230   HH21  ARG  27          1HH2      ARG  27  11.665  -8.663  -1.660
  231   HH22  ARG  27          2HH2      ARG  27  11.825  -9.985  -2.766
  232    H    ALA  28           H        ALA  28   7.250  -7.868   4.298
  233    HA   ALA  28           HA       ALA  28   9.766  -9.105   3.725
  234    HB1  ALA  28           1HB      ALA  28  10.440  -7.624   5.228
  235    HB2  ALA  28           2HB      ALA  28   8.763  -7.217   5.598
  236    HB3  ALA  28           3HB      ALA  28   9.574  -8.507   6.486
  237    H    THR  29           H        THR  29   7.725  -9.596   6.600
  238    HA   THR  29           HA       THR  29   8.534 -12.420   6.591
  239    HB   THR  29           HB       THR  29   8.974 -10.939   8.628
  240    HG1  THR  29           HG1      THR  29   8.362 -12.692  10.033
  241   HG21  THR  29          3HG2      THR  29   6.069 -11.451   9.218
  242   HG22  THR  29          1HG2      THR  29   6.631  -9.937   8.512
  243   HG23  THR  29          2HG2      THR  29   7.204 -10.434  10.104
  244    H    PHE  30           H        PHE  30   5.791 -10.292   6.430
  245    HA   PHE  30           HA       PHE  30   3.976 -12.607   6.470
  246    HB2  PHE  30           2HB      PHE  30   2.213 -10.689   6.660
  247    HB3  PHE  30           3HB      PHE  30   3.146 -11.152   8.080
  248    HD1  PHE  30           HD2      PHE  30   3.784  -8.931   5.146
  249    HD2  PHE  30           HD1      PHE  30   3.661  -9.343   9.381
  250    HE1  PHE  30           HE2      PHE  30   4.554  -6.607   5.391
  251    HE2  PHE  30           HE1      PHE  30   4.430  -7.019   9.633
  252    HZ   PHE  30           HZ       PHE  30   4.879  -5.648   7.637