*HEADER    HYDROLASE INHIBITOR                     12-DEC-13   2MI9              
*TITLE     SOLUTION STRUCTURE OF ALLATIDE O4, CONFORMATION 1                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA AMYLASE INHIBITOR;                                   
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ALLAMANDA OENOTHERAEFOLIA;                      
*SOURCE   3 ORGANISM_TAXID: 1338028                                              
*KEYWDS    CONFORMATIONS, HYDROLASE INHIBITOR                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.BAI, K.PERVUSHIN                                                    
*REVDAT   1   14-JAN-15 2MI9    0                                                


 11 ILE  QD1    13 ASN  H       4.70            #peak     1 #SUP  0.94  #QF  0.94
 25 ILE  H      26 ILE  H       3.92            #peak    10 #SUP  0.97  #QF  0.97
 26 ILE  H      27 GLY  QA      4.90            #peak    11 #SUP  0.98  #QF  0.98
 22 THR  HB     28 PHE  H       5.46            #peak    15 #SUP  0.93  #QF  0.93
 14 GLN  HG3    15 CYSS H       4.87            #peak    20 #SUP  1.00
  5 TYR  H      30 LEU  HA      4.98            #peak    21 #SUP  0.91  #QF  0.91
 29 CYSS HB2    30 LEU  H       4.54            #peak    27 #SUP  1.00
 29 CYSS HB3    30 LEU  H       4.06            #peak    30 #SUP  1.00
 23 PRO  QG     25 ILE  H       4.42            #peak    32 #SUP  1.00  #QF  0.26
  5 TYR  H       6 GLY  HA2     5.50            #peak    36 #SUP  1.00
 15 CYSS H      16 CYSS H       4.75            #peak    39 #SUP  1.00
 16 CYSS H      17 ASP  H       3.68            #peak    42 #SUP  0.95  #QF  0.95
  9 ASP  H      10 GLY  H       2.55            #peak    43 #SUP  0.59  #QF  0.59
  8 CYSS H      28 PHE  QD      4.92            #peak    46 #SUP  1.00
 26 ILE  H      27 GLY  H       4.43            #peak    48 #SUP  1.00
 19 TRP  HE3    20 LEU  H       5.13            #peak    49 #SUP  0.99  #QF  0.99
 20 LEU  QB     30 LEU  H       5.23            #peak    54 #SUP  0.99  #QF  0.99
 20 LEU  QD1    30 LEU  H       4.14            #peak    55 #SUP  0.72  #QF  0.72
 29 CYSS H      30 LEU  H       4.63            #peak    57 #SUP  1.00
 28 PHE  QD     29 CYSS H       4.47            #peak    59 #SUP  1.00
 20 LEU  H      30 LEU  H       3.75            #peak    62 #SUP  0.91  #QF  0.91
  2 ILE  HB     15 CYSS HA      4.78            #peak    67 #SUP  0.76  #QF  0.37
 22 THR  HB     30 LEU  H       4.80            #peak    72 #SUP  0.94  #QF  0.94
 24 PRO  HA     25 ILE  H       3.40            #peak    73 #SUP  0.99  #QF  0.99
 29 CYSS H      29 CYSS HB3     3.23            #peak    76 #SUP  0.43  #QF  0.43
 13 ASN  HB3    21 CYSS H       5.20            #peak    79 #SUP  0.86  #QF  0.28
 21 CYSS H      29 CYSS HB2     5.50            #peak    79 #SUP  0.86  #QF  0.28
 20 LEU  QB     21 CYSS H       5.28            #peak    81 #SUP  1.00
  4 HIS  HA      5 TYR  HE1     5.08            #peak    83 #SUP  0.99  #QF  0.99
  2 ILE  QG2     6 GLY  HA3     2.92            #peak    86 #SUP  0.88  #QF  0.88
 27 GLY  QA     28 PHE  QD      3.68            #peak    89 #SUP  0.97  #QF  0.97
 27 GLY  QA     28 PHE  HZ      5.50            #peak    92 #SUP  0.91  #QF  0.91
  2 ILE  H       3 ALA  H       5.08            #peak    93 #SUP  0.46  #QF  0.46
 26 ILE  HB     27 GLY  H       4.65            #peak   104 #SUP  1.00
 26 ILE  QG2    27 GLY  H       4.38            #peak   105 #SUP  1.00
  7 LYS  HG2    27 GLY  H       4.43            #peak   109 #SUP  0.85  #QF  0.85
  7 LYS  QD     26 ILE  QG2     3.18            #peak   111 #SUP  0.24  #QF  0.24
 11 ILE  QD1    13 ASN  HD22    3.93            #peak   120 #SUP  0.82  #QF  0.82
 11 ILE  QD1    13 ASN  HD21    5.50            #peak   121 #SUP  0.87  #QF  0.87
  7 LYS  QD      8 CYSS H       4.80            #peak   123 #SUP  1.00
  7 LYS  HG2     8 CYSS H       5.49            #peak   125 #SUP  1.00
  7 LYS  HB2     8 CYSS H       4.33            #peak   131 #SUP  1.00
  7 LYS  HG3     8 CYSS H       4.44            #peak   134 #SUP  1.00
  2 ILE  QG2     7 LYS  H       3.87            #peak   136 #SUP  1.00
  2 ILE  QD1     7 LYS  H       4.60            #peak   137 #SUP  0.84  #QF  0.84
  2 ILE  QG2    29 CYSS H       4.79            #peak   140 #SUP  0.68  #QF  0.68
  2 ILE  QG2     6 GLY  H       5.50            #peak   142 #SUP  1.00
  2 ILE  HB      6 GLY  H       5.47            #peak   144 #SUP  1.00
 11 ILE  H      25 ILE  QG2     5.50            #peak   146 #SUP  1.00
  4 HIS  HD2     5 TYR  HE2     4.18            #peak   150 #SUP  0.99  #QF  0.99
  4 HIS  HD2    18 PRO  QD      4.24            #peak   152 #SUP  0.40  #QF  0.40
  4 HIS  HA      4 HIS  HE1     5.07            #peak   156 #SUP  0.98  #QF  0.98
  4 HIS  H       4 HIS  HE1     5.36            #peak   157 #SUP  1.00
  4 HIS  HA      4 HIS  HD2     3.97            #peak   166 #SUP  0.85  #QF  0.85
  4 HIS  H       4 HIS  HD2     5.50            #peak   171 #SUP  1.00
 11 ILE  QG2    12 ILE  H       5.25            #peak   174 #SUP  1.00
  2 ILE  HB      3 ALA  H       4.58            #peak   175 #SUP  0.46  #QF  0.46
  5 TYR  H      29 CYSS HB2     5.35            #peak   183 #SUP  0.98  #QF  0.98
 10 GLY  H      12 ILE  HB      4.33            #peak   185 #SUP  0.29  #QF  0.29
  7 LYS  HA     29 CYSS H       4.27            #peak   214 #SUP  0.97  #QF  0.97
  7 LYS  HG3    28 PHE  QD      4.11            #peak   215 #SUP  1.00
  7 LYS  HG3    28 PHE  HZ      3.86            #peak   217 #SUP  0.99  #QF  0.99
  7 LYS  HG2    28 PHE  QD      4.22            #peak   219 #SUP  1.00
  7 LYS  HG2    28 PHE  HZ      3.93            #peak   221 #SUP  0.98  #QF  0.98
  7 LYS  QD     28 PHE  QD      4.79            #peak   223 #SUP  1.00
  7 LYS  QD     28 PHE  HZ      4.96            #peak   226 #SUP  1.00
  7 LYS  HB2    28 PHE  QD      4.30            #peak   227 #SUP  1.00
  7 LYS  HB2    28 PHE  HZ      5.28            #peak   230 #SUP  1.00
  7 LYS  HA     28 PHE  QD      2.92            #peak   231 #SUP  0.96  #QF  0.96
  7 LYS  HA     28 PHE  HZ      5.50            #peak   234 #SUP  1.00
 22 THR  H      27 GLY  QA      5.50            #peak   238 #SUP  0.98  #QF  0.98
  8 CYSS HA     27 GLY  H       5.50            #peak   242 #SUP  0.94  #QF  0.94
 22 THR  H      28 PHE  HA      5.02            #peak   243 #SUP  0.98  #QF  0.98
 13 ASN  HB2    14 GLN  H       4.98            #peak   251 #SUP  1.00
 13 ASN  HB3    14 GLN  H       4.47            #peak   254 #SUP  0.99  #QF  0.99
 19 TRP  HA     19 TRP  HZ3     5.50            #peak   265 #SUP  1.00
 19 TRP  HB3    19 TRP  HZ3     5.50            #peak   271 #SUP  1.00
 19 TRP  H      19 TRP  HE3     5.50            #peak   277 #SUP  1.00
 19 TRP  HA     19 TRP  HE3     3.55            #peak   284 #SUP  0.94  #QF  0.94
 19 TRP  H      19 TRP  HD1     5.23            #peak   302 #SUP  1.00
 19 TRP  HA     19 TRP  HD1     4.28            #peak   312 #SUP  0.99  #QF  0.99
  5 TYR  H       5 TYR  HB2     3.79            #peak   325 #SUP  0.94  #QF  0.94
  5 TYR  HE1    18 PRO  HA      4.63            #peak   327 #SUP  0.35  #QF  0.35
 26 ILE  HA     26 ILE  QG1     3.84            #peak   330 #SUP  1.00
 26 ILE  HB     26 ILE  QG1     2.99            #peak   332 #SUP  1.00
 14 GLN  HA     14 GLN  HE22    4.72            #peak   336 #SUP  1.00
 14 GLN  HA     14 GLN  HE21    3.72            #peak   339 #SUP  0.89  #QF  0.89
 14 GLN  HA     16 CYSS H       5.25            #peak   341 #SUP  0.34  #QF  0.34
 14 GLN  HA     14 GLN  HG2     4.07            #peak   342 #SUP  1.00
 13 ASN  H      14 GLN  HA      5.00            #peak   344 #SUP  0.97  #QF  0.97
 23 PRO  HA     24 PRO  HD3     3.04            #peak   354 #SUP  1.00
 12 ILE  HA     12 ILE  QG1     4.24            #peak   357 #SUP  1.00
 11 ILE  H      11 ILE  HA      2.86            #peak   367 #SUP  0.98  #QF  0.98
 11 ILE  H      11 ILE  QG2     3.43            #peak   368 #SUP  0.99  #QF  0.99
 11 ILE  H      11 ILE  QG1     3.76            #peak   369 #SUP  1.00
 11 ILE  H      11 ILE  QD1     4.24            #peak   371 #SUP  1.00
 11 ILE  H      11 ILE  HB      3.46            #peak   372 #SUP  1.00
  9 ASP  H       9 ASP  QB      3.78            #peak   375 #SUP  1.00
 19 TRP  H      19 TRP  HE1     5.49            #peak   381 #SUP  0.90  #QF  0.90
 18 PRO  QD     19 TRP  H       4.62            #peak   384 #SUP  0.67  #QF  0.44
 24 PRO  QG     25 ILE  QG1     4.06            #peak   423 #SUP  1.00  #QF  0.55
 14 GLN  H      14 GLN  HE22    5.50            #peak   429 #SUP  1.00
 14 GLN  H      14 GLN  HB2     4.06            #peak   431 #SUP  1.00
 14 GLN  H      14 GLN  HG3     3.63            #peak   433 #SUP  0.95  #QF  0.95
 14 GLN  H      14 GLN  HG2     4.22            #peak   434 #SUP  1.00
 13 ASN  H      14 GLN  H       4.12            #peak   435 #SUP  0.99  #QF  0.99
 14 GLN  H      14 GLN  HB3     4.06            #peak   436 #SUP  1.00
 12 ILE  H      12 ILE  QG1     4.42            #peak   445 #SUP  1.00
 12 ILE  H      12 ILE  QD1     4.71            #peak   446 #SUP  0.98  #QF  0.98
 17 ASP  H      18 PRO  HA      4.84            #peak   453 #SUP  0.36  #QF  0.36
  9 ASP  QB     10 GLY  H       3.30            #peak   457 #SUP  0.57  #QF  0.24
 17 ASP  H      17 ASP  QB      3.49            #peak   457 #SUP  0.57  #QF  0.24
  8 CYSS H      28 PHE  HA      3.63            #peak   478 #SUP  0.88  #QF  0.88
  8 CYSS H       8 CYSS HB3     3.27            #peak   479 #SUP  0.83  #QF  0.83
  7 LYS  HA      8 CYSS H       2.56            #peak   480 #SUP  0.84  #QF  0.84
  8 CYSS H      27 GLY  H       3.87            #peak   481 #SUP  0.88  #QF  0.88
  8 CYSS H       8 CYSS HB2     3.27            #peak   482 #SUP  0.83  #QF  0.83
 30 LEU  HA     30 LEU  QQD     3.82            #peak   485 #SUP  1.00
 19 TRP  HB2    19 TRP  HE1     4.98            #peak   494 #SUP  0.98  #QF  0.98
 19 TRP  HA     19 TRP  HE1     5.50            #peak   496 #SUP  1.00
 25 ILE  QG1    26 ILE  H       5.39            #peak   497 #SUP  1.00  #QF  0.85
 26 ILE  H      26 ILE  QG1     5.50            #peak   497 #SUP  1.00  #QF  0.85
 26 ILE  H      26 ILE  HB      3.95            #peak   500 #SUP  1.00
 25 ILE  QG2    26 ILE  H       4.53            #peak   502 #SUP  1.00  #QF  0.72
 26 ILE  H      26 ILE  QG2     4.99            #peak   502 #SUP  1.00  #QF  0.72
  2 ILE  HA      2 ILE  QD1     3.23            #peak   506 #SUP  0.98  #QF  0.98
  2 ILE  QG2     2 ILE  QD1     2.53            #peak   510 #SUP  0.92  #QF  0.92
  7 LYS  H       7 LYS  QD      4.89            #peak   515 #SUP  1.00
  7 LYS  HA      7 LYS  QD      3.69            #peak   518 #SUP  0.80  #QF  0.80
  7 LYS  HG2     7 LYS  QD      2.45            #peak   519 #SUP  0.95  #QF  0.95
  5 TYR  HA      5 TYR  HB3     2.40            #peak   541 #SUP  0.66  #QF  0.66
  5 TYR  HA      6 GLY  H       3.00            #peak   542 #SUP  0.79  #QF  0.79
 26 ILE  HB     26 ILE  QD1     2.47            #peak   547 #SUP  0.99  #QF  0.99
 23 PRO  HA     24 PRO  HD2     3.04            #peak   557 #SUP  1.00
 30 LEU  H      30 LEU  QQD     4.37            #peak   562 #SUP  1.00
 30 LEU  H      30 LEU  HG      3.93            #peak   564 #SUP  0.99  #QF  0.99
 30 LEU  H      30 LEU  QB      3.67            #peak   566 #SUP  1.00
 13 ASN  HA     13 ASN  HB3     2.91            #peak   579 #SUP  0.99  #QF  0.99
 13 ASN  H      13 ASN  HB3     3.66            #peak   580 #SUP  1.00
 28 PHE  HA     28 PHE  QD      3.13            #peak   607 #SUP  0.96  #QF  0.96
  7 LYS  H      28 PHE  QD      3.53            #peak   608 #SUP  0.98  #QF  0.98
 28 PHE  H      28 PHE  QD      3.59            #peak   609 #SUP  1.00
 22 THR  H      22 THR  HB      2.98            #peak   617 #SUP  0.76  #QF  0.76
 22 THR  H      30 LEU  H       3.98            #peak   619 #SUP  1.00
 22 THR  H      30 LEU  QQD     4.02            #peak   621 #SUP  0.73  #QF  0.73
 22 THR  H      28 PHE  H       3.91            #peak   622 #SUP  0.98  #QF  0.98
 22 THR  H      22 THR  HG1     3.59            #peak   623 #SUP  0.82  #QF  0.82
 14 GLN  H      14 GLN  HE21    5.50            #peak   632 #SUP  1.00
 14 GLN  HB2    14 GLN  HE21    4.68            #peak   633 #SUP  1.00
 14 GLN  HG3    14 GLN  HE21    3.30            #peak   635 #SUP  0.92  #QF  0.92
 14 GLN  HB3    14 GLN  HE21    4.68            #peak   637 #SUP  1.00
  5 TYR  H       5 TYR  HE1     4.34            #peak   643 #SUP  0.99  #QF  0.99
 24 PRO  QG     25 ILE  H       4.37            #peak   648 #SUP  1.00  #QF  0.81
 23 PRO  HB3    24 PRO  HD3     3.73            #peak   651 #SUP  1.00
 23 PRO  HB3    24 PRO  HD2     3.73            #peak   653 #SUP  1.00
  7 LYS  HA     28 PHE  HA      3.61            #peak   669 #SUP  0.99  #QF  0.99
 17 ASP  QB     18 PRO  HA      4.21            #peak   678 #SUP  1.00
  8 CYSS HA      9 ASP  H       3.12            #peak   682 #SUP  0.92  #QF  0.92
  9 ASP  H       9 ASP  HA      2.93            #peak   683 #SUP  0.99  #QF  0.99
 12 ILE  HB     12 ILE  QD1     2.71            #peak   689 #SUP  0.72  #QF  0.72
 14 GLN  HA     14 GLN  HG3     3.29            #peak   690 #SUP  0.99  #QF  0.99
 14 GLN  HB2    14 GLN  HG3     2.98            #peak   693 #SUP  1.00
  6 GLY  H      29 CYSS HB3     3.72            #peak   710 #SUP  0.90  #QF  0.90
  5 TYR  HA     29 CYSS HB3     4.71            #peak   711 #SUP  1.00  #QF  0.29
  2 ILE  HB      2 ILE  QD1     3.28            #peak   713 #SUP  1.00
  7 LYS  HB2     7 LYS  HE3     5.50            #peak   721 #SUP  1.00
  7 LYS  HB2     7 LYS  QD      3.62            #peak   722 #SUP  1.00
  7 LYS  HB2     7 LYS  HE2     5.50            #peak   723 #SUP  1.00
 16 CYSS H      16 CYSS HB3     3.44            #peak   731 #SUP  0.99  #QF  0.99
 16 CYSS H      16 CYSS HB2     3.44            #peak   733 #SUP  0.92  #QF  0.92
 15 CYSS HA     16 CYSS H       2.92            #peak   735 #SUP  0.57  #QF  0.57
 20 LEU  HA     21 CYSS H       3.40            #peak   761 #SUP  0.91  #QF  0.91
  7 LYS  H       7 LYS  HE3     5.50            #peak   762 #SUP  1.00
  7 LYS  H       7 LYS  HE2     5.50            #peak   764 #SUP  1.00
  7 LYS  H       7 LYS  HB2     2.99            #peak   766 #SUP  0.97  #QF  0.97
  6 GLY  HA2     7 LYS  H       2.48            #peak   767 #SUP  0.74  #QF  0.74
  6 GLY  HA3     7 LYS  H       2.89            #peak   772 #SUP  0.97  #QF  0.97
 13 ASN  HB2    13 ASN  HD22    3.96            #peak   806 #SUP  1.00
 13 ASN  HA     13 ASN  HD22    4.24            #peak   808 #SUP  1.00
  7 LYS  HB2     7 LYS  QZ      5.50            #peak   814 #SUP  1.00
  7 LYS  HG3     7 LYS  QZ      5.27            #peak   817 #SUP  1.00
 11 ILE  HA     11 ILE  QG2     4.05            #peak   821 #SUP  1.00
 11 ILE  QG2    11 ILE  QD1     2.65            #peak   824 #SUP  0.80  #QF  0.80
  5 TYR  HA      5 TYR  HE1     5.50            #peak   828 #SUP  1.00
  5 TYR  HE1    18 PRO  QD      3.61            #peak   833 #SUP  0.89  #QF  0.89
 26 ILE  HA     26 ILE  QD1     3.32            #peak   835 #SUP  0.96  #QF  0.96
 26 ILE  H      26 ILE  QD1     3.53            #peak   836 #SUP  0.97  #QF  0.97
 25 ILE  QG2    26 ILE  QD1     4.10            #peak   839 #SUP  1.00  #QF  0.41
 23 PRO  HB2    24 PRO  HD3     3.73            #peak   840 #SUP  1.00
 23 PRO  HB2    24 PRO  HD2     3.73            #peak   842 #SUP  1.00
 12 ILE  H      12 ILE  HB      3.47            #peak   849 #SUP  0.82  #QF  0.82
 12 ILE  HB     12 ILE  QG1     2.58            #peak   850 #SUP  1.00
 25 ILE  H      25 ILE  QG1     3.78            #peak   880 #SUP  0.99  #QF  0.99
 25 ILE  H      25 ILE  QD1     4.73            #peak   884 #SUP  1.00  #QF  0.21
 25 ILE  H      25 ILE  QG2     3.99            #peak   885 #SUP  1.00
  7 LYS  HG3     7 LYS  QD      2.66            #peak   892 #SUP  1.00
  7 LYS  H       7 LYS  HG3     4.29            #peak   895 #SUP  1.00
  7 LYS  HA      7 LYS  HG3     4.20            #peak   898 #SUP  1.00
  2 ILE  QG2     2 ILE  HG13    2.40            #peak   909 #SUP  0.88  #QF  0.88
  7 LYS  HA      7 LYS  QZ      5.50            #peak   917 #SUP  1.00
  7 LYS  HA     28 PHE  H       4.86            #peak   920 #SUP  1.00
 28 PHE  H      28 PHE  HB3     4.12            #peak   923 #SUP  1.00
 27 GLY  QA     28 PHE  H       2.70            #peak   927 #SUP  0.86  #QF  0.86
 28 PHE  H      28 PHE  HB2     4.12            #peak   930 #SUP  1.00
 25 ILE  HB     25 ILE  QD1     2.85            #peak   940 #SUP  0.97  #QF  0.97
 25 ILE  HA     26 ILE  QD1     4.86            #peak   941 #SUP  1.00
  2 ILE  H       2 ILE  QD1     3.00            #peak   956 #SUP  0.90  #QF  0.90
  2 ILE  H       2 ILE  HB      3.61            #peak   957 #SUP  0.98  #QF  0.98
  2 ILE  H       2 ILE  HG13    5.50            #peak   959 #SUP  1.00
  2 ILE  H       2 ILE  QG2     4.12            #peak   964 #SUP  1.00
 13 ASN  HA     13 ASN  HD21    3.50            #peak   975 #SUP  0.99  #QF  0.99
 30 LEU  HA     30 LEU  HG      3.90            #peak   981 #SUP  0.94  #QF  0.94
 20 LEU  HA     20 LEU  QD1     3.62            #peak   992 #SUP  0.99  #QF  0.99
 26 ILE  HA     27 GLY  H       2.62            #peak   998 #SUP  0.60  #QF  0.60
 27 GLY  H      27 GLY  QA      2.86            #peak  1000 #SUP  1.00
 11 ILE  HB     11 ILE  QG1     2.91            #peak  1007 #SUP  1.00
 20 LEU  H      20 LEU  QD1     4.64            #peak  1008 #SUP  1.00
 20 LEU  H      20 LEU  QB      3.38            #peak  1013 #SUP  1.00
 20 LEU  H      20 LEU  HG      3.86            #peak  1014 #SUP  0.98  #QF  0.98
  5 TYR  HB3     5 TYR  HE2     5.46            #peak  1031 #SUP  1.00
  5 TYR  H      18 PRO  QD      3.41            #peak  1032 #SUP  0.63  #QF  0.63
 25 ILE  QG2    25 ILE  QG1     2.67            #peak  1035 #SUP  0.95  #QF  0.61
 26 ILE  HA     26 ILE  QG2     3.35            #peak  1036 #SUP  1.00
 13 ASN  H      13 ASN  HB2     3.31            #peak  1046 #SUP  1.00
 13 ASN  H      13 ASN  HD22    3.63            #peak  1047 #SUP  1.00
 13 ASN  H      13 ASN  HA      2.93            #peak  1048 #SUP  1.00
  4 HIS  H       4 HIS  HB3     3.66            #peak  1051 #SUP  0.99  #QF  0.99
  4 HIS  H       4 HIS  HB2     3.66            #peak  1054 #SUP  0.98  #QF  0.98
  3 ALA  HA      4 HIS  H       2.48            #peak  1060 #SUP  0.34  #QF  0.34
 14 GLN  HB3    14 GLN  HG3     2.98            #peak  1066 #SUP  0.98  #QF  0.98
  6 GLY  H      29 CYSS HB2     4.55            #peak  1072 #SUP  1.00
 29 CYSS HA     30 LEU  H       2.60            #peak  1095 #SUP  0.63  #QF  0.63
 29 CYSS HA     29 CYSS HB2     2.75            #peak  1097 #SUP  0.94  #QF  0.94
  7 LYS  H       7 LYS  HG2     4.17            #peak  1116 #SUP  1.00
  7 LYS  HG2     7 LYS  QZ      5.50            #peak  1117 #SUP  1.00
  7 LYS  HA      7 LYS  HG2     4.25            #peak  1119 #SUP  1.00
 19 TRP  H      19 TRP  HB3     3.84            #peak  1121 #SUP  0.98  #QF  0.98
  2 ILE  H       2 ILE  HG12    5.50            #peak  1130 #SUP  1.00
  2 ILE  QG2     2 ILE  HG12    4.15            #peak  1132 #SUP  1.00
 20 LEU  QB     20 LEU  QD1     3.30            #peak  1133 #SUP  1.00
 26 ILE  QG2    26 ILE  QG1     2.59            #peak  1148 #SUP  1.00  #QF  0.68
 25 ILE  QG2    25 ILE  QD1     2.40            #peak  1152 #SUP  0.86  #QF  0.86
 20 LEU  HA     20 LEU  HG      3.80            #peak  1161 #SUP  1.00
 20 LEU  QB     20 LEU  HG      2.40            #peak  1163 #SUP  1.00
 28 PHE  HA     29 CYSS H       2.75            #peak  1166 #SUP  0.76  #QF  0.76
 29 CYSS H      29 CYSS HB2     2.96            #peak  1168 #SUP  0.91  #QF  0.91
 30 LEU  QB     30 LEU  QQD     3.37            #peak  1177 #SUP  1.00
 11 ILE  HA     11 ILE  QD1     3.30            #peak  1181 #SUP  0.95  #QF  0.95
 19 TRP  HA     20 LEU  H       3.54            #peak  1188 #SUP  0.98  #QF  0.98
 13 ASN  HB2    13 ASN  HD21    2.53            #peak  1193 #SUP  0.79  #QF  0.79
 13 ASN  H      13 ASN  HD21    3.71            #peak  1196 #SUP  1.00
  2 ILE  HA      2 ILE  QG2     2.98            #peak  1200 #SUP  0.98  #QF  0.98
 11 ILE  HB     11 ILE  QD1     3.31            #peak  1209 #SUP  1.00
  4 HIS  H       4 HIS  QB      3.21            #peak  1051
  4 HIS  QB      4 HIS  HE1     4.56            #peak   155
  4 HIS  QB      5 TYR  H       4.40            #peak    95
  5 TYR  H      18 PRO  QG      4.26            #peak   884
  7 LYS  H       7 LYS  QE      4.84            #peak   764
  7 LYS  HA      7 LYS  QE      4.49            #peak   398
  7 LYS  HG3     7 LYS  QE      3.60            #peak   592
  7 LYS  QE      8 CYSS H       3.94            #peak   129
  8 CYSS QB      9 ASP  H       3.23            #peak   195
 10 GLY  QA     11 ILE  H       3.07            #peak   370
 14 GLN  H      14 GLN  QB      3.41            #peak   436
 14 GLN  QB     14 GLN  HG3     2.57            #peak  1066
 14 GLN  QB     14 GLN  HE21    4.08            #peak   637
 14 GLN  QB     15 CYSS HA      5.17            #peak    67
 16 CYSS H      16 CYSS QB      2.85            #peak   733
 16 CYSS QB     17 ASP  H       2.97            #peak   201
 21 CYSS H      21 CYSS QB      2.80            #peak   490
 23 PRO  HA     24 PRO  QD      2.55            #peak   557
 23 PRO  QB     24 PRO  HA      5.13            #peak  1156
 23 PRO  QB     24 PRO  QD      2.84            #peak   840
 24 PRO  QD     25 ILE  H       4.37            #peak     8
 28 PHE  H      28 PHE  QB      3.56            #peak   923
 28 PHE  QB     29 CYSS H       3.67            #peak  1165
   1 CYSS  PHI    -175.0    75.0 5.00E-01 type=2
   1 CYSS  PSI     -75.0   185.0 5.00E-01 type=2
   1 CYSS  PHI    -255.0   -25.0 5.00E-01 type=2 OR
   1 CYSS  PSI      25.0    55.0 5.00E-01 type=2
   1 CYSS  PHI    -135.0    75.0 5.00E-01 type=2 OR
   1 CYSS  PSI     105.0   185.0 5.00E-01 type=2
   2 ILE   PHI    -175.0    75.0 5.00E-01 type=2
   2 ILE   PSI     -75.0   185.0 5.00E-01 type=2
   2 ILE   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   2 ILE   PSI      25.0    55.0 5.00E-01 type=2
   2 ILE   PHI    -135.0    75.0 5.00E-01 type=2 OR
   2 ILE   PSI     105.0   185.0 5.00E-01 type=2
   3 ALA   PHI    -175.0    75.0 5.00E-01 type=2
   3 ALA   PSI     -75.0   185.0 5.00E-01 type=2
   3 ALA   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   3 ALA   PSI      25.0    55.0 5.00E-01 type=2
   3 ALA   PHI    -135.0    75.0 5.00E-01 type=2 OR
   3 ALA   PSI     105.0   185.0 5.00E-01 type=2
   4 HIS   PHI    -175.0    75.0 5.00E-01 type=2
   4 HIS   PSI     -75.0   185.0 5.00E-01 type=2
   4 HIS   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   4 HIS   PSI      25.0    55.0 5.00E-01 type=2
   4 HIS   PHI    -135.0    75.0 5.00E-01 type=2 OR
   4 HIS   PSI     105.0   185.0 5.00E-01 type=2
   5 TYR   PHI    -175.0    75.0 5.00E-01 type=2
   5 TYR   PSI     -75.0   185.0 5.00E-01 type=2
   5 TYR   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   5 TYR   PSI      25.0    55.0 5.00E-01 type=2
   5 TYR   PHI    -135.0    75.0 5.00E-01 type=2 OR
   5 TYR   PSI     105.0   185.0 5.00E-01 type=2
   7 LYS   PHI    -175.0    75.0 5.00E-01 type=2
   7 LYS   PSI     -75.0   185.0 5.00E-01 type=2
   7 LYS   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   7 LYS   PSI      25.0    55.0 5.00E-01 type=2
   7 LYS   PHI    -135.0    75.0 5.00E-01 type=2 OR
   7 LYS   PSI     105.0   185.0 5.00E-01 type=2
   8 CYSS  PHI    -175.0    75.0 5.00E-01 type=2
   8 CYSS  PSI     -75.0   185.0 5.00E-01 type=2
   8 CYSS  PHI    -255.0   -25.0 5.00E-01 type=2 OR
   8 CYSS  PSI      25.0    55.0 5.00E-01 type=2
   8 CYSS  PHI    -135.0    75.0 5.00E-01 type=2 OR
   8 CYSS  PSI     105.0   185.0 5.00E-01 type=2
   9 ASP   PHI    -175.0    75.0 5.00E-01 type=2
   9 ASP   PSI     -75.0   185.0 5.00E-01 type=2
   9 ASP   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   9 ASP   PSI      25.0    55.0 5.00E-01 type=2
   9 ASP   PHI    -135.0    75.0 5.00E-01 type=2 OR
   9 ASP   PSI     105.0   185.0 5.00E-01 type=2
  11 ILE   PHI    -175.0    75.0 5.00E-01 type=2
  11 ILE   PSI     -75.0   185.0 5.00E-01 type=2
  11 ILE   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  11 ILE   PSI      25.0    55.0 5.00E-01 type=2
  11 ILE   PHI    -135.0    75.0 5.00E-01 type=2 OR
  11 ILE   PSI     105.0   185.0 5.00E-01 type=2
  12 ILE   PHI    -175.0    75.0 5.00E-01 type=2
  12 ILE   PSI     -75.0   185.0 5.00E-01 type=2
  12 ILE   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  12 ILE   PSI      25.0    55.0 5.00E-01 type=2
  12 ILE   PHI    -135.0    75.0 5.00E-01 type=2 OR
  12 ILE   PSI     105.0   185.0 5.00E-01 type=2
  13 ASN   PHI    -175.0    75.0 5.00E-01 type=2
  13 ASN   PSI     -75.0   185.0 5.00E-01 type=2
  13 ASN   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  13 ASN   PSI      25.0    55.0 5.00E-01 type=2
  13 ASN   PHI    -135.0    75.0 5.00E-01 type=2 OR
  13 ASN   PSI     105.0   185.0 5.00E-01 type=2
  14 GLN   PHI    -175.0    75.0 5.00E-01 type=2
  14 GLN   PSI     -75.0   185.0 5.00E-01 type=2
  14 GLN   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  14 GLN   PSI      25.0    55.0 5.00E-01 type=2
  14 GLN   PHI    -135.0    75.0 5.00E-01 type=2 OR
  14 GLN   PSI     105.0   185.0 5.00E-01 type=2
  15 CYSS  PHI    -175.0    75.0 5.00E-01 type=2
  15 CYSS  PSI     -75.0   185.0 5.00E-01 type=2
  15 CYSS  PHI    -255.0   -25.0 5.00E-01 type=2 OR
  15 CYSS  PSI      25.0    55.0 5.00E-01 type=2
  15 CYSS  PHI    -135.0    75.0 5.00E-01 type=2 OR
  15 CYSS  PSI     105.0   185.0 5.00E-01 type=2
  16 CYSS  PHI    -175.0    75.0 5.00E-01 type=2
  16 CYSS  PSI     -75.0   185.0 5.00E-01 type=2
  16 CYSS  PHI    -255.0   -25.0 5.00E-01 type=2 OR
  16 CYSS  PSI      25.0    55.0 5.00E-01 type=2
  16 CYSS  PHI    -135.0    75.0 5.00E-01 type=2 OR
  16 CYSS  PSI     105.0   185.0 5.00E-01 type=2
  19 TRP   PHI    -175.0    75.0 5.00E-01 type=2
  19 TRP   PSI     -75.0   185.0 5.00E-01 type=2
  19 TRP   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  19 TRP   PSI      25.0    55.0 5.00E-01 type=2
  19 TRP   PHI    -135.0    75.0 5.00E-01 type=2 OR
  19 TRP   PSI     105.0   185.0 5.00E-01 type=2
  20 LEU   PHI    -175.0    75.0 5.00E-01 type=2
  20 LEU   PSI     -75.0   185.0 5.00E-01 type=2
  20 LEU   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  20 LEU   PSI      25.0    55.0 5.00E-01 type=2
  20 LEU   PHI    -135.0    75.0 5.00E-01 type=2 OR
  20 LEU   PSI     105.0   185.0 5.00E-01 type=2
  21 CYSS  PHI    -175.0    75.0 5.00E-01 type=2
  21 CYSS  PSI     -75.0   185.0 5.00E-01 type=2
  21 CYSS  PHI    -255.0   -25.0 5.00E-01 type=2 OR
  21 CYSS  PSI      25.0    55.0 5.00E-01 type=2
  21 CYSS  PHI    -135.0    75.0 5.00E-01 type=2 OR
  21 CYSS  PSI     105.0   185.0 5.00E-01 type=2
  25 ILE   PHI    -175.0    75.0 5.00E-01 type=2
  25 ILE   PSI     -75.0   185.0 5.00E-01 type=2
  25 ILE   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  25 ILE   PSI      25.0    55.0 5.00E-01 type=2
  25 ILE   PHI    -135.0    75.0 5.00E-01 type=2 OR
  25 ILE   PSI     105.0   185.0 5.00E-01 type=2
  26 ILE   PHI    -175.0    75.0 5.00E-01 type=2
  26 ILE   PSI     -75.0   185.0 5.00E-01 type=2
  26 ILE   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  26 ILE   PSI      25.0    55.0 5.00E-01 type=2
  26 ILE   PHI    -135.0    75.0 5.00E-01 type=2 OR
  26 ILE   PSI     105.0   185.0 5.00E-01 type=2
  28 PHE   PHI    -175.0    75.0 5.00E-01 type=2
  28 PHE   PSI     -75.0   185.0 5.00E-01 type=2
  28 PHE   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  28 PHE   PSI      25.0    55.0 5.00E-01 type=2
  28 PHE   PHI    -135.0    75.0 5.00E-01 type=2 OR
  28 PHE   PSI     105.0   185.0 5.00E-01 type=2
  29 CYSS  PHI    -175.0    75.0 5.00E-01 type=2
  29 CYSS  PSI     -75.0   185.0 5.00E-01 type=2
  29 CYSS  PHI    -255.0   -25.0 5.00E-01 type=2 OR
  29 CYSS  PSI      25.0    55.0 5.00E-01 type=2
  29 CYSS  PHI    -135.0    75.0 5.00E-01 type=2 OR
  29 CYSS  PSI     105.0   185.0 5.00E-01 type=2
  30 LEU   PHI    -175.0    75.0 5.00E-01 type=2
  30 LEU   PSI     -75.0   185.0 5.00E-01 type=2
  30 LEU   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  30 LEU   PSI      25.0    55.0 5.00E-01 type=2
  30 LEU   PHI    -135.0    75.0 5.00E-01 type=2 OR
  30 LEU   PSI     105.0   185.0 5.00E-01 type=2
   1 CYSS  CHI1    -90.0   210.0 2.00E-01 type=2
   1 CYSS  CHI1   -330.0   -30.0 2.00E-01 type=2
   1 CYSS  CHI1   -210.0    90.0 2.00E-01 type=2
   2 ILE   CHI1    -90.0   210.0 2.00E-01 type=2
   2 ILE   CHI1   -330.0   -30.0 2.00E-01 type=2
   2 ILE   CHI1   -210.0    90.0 2.00E-01 type=2
   2 ILE   CHI21   -90.0   210.0 2.00E-01 type=2
   2 ILE   CHI21  -330.0   -30.0 2.00E-01 type=2
   2 ILE   CHI21  -210.0    90.0 2.00E-01 type=2
   4 HIS   CHI1    -90.0   210.0 2.00E-01 type=2
   4 HIS   CHI1   -330.0   -30.0 2.00E-01 type=2
   4 HIS   CHI1   -210.0    90.0 2.00E-01 type=2
   5 TYR   CHI1    -90.0   210.0 2.00E-01 type=2
   5 TYR   CHI1   -330.0   -30.0 2.00E-01 type=2
   5 TYR   CHI1   -210.0    90.0 2.00E-01 type=2
   7 LYS   CHI1    -90.0   210.0 2.00E-01 type=2
   7 LYS   CHI1   -330.0   -30.0 2.00E-01 type=2
   7 LYS   CHI1   -210.0    90.0 2.00E-01 type=2
   7 LYS   CHI2    -90.0   210.0 2.00E-01 type=2
   7 LYS   CHI2   -330.0   -30.0 2.00E-01 type=2
   7 LYS   CHI2   -210.0    90.0 2.00E-01 type=2
   7 LYS   CHI3    -90.0   210.0 2.00E-01 type=2
   7 LYS   CHI3   -330.0   -30.0 2.00E-01 type=2
   7 LYS   CHI3   -210.0    90.0 2.00E-01 type=2
   7 LYS   CHI4    -90.0   210.0 2.00E-01 type=2
   7 LYS   CHI4   -330.0   -30.0 2.00E-01 type=2
   7 LYS   CHI4   -210.0    90.0 2.00E-01 type=2
   8 CYSS  CHI1    -90.0   210.0 2.00E-01 type=2
   8 CYSS  CHI1   -330.0   -30.0 2.00E-01 type=2
   8 CYSS  CHI1   -210.0    90.0 2.00E-01 type=2
   9 ASP   CHI1    -90.0   210.0 2.00E-01 type=2
   9 ASP   CHI1   -330.0   -30.0 2.00E-01 type=2
   9 ASP   CHI1   -210.0    90.0 2.00E-01 type=2
  11 ILE   CHI1    -90.0   210.0 2.00E-01 type=2
  11 ILE   CHI1   -330.0   -30.0 2.00E-01 type=2
  11 ILE   CHI1   -210.0    90.0 2.00E-01 type=2
  11 ILE   CHI21   -90.0   210.0 2.00E-01 type=2
  11 ILE   CHI21  -330.0   -30.0 2.00E-01 type=2
  11 ILE   CHI21  -210.0    90.0 2.00E-01 type=2
  12 ILE   CHI1    -90.0   210.0 2.00E-01 type=2
  12 ILE   CHI1   -330.0   -30.0 2.00E-01 type=2
  12 ILE   CHI1   -210.0    90.0 2.00E-01 type=2
  12 ILE   CHI21   -90.0   210.0 2.00E-01 type=2
  12 ILE   CHI21  -330.0   -30.0 2.00E-01 type=2
  12 ILE   CHI21  -210.0    90.0 2.00E-01 type=2
  13 ASN   CHI1    -90.0   210.0 2.00E-01 type=2
  13 ASN   CHI1   -330.0   -30.0 2.00E-01 type=2
  13 ASN   CHI1   -210.0    90.0 2.00E-01 type=2
  14 GLN   CHI1    -90.0   210.0 2.00E-01 type=2
  14 GLN   CHI1   -330.0   -30.0 2.00E-01 type=2
  14 GLN   CHI1   -210.0    90.0 2.00E-01 type=2
  14 GLN   CHI2    -90.0   210.0 2.00E-01 type=2
  14 GLN   CHI2   -330.0   -30.0 2.00E-01 type=2
  14 GLN   CHI2   -210.0    90.0 2.00E-01 type=2
  15 CYSS  CHI1    -90.0   210.0 2.00E-01 type=2
  15 CYSS  CHI1   -330.0   -30.0 2.00E-01 type=2
  15 CYSS  CHI1   -210.0    90.0 2.00E-01 type=2
  16 CYSS  CHI1    -90.0   210.0 2.00E-01 type=2
  16 CYSS  CHI1   -330.0   -30.0 2.00E-01 type=2
  16 CYSS  CHI1   -210.0    90.0 2.00E-01 type=2
  17 ASP   CHI1    -90.0   210.0 2.00E-01 type=2
  17 ASP   CHI1   -330.0   -30.0 2.00E-01 type=2
  17 ASP   CHI1   -210.0    90.0 2.00E-01 type=2
  19 TRP   CHI1    -90.0   210.0 2.00E-01 type=2
  19 TRP   CHI1   -330.0   -30.0 2.00E-01 type=2
  19 TRP   CHI1   -210.0    90.0 2.00E-01 type=2
  20 LEU   CHI1    -90.0   210.0 2.00E-01 type=2
  20 LEU   CHI1   -330.0   -30.0 2.00E-01 type=2
  20 LEU   CHI1   -210.0    90.0 2.00E-01 type=2
  20 LEU   CHI2    -90.0   210.0 2.00E-01 type=2
  20 LEU   CHI2   -330.0   -30.0 2.00E-01 type=2
  20 LEU   CHI2   -210.0    90.0 2.00E-01 type=2
  21 CYSS  CHI1    -90.0   210.0 2.00E-01 type=2
  21 CYSS  CHI1   -330.0   -30.0 2.00E-01 type=2
  21 CYSS  CHI1   -210.0    90.0 2.00E-01 type=2
  22 THR   CHI1    -90.0   210.0 2.00E-01 type=2
  22 THR   CHI1   -330.0   -30.0 2.00E-01 type=2
  22 THR   CHI1   -210.0    90.0 2.00E-01 type=2
  25 ILE   CHI1    -90.0   210.0 2.00E-01 type=2
  25 ILE   CHI1   -330.0   -30.0 2.00E-01 type=2
  25 ILE   CHI1   -210.0    90.0 2.00E-01 type=2
  25 ILE   CHI21   -90.0   210.0 2.00E-01 type=2
  25 ILE   CHI21  -330.0   -30.0 2.00E-01 type=2
  25 ILE   CHI21  -210.0    90.0 2.00E-01 type=2
  26 ILE   CHI1    -90.0   210.0 2.00E-01 type=2
  26 ILE   CHI1   -330.0   -30.0 2.00E-01 type=2
  26 ILE   CHI1   -210.0    90.0 2.00E-01 type=2
  26 ILE   CHI21   -90.0   210.0 2.00E-01 type=2
  26 ILE   CHI21  -330.0   -30.0 2.00E-01 type=2
  26 ILE   CHI21  -210.0    90.0 2.00E-01 type=2
  28 PHE   CHI1    -90.0   210.0 2.00E-01 type=2
  28 PHE   CHI1   -330.0   -30.0 2.00E-01 type=2
  28 PHE   CHI1   -210.0    90.0 2.00E-01 type=2
  29 CYSS  CHI1    -90.0   210.0 2.00E-01 type=2
  29 CYSS  CHI1   -330.0   -30.0 2.00E-01 type=2
  29 CYSS  CHI1   -210.0    90.0 2.00E-01 type=2
  30 LEU   CHI1    -90.0   210.0 2.00E-01 type=2
  30 LEU   CHI1   -330.0   -30.0 2.00E-01 type=2
  30 LEU   CHI1   -210.0    90.0 2.00E-01 type=2
  30 LEU   CHI2    -90.0   210.0 2.00E-01 type=2
  30 LEU   CHI2   -330.0   -30.0 2.00E-01 type=2
  30 LEU   CHI2   -210.0    90.0 2.00E-01 type=2
# Number of dimensions 2
#INAME 1 H
#INAME 2 H
   1   9.629   0.911 0 U         2.069e+002 0.00e+000 -   0  301  190 0
# H N13/HD1 I11
   2   0.911   9.629 0 U         -1.231e+002 0.00e+000 -   0  190  301 0
# HD1 I11/H N13
   3   2.746   3.725 0 U         8.739e+002 0.00e+000 -   0  222  302 0
# HB2 C21/HA N13
   4   3.725   2.746 0 U         8.198e+002 0.00e+000 -   0  302  222 0
# HA N13/HB2 C21
   5   8.123   4.176 0 U         2.160e+002 0.00e+000 -   0  232  207 0
# H I12/HA I11
   6   4.176   8.123 0 U         4.849e+000 0.00e+000 -   0  207  232 0
# HA I11/H I12
   7   3.849   8.009 0 U         4.881e+001 0.00e+000 -   0  273  315 0
# HD2 P24/H I25
   8   8.009   3.849 0 U         2.524e+002 0.00e+000 -   0  315  273 0
# H I25/HD2 P24
   9   7.774   8.009 0 U         7.475e+002 0.00e+000 -   0  317  315 0
# H I26/H I25
  10   8.009   7.774 0 U         8.915e+002 0.00e+000 -   0  315  317 0
# H I25/H I26
  11   7.774   4.094 0 U         2.328e+002 0.00e+000 -   0  317  320 0
# H I26/HA G27
  12   4.094   7.774 0 U         8.539e+001 0.00e+000 -   0  320  317 0
# HA G27/H I26
  13   9.261   3.230 0 U         7.069e+002 0.00e+000 -   0  234  247 0
# H I2/HB2 C8
  14   3.230   9.261 0 U         4.943e+002 0.00e+000 -   0  247  234 0
# HB2 C8/H I2
  15   4.305   8.163 0 U         1.715e+002 0.00e+000 -   0  173   78 0
# HB T22/H F28
  16   8.163   4.305 0 U         4.269e+002 0.00e+000 -   0   78  173 0
# H F28/HB T22
  17   7.304   8.676 0 U         1.138e+002 0.00e+000 -   0  356  220 0
# HD F28/H C21
  18   8.676   7.304 0 U         1.890e+002 0.00e+000 -   0  220  356 0
# H C21/HD F28
  19   2.286   8.047 0 U         3.272e+002 0.00e+000 -   0  287  180 0
# HG3 Q14/H C15
  20   8.047   2.286 0 U         2.413e+002 0.00e+000 -   0  180  287 0
# H C15/HG3 Q14
  21   4.557   8.010 0 U         -4.115e+002 0.00e+000 -   0  241  331 0
# HA L30/H Y5
  22   8.010   4.557 0 U         4.589e+002 0.00e+000 -   0  331  241 0
# H Y5/HA L30
  23   8.713   2.984 0 U         3.772e+002 0.00e+000 -   0  240  183 0
# H L30/HB3 C15
  24   2.984   8.713 0 U         2.736e+002 0.00e+000 -   0  183  240 0
# HB3 C15/H L30
  25   8.713   3.203 0 U         2.840e+002 0.00e+000 -   0  240  182 0
# H L30/HB2 C15
  26   3.203   8.713 0 U         1.648e+002 0.00e+000 -   0  182  240 0
# HB2 C15/H L30
  27   8.713   3.044 0 U         5.169e+002 0.00e+000 -   0  240  186 0
# H L30/HB2 C29
  28   3.044   8.713 0 U         3.567e+002 0.00e+000 -   0  186  240 0
# HB2 C29/H L30
  29   8.713   2.739 0 U         6.919e+002 0.00e+000 -   0  240  187 0
# H L30/HB3 C29
  30   2.739   8.713 0 U         4.968e+002 0.00e+000 -   0  187  240 0
# HB3 C29/H L30
  31   2.035   8.009 0 U         3.010e+002 0.00e+000 -   0  276  315 0
# HB3 P24/H I25
  32   8.009   2.035 0 U         3.168e+002 0.00e+000 -   0  315  276 0
# H I25/HB3 P24
  33   4.819   8.713 0 U         -1.071e+004 0.00e+000 -   0  332  240 0
# HA Y5/H L30
  34   8.713   4.819 0 U         1.827e+003 0.00e+000 -   0  240  332 0
# H L30/HA Y5
  35   8.010   4.199 0 U         2.260e+001 0.00e+000 -   0  331  282 0
# H Y5/HA2 G6
  36   4.199   8.010 0 U         5.809e+001 0.00e+000 -   0  282  331 0
# HA2 G6/H Y5
  37   8.787   4.065 0 U         -7.746e+002 0.00e+000 -   0  176  235 0
# H C16/HA I2
  38   4.065   8.787 0 U         -4.758e+002 0.00e+000 -   0  235  176 0
# HA I2/H C16
  39   8.787   8.047 0 U         1.942e+002 0.00e+000 -   0  176  180 0
# H C16/H C15
  40   8.047   8.787 0 U         1.435e+001 0.00e+000 -   0  180  176 0
# H C15/H C16
  41   8.434   8.787 0 U         5.050e+002 0.00e+000 -   0  339  176 0
# H D17/H C16
  42   8.787   8.434 0 U         9.015e+002 0.00e+000 -   0  176  339 0
# H C16/H D17
  43   8.397   8.438 0 U         -1.752e+004 0.00e+000 -   0  345  109 0
# H D9/H G10
  44   8.438   8.397 0 U         7.678e+002 0.00e+000 -   0  109  345 0
# H G10/H D9
  45   8.502   7.304 0 U         3.066e+002 0.00e+000 -   0  245  356 0
# H C8/HD F28
  46   7.304   8.502 0 U         2.285e+002 0.00e+000 -   0  356  245 0
# HD F28/H C8
  47   7.774   7.701 0 U         6.058e+003 0.00e+000 -   0  317  319 0
# H I26/H G27
  48   7.701   7.774 0 U         2.946e+002 0.00e+000 -   0  319  317 0
# H G27/H I26
  49   7.388   9.429 0 U         2.486e+002 0.00e+000 -   0  379    9 0
# HE3 W19/H L20
  50   9.429   7.388 0 U         7.439e+001 0.00e+000 -   0    9  379 0
# H L20/HE3 W19
  51   8.781   1.453 0 U         2.030e+002 0.00e+000 -   0  311  261 0
# H W19/HG L20
  52   1.453   8.781 0 U         7.960e+000 0.00e+000 -   0  261  311 0
# HG L20/H W19
  53   8.713   1.576 0 U         4.910e+002 0.00e+000 -   0  240  103 0
# H L30/HB L20
  54   1.576   8.713 0 U         1.099e+002 0.00e+000 -   0  103  240 0
# HB L20/H L30
  55   0.887   8.713 0 U         4.454e+002 0.00e+000 -   0  105  240 0
# HD1 L20/H L30
  56   8.713   0.887 0 U         2.039e+002 0.00e+000 -   0  240  105 0
# H L30/HD1 L20
  57   8.713   8.950 0 U         3.256e+002 0.00e+000 -   0  240  184 0
# H L30/H C29
  58   8.950   8.713 0 U         1.301e+003 0.00e+000 -   0  184  240 0
# H C29/H L30
  59   7.304   8.950 0 U         2.814e+002 0.00e+000 -   0  356  184 0
# HD F28/H C29
  60   8.950   7.304 0 U         5.228e+002 0.00e+000 -   0  184  356 0
# H C29/HD F28
  61   8.713   9.429 0 U         5.250e+002 0.00e+000 -   0  240    9 0
# H L30/H L20
  62   9.429   8.713 0 U         8.081e+002 0.00e+000 -   0    9  240 0
# H L20/H L30
  63   8.713   8.676 0 U         5.120e+004 0.00e+000 -   0  240  220 0
# H L30/H C21
  64   8.676   8.713 0 U         8.815e+003 0.00e+000 -   0  220  240 0
# H C21/H L30
  65   1.148   1.055 0 U         -6.589e+003 0.00e+000 -   0  205  329 0
# HG2 I11/HG2 I25
  66   1.055   1.148 0 U         -8.401e+003 0.00e+000 -   0  329  205 0
# HG2 I25/HG2 I11
  67   1.900   4.111 0 U         9.385e+002 0.00e+000 -   0  249  181 0
# HB I2/HA C15
  68   4.111   1.900 0 U         1.024e+002 0.00e+000 -   0  181  249 0
# HA C15/HB I2
  69   4.305   9.429 0 U         -1.015e+002 0.00e+000 -   0  173    9 0
# HB T22/H L20
  70   9.429   4.305 0 U         2.987e+002 0.00e+000 -   0    9  173 0
# H L20/HB T22
  71   4.305   8.713 0 U         5.422e+001 0.00e+000 -   0  173  240 0
# HB T22/H L30
  72   8.713   4.305 0 U         2.637e+002 0.00e+000 -   0  240  173 0
# H L30/HB T22
  73   3.976   8.009 0 U         2.917e+003 0.00e+000 -   0  272  315 0
# HA P24/H I25
  74   8.009   3.976 0 U         2.713e+003 0.00e+000 -   0  315  272 0
# H I25/HA P24
  75   2.725   8.950 0 U         6.233e+001 0.00e+000 -   0   89  184 0
# HB2 F28/H C29
  76   8.950   2.725 0 U         1.960e+003 0.00e+000 -   0  184   89 0
# H C29/HB2 F28
  77   2.739   8.676 0 U         -2.828e+002 0.00e+000 -   0  187  220 0
# HB3 C29/H C21
  78   8.676   2.739 0 U         1.659e+002 0.00e+000 -   0  220  187 0
# H C21/HB3 C29
  79   8.676   3.044 0 U         4.283e+002 0.00e+000 -   0  220  186 0
# H C21/HB2 C29
  80   3.044   8.676 0 U         1.436e+002 0.00e+000 -   0  186  220 0
# HB2 C29/H C21
  81   8.676   1.576 0 U         1.029e+002 0.00e+000 -   0  220  103 0
# H C21/HB L20
  82   1.576   8.676 0 U         4.605e+001 0.00e+000 -   0  103  220 0
# HB L20/H C21
  83   7.826   4.664 0 U         3.662e+002 0.00e+000 -   0  366  290 0
# HE1 Y5/HA H4
  84   4.664   7.826 0 U         4.029e+002 0.00e+000 -   0  290  366 0
# HA H4/HE1 Y5
  85   3.571   1.106 0 U         1.881e+003 0.00e+000 -   0  281  251 0
# HA3 G6/HG2 I2
  86   1.106   3.571 0 U         3.587e+003 0.00e+000 -   0  251  281 0
# HG2 I2/HA3 G6
  87   3.849   4.094 0 U         9.577e+002 0.00e+000 -   0  273  320 0
# HD2 P24/HA G27
  88   4.094   3.849 0 U         4.137e+002 0.00e+000 -   0  320  273 0
# HA G27/HD2 P24
  89   7.304   4.094 0 U         1.832e+003 0.00e+000 -   0  356  320 0
# HD F28/HA G27
  90   4.094   7.304 0 U         3.528e+002 0.00e+000 -   0  320  356 0
# HA G27/HD F28
  91   7.373   4.094 0 U         5.793e+002 0.00e+000 -   0  357  320 0
# HZ F28/HA G27
  92   4.094   7.373 0 U         6.024e+001 0.00e+000 -   0  320  357 0
# HA G27/HZ F28
  93   8.787   9.261 0 U         1.305e+002 0.00e+000 -   0  176  234 0
# H C16/H I2
  94   9.261   8.787 0 U         8.301e+001 0.00e+000 -   0  234  176 0
# H I2/H C16
  95   8.010   3.434 0 U         -5.438e+002 0.00e+000 -   0  331  291 0
# H Y5/HB2 H4
  96   3.434   8.010 0 U         2.570e+001 0.00e+000 -   0  291  331 0
# HB2 H4/H Y5
  97   1.810   1.046 0 U         -2.315e+002 0.00e+000 -   0  327  325 0
# HB I25/HG2 I26
  98   1.046   1.810 0 U         4.659e+003 0.00e+000 -   0  325  327 0
# HG2 I26/HB I25
  99   1.882   1.810 0 U         5.914e+004 0.00e+000 -   0  323  327 0
# HB I26/HB I25
 100   1.810   1.882 0 U         3.440e+004 0.00e+000 -   0  327  323 0
# HB I25/HB I26
 101   1.436   7.774 0 U         1.648e+002 0.00e+000 -   0  328  317 0
# HG1 I25/H I26
 102   7.774   1.436 0 U         2.113e+002 0.00e+000 -   0  317  328 0
# H I26/HG1 I25
 103   1.882   7.701 0 U         4.607e+000 0.00e+000 -   0  323  319 0
# HB I26/H G27
 104   7.701   1.882 0 U         2.207e+002 0.00e+000 -   0  319  323 0
# H G27/HB I26
 105   7.701   1.046 0 U         3.152e+002 0.00e+000 -   0  319  325 0
# H G27/HG2 I26
 106   1.046   7.701 0 U         2.466e+001 0.00e+000 -   0  325  319 0
# HG2 I26/H G27
 107   0.855   7.701 0 U         1.008e+003 0.00e+000 -   0  326  319 0
# HD1 I26/H G27
 108   7.701   0.855 0 U         1.028e+003 0.00e+000 -   0  319  326 0
# H G27/HD1 I26
 109   7.701   1.406 0 U         2.955e+002 0.00e+000 -   0  319  199 0
# H G27/HG2 K7
 110   1.406   7.701 0 U         1.616e+002 0.00e+000 -   0  199  319 0
# HG2 K7/H G27
 111   1.030   1.576 0 U         2.186e+003 0.00e+000 -   0  244  103 0
# HD L30/HB L20
 112   1.576   1.030 0 U         1.056e+003 0.00e+000 -   0  103  244 0
# HB L20/HD L30
 113   7.011   2.837 0 U         1.978e+002 0.00e+000 -   0  367  178 0
# HE2 Y5/HB2 C16
 114   2.837   7.011 0 U         7.426e+002 0.00e+000 -   0  178  367 0
# HB2 C16/HE2 Y5
 115   2.707   7.011 0 U         6.884e+002 0.00e+000 -   0  179  367 0
# HB3 C16/HE2 Y5
 116   7.011   2.707 0 U         2.318e+002 0.00e+000 -   0  367  179 0
# HE2 Y5/HB3 C16
 117   7.011   0.875 0 U         1.581e+002 0.00e+000 -   0  367  298 0
# HE2 Y5/HD1 I12
 118   0.875   7.011 0 U         2.459e+002 0.00e+000 -   0  298  367 0
# HD1 I12/HE2 Y5
 119   0.917   6.260 0 U         4.607e+002 0.00e+000 -   0  250  310 0
# HD1 I2/HD22 N13
 120   6.260   0.917 0 U         1.237e+003 0.00e+000 -   0  310  250 0
# HD22 N13/HD1 I2
 121   0.917   6.624 0 U         6.299e+001 0.00e+000 -   0  250  307 0
# HD1 I2/HD21 N13
 122   6.624   0.917 0 U         4.643e+003 0.00e+000 -   0  307  250 0
# HD21 N13/HD1 I2
 123   8.502   1.572 0 U         1.833e+002 0.00e+000 -   0  245  202 0
# H C8/HD K7
 124   1.572   8.502 0 U         -4.870e+001 0.00e+000 -   0  202  245 0
# HD K7/H C8
 125   8.502   1.406 0 U         8.159e+001 0.00e+000 -   0  245  199 0
# H C8/HG2 K7
 126   1.406   8.502 0 U         3.249e+001 0.00e+000 -   0  199  245 0
# HG2 K7/H C8
 127   8.502   2.948 0 U         1.007e+002 0.00e+000 -   0  245  197 0
# H C8/HE2 K7
 128   2.948   8.502 0 U         7.407e+001 0.00e+000 -   0  197  245 0
# HE2 K7/H C8
 129   2.750   8.502 0 U         7.156e+002 0.00e+000 -   0  198  245 0
# HE3 K7/H C8
 130   8.502   2.750 0 U         1.833e+003 0.00e+000 -   0  245  198 0
# H C8/HE3 K7
 131   8.502   1.725 0 U         4.895e+002 0.00e+000 -   0  245  201 0
# H C8/HB2 K7
 132   1.725   8.502 0 U         9.494e+001 0.00e+000 -   0  201  245 0
# HB2 K7/H C8
 133   8.502   1.250 0 U         4.881e+002 0.00e+000 -   0  245  200 0
# H C8/HG3 K7
 134   1.250   8.502 0 U         2.931e+002 0.00e+000 -   0  200  245 0
# HG3 K7/H C8
 135   8.343   1.106 0 U         1.847e+003 0.00e+000 -   0  191  251 0
# H K7/HG2 I2
 136   1.106   8.343 0 U         9.637e+002 0.00e+000 -   0  251  191 0
# HG2 I2/H K7
 137   0.917   8.343 0 U         4.775e+002 0.00e+000 -   0  250  191 0
# HD1 I2/H K7
 138   8.343   0.917 0 U         1.275e+003 0.00e+000 -   0  191  250 0
# H K7/HD1 I2
 139   8.950   1.106 0 U         4.160e+001 0.00e+000 -   0  184  251 0
# H C29/HG2 I2
 140   1.106   8.950 0 U         -1.856e+002 0.00e+000 -   0  251  184 0
# HG2 I2/H C29
 141   8.838   1.106 0 U         -4.931e+001 0.00e+000 -   0  279  251 0
# H G6/HG2 I2
 142   1.106   8.838 0 U         5.097e+001 0.00e+000 -   0  251  279 0
# HG2 I2/H G6
 143   1.900   8.838 0 U         -2.731e+001 0.00e+000 -   0  249  279 0
# HB I2/H G6
 144   8.838   1.900 0 U         2.344e+002 0.00e+000 -   0  279  249 0
# H G6/HB I2
 145   8.376   1.055 0 U         3.052e+002 0.00e+000 -   0  188  329 0
# H I11/HG2 I25
 146   1.055   8.376 0 U         1.976e+002 0.00e+000 -   0  329  188 0
# HG2 I25/H I11
 147   8.376   1.436 0 U         8.335e+002 0.00e+000 -   0  188  328 0
# H I11/HG1 I25
 148   1.436   8.376 0 U         4.121e+002 0.00e+000 -   0  328  188 0
# HG1 I25/H I11
 149   7.011   8.085 0 U         4.116e+002 0.00e+000 -   0  367  381 0
# HE2 Y5/HD2 H4
 150   8.085   7.011 0 U         6.079e+002 0.00e+000 -   0  381  367 0
# HD2 H4/HE2 Y5
 151   2.325   8.085 0 U         5.457e+002 0.00e+000 -   0  348  381 0
# HB2 W19/HD2 H4
 152   8.085   2.325 0 U         7.853e+002 0.00e+000 -   0  381  348 0
# HD2 H4/HB2 W19
 153   6.957   6.957 0 U         2.481e+004 0.00e+000 -   0  382  382 0
# HE1/HE1 H4
 154   6.957   2.614 0 U         4.139e+002 0.00e+000 -   0  382  292 0
# HE1/HB3 H4
 155   6.957   3.434 0 U         1.551e+002 0.00e+000 -   0  382  291 0
# HE1/HB2 H4
 156   6.957   4.664 0 U         1.320e+002 0.00e+000 -   0  382  290 0
# HE1/HA H4
 157   6.957  10.038 0 U         9.475e+001 0.00e+000 -   0  382  289 0
# HE1/H H4
 158   6.957   8.085 0 U         1.016e+003 0.00e+000 -   0  382  381 0
# HE1/HD2 H4
 159   2.614   6.957 0 U         2.317e+002 0.00e+000 -   0  292  382 0
# HB3/HE1 H4
 160   3.434   6.957 0 U         2.885e+001 0.00e+000 -   0  291  382 0
# HB2/HE1 H4
 161   4.664   6.957 0 U         6.362e+002 0.00e+000 -   0  290  382 0
# HA/HE1 H4
 162  10.038   6.957 0 U         1.685e+002 0.00e+000 -   0  289  382 0
# H/HE1 H4
 163   8.085   6.957 0 U         1.760e+003 0.00e+000 -   0  381  382 0
# HD2/HE1 H4
 164   2.614   8.085 0 U         7.821e+001 0.00e+000 -   0  292  381 0
# HB3/HD2 H4
 165   3.434   8.085 0 U         2.062e+001 0.00e+000 -   0  291  381 0
# HB2/HD2 H4
 166   4.664   8.085 0 U         -8.224e+002 0.00e+000 -   0  290  381 0
# HA/HD2 H4
 167  10.038   8.085 0 U         -2.234e+001 0.00e+000 -   0  289  381 0
# H/HD2 H4
 168   8.085   2.614 0 U         6.917e+001 0.00e+000 -   0  381  292 0
# HD2/HB3 H4
 169   8.085   3.434 0 U         -9.830e+000 0.00e+000 -   0  381  291 0
# HD2/HB2 H4
 170   8.085   4.664 0 U         -1.100e+002 0.00e+000 -   0  381  290 0
# HD2/HA H4
 171   8.085  10.038 0 U         2.760e+000 0.00e+000 -   0  381  289 0
# HD2/H H4
 172   8.085   8.085 0 U         1.692e+004 0.00e+000 -   0  381  381 0
# HD2/HD2 H4
 173   8.123   1.148 0 U         2.217e+001 0.00e+000 -   0  232  205 0
# H I12/HG2 I11
 174   1.148   8.123 0 U         -1.067e+002 0.00e+000 -   0  205  232 0
# HG2 I11/H I12
 175   1.900   8.787 0 U         6.805e+002 0.00e+000 -   0  249  176 0
# HB I2/H C16
 176   8.787   1.900 0 U         -1.830e+001 0.00e+000 -   0  176  249 0
# H C16/HB I2
 177   8.009   2.335 0 U         6.952e+002 0.00e+000 -   0  315  275 0
# H I25/HB2 P24
 178   2.335   8.009 0 U         1.581e+002 0.00e+000 -   0  275  315 0
# HB2 P24/H I25
 179  10.038   6.914 0 U         1.346e+002 0.00e+000 -   0  289  353 0
# H H4/HD1 W19
 180   6.914  10.038 0 U         -1.497e+001 0.00e+000 -   0  353  289 0
# HD1 W19/H H4
 181   2.837   8.047 0 U         -2.698e+001 0.00e+000 -   0  178  180 0
# HB2 C16/H C15
 182   8.047   2.837 0 U         7.373e+001 0.00e+000 -   0  180  178 0
# H C15/HB2 C16
 183   8.010   3.044 0 U         1.382e+002 0.00e+000 -   0  331  186 0
# H Y5/HB2 C29
 184   3.044   8.010 0 U         -1.379e+001 0.00e+000 -   0  186  331 0
# HB2 C29/H Y5
 185   8.438   1.865 0 U         3.421e+002 0.00e+000 -   0  109  203 0
# H G10/HB I11
 186   1.865   8.438 0 U         2.533e+001 0.00e+000 -   0  203  109 0
# HB I11/H G10
 187   2.797   8.438 0 U         8.593e+002 0.00e+000 -   0  347  109 0
# HB D9/H G10
 188   8.438   2.797 0 U         4.490e+003 0.00e+000 -   0  109  347 0
# H G10/HB D9
 189   8.713   1.875 0 U         6.874e+002 0.00e+000 -   0  240  358 0
# H L30/HB3 W19
 190   1.875   8.713 0 U         5.613e+002 0.00e+000 -   0  358  240 0
# HB3 W19/H L30
 191   6.819   2.340 0 U         -1.326e+002 0.00e+000 -   0  380  374 0
# HZ3 W19/HD P18
 192   2.340   6.819 0 U         1.269e+002 0.00e+000 -   0  374  380 0
# HD P18/HZ3 W19
 193   8.397   3.230 0 U         4.796e+002 0.00e+000 -   0  345  247 0
# H D9/HB2 C8
 194   3.230   8.397 0 U         6.967e+002 0.00e+000 -   0  247  345 0
# HB2 C8/H D9
 195   8.397   2.856 0 U         1.638e+003 0.00e+000 -   0  345  248 0
# H D9/HB3 C8
 196   2.856   8.397 0 U         2.023e+003 0.00e+000 -   0  248  345 0
# HB3 C8/H D9
 197   2.837   6.914 0 U         1.024e+002 0.00e+000 -   0  178  353 0
# HB2 C16/HD1 W19
 198   6.914   2.837 0 U         1.506e+001 0.00e+000 -   0  353  178 0
# HD1 W19/HB2 C16
 199   2.707   6.914 0 U         8.386e+001 0.00e+000 -   0  179  353 0
# HB3 C16/HD1 W19
 200   6.914   2.707 0 U         1.930e+002 0.00e+000 -   0  353  179 0
# HD1 W19/HB3 C16
 201   8.434   2.837 0 U         4.079e+003 0.00e+000 -   0  339  178 0
# H D17/HB2 C16
 202   2.837   8.434 0 U         1.644e+003 0.00e+000 -   0  178  339 0
# HB2 C16/H D17
 203   2.707   8.434 0 U         2.376e+002 0.00e+000 -   0  179  339 0
# HB3 C16/H D17
 204   8.434   2.707 0 U         4.598e+002 0.00e+000 -   0  339  179 0
# H D17/HB3 C16
 205   9.384   1.576 0 U         9.743e+002 0.00e+000 -   0  171  103 0
# H T22/HB L20
 206   1.576   9.384 0 U         8.751e+002 0.00e+000 -   0  103  171 0
# HB L20/H T22
 207   9.384   1.453 0 U         2.769e+002 0.00e+000 -   0  171  261 0
# H T22/HG L20
 208   1.453   9.384 0 U         4.050e+002 0.00e+000 -   0  261  171 0
# HG L20/H T22
 209   9.384   4.695 0 U         4.321e+002 0.00e+000 -   0  171   51 0
# H T22/HA L20
 210   4.695   9.384 0 U         5.800e+002 0.00e+000 -   0   51  171 0
# HA L20/H T22
 211   8.009   3.924 0 U         2.200e+003 0.00e+000 -   0  315  219 0
# H I25/HA3 G10
 212   3.924   8.009 0 U         5.164e+001 0.00e+000 -   0  219  315 0
# HA3 G10/H I25
 213   4.259   8.950 0 U         6.280e+001 0.00e+000 -   0  229  184 0
# HA K7/H C29
 214   8.950   4.259 0 U         3.698e+002 0.00e+000 -   0  184  229 0
# H C29/HA K7
 215   7.304   1.250 0 U         1.302e+003 0.00e+000 -   0  356  200 0
# HD F28/HG3 K7
 216   1.250   7.304 0 U         1.961e+002 0.00e+000 -   0  200  356 0
# HG3 K7/HD F28
 217   7.373   1.250 0 U         1.888e+003 0.00e+000 -   0  357  200 0
# HZ F28/HG3 K7
 218   1.250   7.373 0 U         4.318e+002 0.00e+000 -   0  200  357 0
# HG3 K7/HZ F28
 219   7.304   1.406 0 U         3.972e+002 0.00e+000 -   0  356  199 0
# HD F28/HG2 K7
 220   1.406   7.304 0 U         8.957e-001 0.00e+000 -   0  199  356 0
# HG2 K7/HD F28
 221   7.373   1.406 0 U         6.075e+002 0.00e+000 -   0  357  199 0
# HZ F28/HG2 K7
 222   1.406   7.373 0 U         1.194e+002 0.00e+000 -   0  199  357 0
# HG2 K7/HZ F28
 223   1.572   7.304 0 U         1.860e+002 0.00e+000 -   0  202  356 0
# HD K7/HD F28
 224   7.304   1.572 0 U         9.020e+002 0.00e+000 -   0  356  202 0
# HD F28/HD K7
 225   7.373   1.572 0 U         9.185e+002 0.00e+000 -   0  357  202 0
# HZ F28/HD K7
 226   1.572   7.373 0 U         3.045e+002 0.00e+000 -   0  202  357 0
# HD K7/HZ F28
 227   7.304   1.725 0 U         3.541e+002 0.00e+000 -   0  356  201 0
# HD F28/HB2 K7
 228   1.725   7.304 0 U         6.233e+001 0.00e+000 -   0  201  356 0
# HB2 K7/HD F28
 229   7.373   1.725 0 U         4.395e+002 0.00e+000 -   0  357  201 0
# HZ F28/HB2 K7
 230   1.725   7.373 0 U         1.039e+002 0.00e+000 -   0  201  357 0
# HB2 K7/HZ F28
 231   7.304   4.259 0 U         3.636e+003 0.00e+000 -   0  356  229 0
# HD F28/HA K7
 232   4.259   7.304 0 U         3.586e+002 0.00e+000 -   0  229  356 0
# HA K7/HD F28
 233   7.373   4.259 0 U         8.882e+002 0.00e+000 -   0  357  229 0
# HZ F28/HA K7
 234   4.259   7.373 0 U         -1.233e+001 0.00e+000 -   0  229  357 0
# HA K7/HZ F28
 235   3.504   8.009 0 U         3.516e+003 0.00e+000 -   0  372  315 0
# HA P18/H I25
 236   8.009   3.504 0 U         -2.089e+003 0.00e+000 -   0  315  372 0
# H I25/HA P18
 237   9.384   4.094 0 U         1.129e+003 0.00e+000 -   0  171  320 0
# H T22/HA G27
 238   4.094   9.384 0 U         7.148e+001 0.00e+000 -   0  320  171 0
# HA G27/H T22
 239   4.982   8.009 0 U         8.831e+002 0.00e+000 -   0  246  315 0
# HA C8/H I25
 240   8.009   4.982 0 U         5.494e+001 0.00e+000 -   0  315  246 0
# H I25/HA C8
 241   4.982   7.701 0 U         -5.676e+002 0.00e+000 -   0  246  319 0
# HA C8/H G27
 242   7.701   4.982 0 U         2.867e+002 0.00e+000 -   0  319  246 0
# H G27/HA C8
 243   9.384   5.472 0 U         1.399e+002 0.00e+000 -   0  171   79 0
# H T22/HA F28
 244   5.472   9.384 0 U         -3.129e+001 0.00e+000 -   0   79  171 0
# HA F28/H T22
 245   9.384   5.534 0 U         -9.937e-001 0.00e+000 -   0  171  338 0
# H T22/HA C21
 246   5.534   9.384 0 U         -3.273e+001 0.00e+000 -   0  338  171 0
# HA C21/H T22
 247   8.787   4.882 0 U         8.357e+000 0.00e+000 -   0  176  369 0
# H C16/HA A3
 248   4.882   8.787 0 U         1.447e+003 0.00e+000 -   0  369  176 0
# HA A3/H C16
 249   3.941   8.438 0 U         1.944e+002 0.00e+000 -   0  346  109 0
# HA D9/H G10
 250   8.438   3.941 0 U         1.897e+003 0.00e+000 -   0  109  346 0
# H G10/HA D9
 251   8.644   3.293 0 U         1.474e+002 0.00e+000 -   0  283  303 0
# H Q14/HB2 N13
 252   3.293   8.644 0 U         1.279e+002 0.00e+000 -   0  303  283 0
# HB2 N13/H Q14
 253   8.644   3.048 0 U         2.446e+002 0.00e+000 -   0  283  304 0
# H Q14/HB3 N13
 254   3.048   8.644 0 U         2.812e+002 0.00e+000 -   0  304  283 0
# HB3 N13/H Q14
 255   9.261   4.882 0 U         1.552e+003 0.00e+000 -   0  234  369 0
# H I2/HA A3
 256   4.882   9.261 0 U         2.101e+003 0.00e+000 -   0  369  234 0
# HA A3/H I2
 257   6.819   6.819 0 U         -2.642e+005 0.00e+000 -   0  380  380 0
# HZ3/HZ3 W19
 258   6.819   8.781 0 U         -1.275e+001 0.00e+000 -   0  380  311 0
# HZ3/H W19
 259   6.819   9.725 0 U         -2.800e+001 0.00e+000 -   0  380  352 0
# HZ3/HE1 W19
 260   6.819   7.070 0 U         3.023e+003 0.00e+000 -   0  380  378 0
# HZ3/HZ2 W19
 261   6.819   7.388 0 U         8.018e+002 0.00e+000 -   0  380  379 0
# HZ3/HE3 W19
 262   6.819   2.325 0 U         1.913e+002 0.00e+000 -   0  380  348 0
# HZ3/HB2 W19
 263   6.819   1.875 0 U         1.374e+001 0.00e+000 -   0  380  358 0
# HZ3/HB3 W19
 264   6.819   6.914 0 U         4.967e+003 0.00e+000 -   0  380  353 0
# HZ3/HD1 W19
 265   6.819   4.747 0 U         -6.470e+000 0.00e+000 -   0  380  312 0
# HZ3/HA W19
 266   8.781   6.819 0 U         5.800e+001 0.00e+000 -   0  311  380 0
# H/HZ3 W19
 267   9.725   6.819 0 U         1.104e+002 0.00e+000 -   0  352  380 0
# HE1/HZ3 W19
 268   7.070   6.819 0 U         4.889e+003 0.00e+000 -   0  378  380 0
# HZ2/HZ3 W19
 269   7.388   6.819 0 U         1.764e+003 0.00e+000 -   0  379  380 0
# HE3/HZ3 W19
 270   2.325   6.819 0 U         2.109e+002 0.00e+000 -   0  348  380 0
# HB2/HZ3 W19
 271   1.875   6.819 0 U         4.969e+001 0.00e+000 -   0  358  380 0
# HB3/HZ3 W19
 272   6.914   6.819 0 U         7.018e+003 0.00e+000 -   0  353  380 0
# HD1/HZ3 W19
 273   4.747   6.819 0 U         1.704e+003 0.00e+000 -   0  312  380 0
# HA/HZ3 W19
 274   8.781   7.388 0 U         -7.919e+001 0.00e+000 -   0  311  379 0
# H/HE3 W19
 275   9.725   7.388 0 U         -1.360e+000 0.00e+000 -   0  352  379 0
# HE1/HE3 W19
 276   7.070   7.388 0 U         -1.452e+002 0.00e+000 -   0  378  379 0
# HZ2/HE3 W19
 277   7.388   8.781 0 U         -6.017e+001 0.00e+000 -   0  379  311 0
# HE3/H W19
 278   7.388   9.725 0 U         6.594e+001 0.00e+000 -   0  379  352 0
# HE3/HE1 W19
 279   7.388   7.070 0 U         2.308e+002 0.00e+000 -   0  379  378 0
# HE3/HZ2 W19
 280   7.388   7.388 0 U         -9.148e+004 0.00e+000 -   0  379  379 0
# HE3/HE3 W19
 281   7.388   2.325 0 U         -1.028e+001 0.00e+000 -   0  379  348 0
# HE3/HB2 W19
 282   7.388   1.875 0 U         -6.361e+001 0.00e+000 -   0  379  358 0
# HE3/HB3 W19
 283   7.388   6.914 0 U         5.300e+002 0.00e+000 -   0  379  353 0
# HE3/HD1 W19
 284   7.388   4.747 0 U         1.112e+003 0.00e+000 -   0  379  312 0
# HE3/HA W19
 285   2.325   7.388 0 U         -5.496e+001 0.00e+000 -   0  348  379 0
# HB2/HE3 W19
 286   1.875   7.388 0 U         -7.854e+000 0.00e+000 -   0  358  379 0
# HB3/HE3 W19
 287   6.914   7.388 0 U         2.736e+002 0.00e+000 -   0  353  379 0
# HD1/HE3 W19
 288   4.747   7.388 0 U         3.864e+002 0.00e+000 -   0  312  379 0
# HA/HE3 W19
 289   8.781   7.070 0 U         -1.097e+002 0.00e+000 -   0  311  378 0
# H/HZ2 W19
 290   9.725   7.070 0 U         9.573e+002 0.00e+000 -   0  352  378 0
# HE1/HZ2 W19
 291   7.070   8.781 0 U         5.071e+001 0.00e+000 -   0  378  311 0
# HZ2/H W19
 292   7.070   9.725 0 U         1.070e+003 0.00e+000 -   0  378  352 0
# HZ2/HE1 W19
 293   7.070   7.070 0 U         5.550e+004 0.00e+000 -   0  378  378 0
# HZ2/HZ2 W19
 294   7.070   2.325 0 U         1.440e+002 0.00e+000 -   0  378  348 0
# HZ2/HB2 W19
 295   7.070   1.875 0 U         -4.517e+001 0.00e+000 -   0  378  358 0
# HZ2/HB3 W19
 296   7.070   6.914 0 U         3.817e+003 0.00e+000 -   0  378  353 0
# HZ2/HD1 W19
 297   7.070   4.747 0 U         4.904e+001 0.00e+000 -   0  378  312 0
# HZ2/HA W19
 298   2.325   7.070 0 U         1.224e+001 0.00e+000 -   0  348  378 0
# HB2/HZ2 W19
 299   1.875   7.070 0 U         -9.482e+001 0.00e+000 -   0  358  378 0
# HB3/HZ2 W19
 300   6.914   7.070 0 U         1.540e+003 0.00e+000 -   0  353  378 0
# HD1/HZ2 W19
 301   4.747   7.070 0 U         2.007e+002 0.00e+000 -   0  312  378 0
# HA/HZ2 W19
 302   8.781   6.914 0 U         -1.099e+002 0.00e+000 -   0  311  353 0
# H/HD1 W19
 303   9.725   6.914 0 U         2.576e+003 0.00e+000 -   0  352  353 0
# HE1/HD1 W19
 304   2.325   6.914 0 U         1.486e+002 0.00e+000 -   0  348  353 0
# HB2/HD1 W19
 305   1.875   6.914 0 U         -4.816e+001 0.00e+000 -   0  358  353 0
# HB3/HD1 W19
 306   6.914   8.781 0 U         7.086e+001 0.00e+000 -   0  353  311 0
# HD1/H W19
 307   6.914   9.725 0 U         1.706e+003 0.00e+000 -   0  353  352 0
# HD1/HE1 W19
 308   6.914   2.325 0 U         1.144e+002 0.00e+000 -   0  353  348 0
# HD1/HB2 W19
 309   6.914   1.875 0 U         -5.970e+000 0.00e+000 -   0  353  358 0
# HD1/HB3 W19
 310   6.914   6.914 0 U         5.858e+004 0.00e+000 -   0  353  353 0
# HD1/HD1 W19
 311   6.914   4.747 0 U         1.228e+002 0.00e+000 -   0  353  312 0
# HD1/HA W19
 312   4.747   6.914 0 U         -1.391e+003 0.00e+000 -   0  312  353 0
# HA/HD1 W19
 313   8.773   8.773 0 U         -9.354e+004 0.00e+000 -   0  368  368 0
# H/H A3
 314   8.773   4.065 0 U         6.637e+002 0.00e+000 -   0  368  235 0
# H A3/HA I2
 315   8.773   1.366 0 U         -1.007e+000 0.00e+000 -   0  368  370 0
# H/HB A3
 316   8.773   4.882 0 U         1.868e+002 0.00e+000 -   0  368  369 0
# H/HA A3
 317   4.305   4.305 0 U         1.793e+004 0.00e+000 -   0  173  173 0
# HB/HB T22
 318   4.305   4.434 0 U         3.377e+002 0.00e+000 -   0  173  172 0
# HB/HA T22
 319   4.305   9.384 0 U         3.306e+002 0.00e+000 -   0  173  171 0
# HB/H T22
 320   4.305   1.258 0 U         1.249e+003 0.00e+000 -   0  173  174 0
# HB/HG1 T22
 321   3.488   3.488 0 U         4.914e+004 0.00e+000 -   0  333  333 0
# HB2/HB2 Y5
 322   3.488   8.434 0 U         9.286e+001 0.00e+000 -   0  333  339 0
# HB2 Y5/H D17
 323   3.488   4.819 0 U         1.698e+001 0.00e+000 -   0  333  332 0
# HB2/HA Y5
 324   3.488   7.011 0 U         2.640e+001 0.00e+000 -   0  333  367 0
# HB2/HE2 Y5
 325   3.488   8.010 0 U         7.619e+002 0.00e+000 -   0  333  331 0
# HB2/H Y5
 326   3.488   8.397 0 U         2.462e+002 0.00e+000 -   0  333  345 0
# HB2 Y5/H D9
 327   3.488   7.826 0 U         2.289e+002 0.00e+000 -   0  333  366 0
# HB2/HE1 Y5
 328   3.488   2.345 0 U         -1.326e+003 0.00e+000 -   0  333  334 0
# HB2/HB3 Y5
 329   1.430   1.430 0 U         1.545e+006 0.00e+000 -   0  324  324 0
# HG1/HG1 I26
 330   1.430   4.389 0 U         6.975e+002 0.00e+000 -   0  324  318 0
# HG1/HA I26
 331   1.430   7.774 0 U         1.327e+002 0.00e+000 -   0  324  317 0
# HG1/H I26
 332   1.430   1.882 0 U         3.132e+003 0.00e+000 -   0  324  323 0
# HG1/HB I26
 333   1.430   0.855 0 U         1.345e+003 0.00e+000 -   0  324  326 0
# HG1/HD1 I26
 334   1.430   1.046 0 U         3.450e+004 0.00e+000 -   0  324  325 0
# HG1/HG2 I26
 335   4.534   4.534 0 U         1.007e+004 0.00e+000 -   0  284  284 0
# HA/HA Q14
 336   4.534   6.823 0 U         4.096e+002 0.00e+000 -   0  284  362 0
# HA/HE22 Q14
 337   4.534   8.644 0 U         4.802e+002 0.00e+000 -   0  284  283 0
# HA/H Q14
 338   4.534   2.146 0 U         7.412e+001 0.00e+000 -   0  284  288 0
# HA/HB2 Q14
 339   4.534   7.489 0 U         8.417e+002 0.00e+000 -   0  284  361 0
# HA/HE21 Q14
 340   4.534   2.286 0 U         3.044e+002 0.00e+000 -   0  284  287 0
# HA/HG3 Q14
 341   4.534   8.787 0 U         -4.062e+002 0.00e+000 -   0  284  176 0
# HA Q14/H C16
 342   4.534   2.862 0 U         4.911e+002 0.00e+000 -   0  284  286 0
# HA/HG2 Q14
 343   4.534   8.047 0 U         -1.017e+003 0.00e+000 -   0  284  180 0
# HA Q14/H C15
 344   4.534   9.629 0 U         2.069e+002 0.00e+000 -   0  284  301 0
# HA Q14/H N13
 345   4.534   1.907 0 U         6.208e+001 0.00e+000 -   0  284  285 0
# HA/HB3 Q14
 346   3.585   3.585 0 U         1.216e+005 0.00e+000 -   0  274  274 0
# HD3/HD3 P24
 347   3.585   3.849 0 U         2.104e+004 0.00e+000 -   0  274  273 0
# HD3/HD2 P24
 348   3.585   2.243 0 U         2.965e+003 0.00e+000 -   0  274  267 0
# HD3 P24/HB3 P23
 349   3.585   1.817 0 U         1.222e+003 0.00e+000 -   0  274  277 0
# HD3/HG P24
 350   3.585   3.976 0 U         4.064e+002 0.00e+000 -   0  274  272 0
# HD3/HA P24
 351   3.585   2.587 0 U         1.665e+003 0.00e+000 -   0  274  266 0
# HD3 P24/HB2 P23
 352   3.585   2.035 0 U         3.964e+003 0.00e+000 -   0  274  276 0
# HD3/HB3 P24
 353   3.585   2.335 0 U         5.421e+002 0.00e+000 -   0  274  275 0
# HD3/HB2 P24
 354   3.585   5.142 0 U         2.829e+003 0.00e+000 -   0  274  263 0
# HD3 P24/HA P23
 355   4.662   4.662 0 U         -2.605e+001 0.00e+000 -   0  233  233 0
# HA/HA I12
 356   4.662   8.123 0 U         1.020e+002 0.00e+000 -   0  233  232 0
# HA/H I12
 357   4.662   1.731 0 U         -3.876e+002 0.00e+000 -   0  233  299 0
# HA/HG1 I12
 358   4.662   0.875 0 U         3.496e+003 0.00e+000 -   0  233  298 0
# HA/HD1 I12
 359   4.662   1.866 0 U         2.864e+002 0.00e+000 -   0  233  297 0
# HA/HB I12
 360   4.662   9.261 0 U         -9.376e+002 0.00e+000 -   0  233  234 0
# HA I12/H I2
 361   4.295   4.295 0 U         9.250e+003 0.00e+000 -   0  218  218 0
# HA2/HA2 G10
 362   4.295   8.376 0 U         -2.557e+002 0.00e+000 -   0  218  188 0
# HA2 G10/H I11
 363   4.295   3.924 0 U         7.498e+002 0.00e+000 -   0  218  219 0
# HA2/HA3 G10
 364   4.295   8.438 0 U         8.746e+002 0.00e+000 -   0  218  109 0
# HA2/H G10
 365   8.376   4.295 0 U         5.662e+002 0.00e+000 -   0  188  218 0
# H I11/HA2 G10
 366   8.376   8.376 0 U         4.731e+004 0.00e+000 -   0  188  188 0
# H/H I11
 367   8.376   4.176 0 U         4.065e+003 0.00e+000 -   0  188  207 0
# H/HA I11
 368   8.376   1.148 0 U         1.376e+003 0.00e+000 -   0  188  205 0
# H/HG2 I11
 369   8.376   1.637 0 U         7.986e+002 0.00e+000 -   0  188  204 0
# H/HG1 I11
 370   8.376   3.924 0 U         1.612e+003 0.00e+000 -   0  188  219 0
# H I11/HA3 G10
 371   8.376   0.911 0 U         1.083e+003 0.00e+000 -   0  188  190 0
# H/HD1 I11
 372   8.376   1.865 0 U         1.308e+003 0.00e+000 -   0  188  203 0
# H/HB I11
 373   2.797   2.797 0 U         8.419e+004 0.00e+000 -   0  347  347 0
# HB/HB D9
 374   2.797   3.941 0 U         -3.145e+001 0.00e+000 -   0  347  346 0
# HB/HA D9
 375   2.797   8.397 0 U         7.677e+002 0.00e+000 -   0  347  345 0
# HB/H D9
 376   5.022   5.022 0 U         3.137e+003 0.00e+000 -   0  340  340 0
# HA/HA D17
 377   5.022   8.434 0 U         1.319e+002 0.00e+000 -   0  340  339 0
# HA/H D17
 378   5.022   3.504 0 U         -1.015e+002 0.00e+000 -   0  340  372 0
# HA D17/HA P18
 379   5.022   2.811 0 U         5.351e+002 0.00e+000 -   0  340  341 0
# HA/HB D17
 380   8.781   8.781 0 U         2.958e+005 0.00e+000 -   0  311  311 0
# H/H W19
 381   8.781   9.725 0 U         -8.183e+001 0.00e+000 -   0  311  352 0
# H/HE1 W19
 382   8.781   2.325 0 U         1.516e+002 0.00e+000 -   0  311  348 0
# H/HB2 W19
 383   8.781   1.875 0 U         2.415e+003 0.00e+000 -   0  311  358 0
# H/HB3 W19
 384   8.781   2.340 0 U         3.659e+002 0.00e+000 -   0  311  374 0
# H W19/HD P18
 385   8.781   4.747 0 U         2.213e+003 0.00e+000 -   0  311  312 0
# H/HA W19
 386   4.982   4.982 0 U         9.572e+002 0.00e+000 -   0  246  246 0
# HA/HA C8
 387   4.982   8.502 0 U         -1.873e+001 0.00e+000 -   0  246  245 0
# HA/H C8
 388   4.982   8.397 0 U         1.506e+003 0.00e+000 -   0  246  345 0
# HA C8/H D9
 389   4.982   2.856 0 U         -4.837e+002 0.00e+000 -   0  246  248 0
# HA/HB3 C8
 390   4.982   3.230 0 U         -5.557e+002 0.00e+000 -   0  246  247 0
# HA/HB2 C8
 391   2.750   2.750 0 U         6.480e+005 0.00e+000 -   0  198  198 0
# HE3/HE3 K7
 392   2.750   1.572 0 U         1.315e+003 0.00e+000 -   0  198  202 0
# HE3/HD K7
 393   2.750   2.948 0 U         1.026e+004 0.00e+000 -   0  198  197 0
# HE3/HE2 K7
 394   2.750   1.725 0 U         -4.140e+001 0.00e+000 -   0  198  201 0
# HE3/HB2 K7
 395   2.750   8.343 0 U         1.395e+002 0.00e+000 -   0  198  191 0
# HE3/H K7
 396   2.750   7.473 0 U         6.367e+001 0.00e+000 -   0  198  212 0
# HE3/HZ K7
 397   2.750   1.250 0 U         1.958e+002 0.00e+000 -   0  198  200 0
# HE3/HG3 K7
 398   2.750   4.259 0 U         1.915e+002 0.00e+000 -   0  198  229 0
# HE3/HA K7
 399   2.750   9.629 0 U         5.320e+002 0.00e+000 -   0  198  301 0
# HE3 K7/H N13
 400   2.750   1.406 0 U         1.836e+002 0.00e+000 -   0  198  199 0
# HE3/HG2 K7
 401   7.373   7.373 0 U         3.512e+005 0.00e+000 -   0  357  357 0
# HZ/HZ F28
 402   7.373   2.604 0 U         1.074e+003 0.00e+000 -   0  357   90 0
# HZ/HB3 F28
 403   7.373   7.304 0 U         5.459e+004 0.00e+000 -   0  357  356 0
# HZ/HD F28
 404   7.373   5.472 0 U         3.360e+002 0.00e+000 -   0  357   79 0
# HZ/HA F28
 405   7.373   8.163 0 U         2.199e+001 0.00e+000 -   0  357   78 0
# HZ/H F28
 406   7.373   2.725 0 U         1.026e+003 0.00e+000 -   0  357   89 0
# HZ/HB2 F28
 407   4.389   1.430 0 U         3.080e+001 0.00e+000 -   0  318  324 0
# HA/HG1 I26
 408   4.389   4.389 0 U         1.433e+004 0.00e+000 -   0  318  318 0
# HA/HA I26
 409   4.389   7.774 0 U         1.127e+002 0.00e+000 -   0  318  317 0
# HA/H I26
 410   4.389   1.882 0 U         6.350e+001 0.00e+000 -   0  318  323 0
# HA/HB I26
 411   4.389   0.855 0 U         1.323e+002 0.00e+000 -   0  318  326 0
# HA/HD1 I26
 412   4.389   7.701 0 U         4.895e+002 0.00e+000 -   0  318  319 0
# HA I26/H G27
 413   4.389   1.046 0 U         -6.519e+001 0.00e+000 -   0  318  325 0
# HA/HG2 I26
 414   6.823   4.534 0 U         -1.870e+000 0.00e+000 -   0  362  284 0
# HE22/HA Q14
 415   6.823   6.823 0 U         3.346e+005 0.00e+000 -   0  362  362 0
# HE22/HE22 Q14
 416   6.823   8.644 0 U         -4.679e+001 0.00e+000 -   0  362  283 0
# HE22/H Q14
 417   6.823   2.146 0 U         2.827e+001 0.00e+000 -   0  362  288 0
# HE22/HB2 Q14
 418   6.823   7.489 0 U         1.772e+004 0.00e+000 -   0  362  361 0
# HE22/HE21 Q14
 419   6.823   2.286 0 U         2.716e+002 0.00e+000 -   0  362  287 0
# HE22/HG3 Q14
 420   6.823   2.862 0 U         -5.084e+001 0.00e+000 -   0  362  286 0
# HE22/HG2 Q14
 421   6.823   1.907 0 U         7.236e+001 0.00e+000 -   0  362  285 0
# HE22/HB3 Q14
 422   1.436   1.436 0 U         -3.292e+006 0.00e+000 -   0  328  328 0
# HG1/HG1 I25
 423   1.436   1.810 0 U         8.613e+002 0.00e+000 -   0  328  327 0
# HG1/HB I25
 424   1.436   5.364 0 U         9.940e+001 0.00e+000 -   0  328  316 0
# HG1/HA I25
 425   1.436   8.009 0 U         6.092e+002 0.00e+000 -   0  328  315 0
# HG1/H I25
 426   1.436   0.867 0 U         3.057e+003 0.00e+000 -   0  328  330 0
# HG1/HD1 I25
 427   1.436   1.055 0 U         -4.543e+004 0.00e+000 -   0  328  329 0
# HG1/HG2 I25
 428   8.644   4.534 0 U         1.152e+003 0.00e+000 -   0  283  284 0
# H/HA Q14
 429   8.644   6.823 0 U         4.431e+001 0.00e+000 -   0  283  362 0
# H/HE22 Q14
 430   8.644   8.644 0 U         8.268e+004 0.00e+000 -   0  283  283 0
# H/H Q14
 431   8.644   2.146 0 U         4.996e+002 0.00e+000 -   0  283  288 0
# H/HB2 Q14
 432   8.644   7.489 0 U         -1.440e+000 0.00e+000 -   0  283  361 0
# H/HE21 Q14
 433   8.644   2.286 0 U         9.822e+002 0.00e+000 -   0  283  287 0
# H/HG3 Q14
 434   8.644   2.862 0 U         3.940e+002 0.00e+000 -   0  283  286 0
# H/HG2 Q14
 435   8.644   9.629 0 U         4.553e+002 0.00e+000 -   0  283  301 0
# H Q14/H N13
 436   8.644   1.907 0 U         1.857e+003 0.00e+000 -   0  283  285 0
# H/HB3 Q14
 437   2.021   2.021 0 U         8.912e+004 0.00e+000 -   0  268  268 0
# HG/HG P23
 438   2.021   2.243 0 U         4.271e+003 0.00e+000 -   0  268  267 0
# HG/HB3 P23
 439   2.021   2.587 0 U         2.281e+003 0.00e+000 -   0  268  266 0
# HG/HB2 P23
 440   2.021   3.662 0 U         3.922e+003 0.00e+000 -   0  268  270 0
# HG/HD3 P23
 441   2.021   5.142 0 U         9.835e+002 0.00e+000 -   0  268  263 0
# HG/HA P23
 442   2.021   3.970 0 U         1.236e+003 0.00e+000 -   0  268  269 0
# HG/HD2 P23
 443   8.123   4.662 0 U         2.315e+001 0.00e+000 -   0  232  233 0
# H/HA I12
 444   8.123   8.123 0 U         2.482e+004 0.00e+000 -   0  232  232 0
# H/H I12
 445   8.123   1.731 0 U         2.999e+002 0.00e+000 -   0  232  299 0
# H/HG1 I12
 446   8.123   0.875 0 U         2.042e+002 0.00e+000 -   0  232  298 0
# H/HD1 I12
 447   8.123   1.866 0 U         8.674e+002 0.00e+000 -   0  232  297 0
# H/HB I12
 448   2.707   2.707 0 U         5.410e+004 0.00e+000 -   0  179  179 0
# HB3/HB3 C16
 449   2.707   4.877 0 U         4.815e+002 0.00e+000 -   0  179  278 0
# HB3/HA C16
 450   2.707   2.837 0 U         1.612e+004 0.00e+000 -   0  179  178 0
# HB3/HB2 C16
 451   2.707   8.787 0 U         1.145e+003 0.00e+000 -   0  179  176 0
# HB3/H C16
 452   2.707   7.826 0 U         9.511e+002 0.00e+000 -   0  179  366 0
# HB3 C16/HE1 Y5
 453   8.434   3.488 0 U         6.642e+002 0.00e+000 -   0  339  333 0
# H D17/HB2 Y5
 454   8.434   5.022 0 U         4.342e+003 0.00e+000 -   0  339  340 0
# H/HA D17
 455   8.434   8.434 0 U         -1.826e+004 0.00e+000 -   0  339  339 0
# H/H D17
 456   8.434   4.877 0 U         1.276e+003 0.00e+000 -   0  339  278 0
# H D17/HA C16
 457   8.434   2.811 0 U         -2.952e+003 0.00e+000 -   0  339  341 0
# H/HB D17
 458   1.731   4.662 0 U         -8.228e+001 0.00e+000 -   0  299  233 0
# HG1/HA I12
 459   1.731   8.123 0 U         1.143e+002 0.00e+000 -   0  299  232 0
# HG1/H I12
 460   1.731   1.731 0 U         5.052e+005 0.00e+000 -   0  299  299 0
# HG1/HG1 I12
 461   1.731   0.875 0 U         -9.588e+002 0.00e+000 -   0  299  298 0
# HG1/HD1 I12
 462   1.731   1.866 0 U         6.749e+003 0.00e+000 -   0  299  297 0
# HG1/HB I12
 463   2.146   4.534 0 U         6.808e+002 0.00e+000 -   0  288  284 0
# HB2/HA Q14
 464   2.146   6.823 0 U         -7.063e+001 0.00e+000 -   0  288  362 0
# HB2/HE22 Q14
 465   2.146   8.644 0 U         2.913e+002 0.00e+000 -   0  288  283 0
# HB2/H Q14
 466   2.146   2.146 0 U         4.035e+004 0.00e+000 -   0  288  288 0
# HB2/HB2 Q14
 467   2.146   7.489 0 U         6.147e+001 0.00e+000 -   0  288  361 0
# HB2/HE21 Q14
 468   2.146   2.286 0 U         6.478e+003 0.00e+000 -   0  288  287 0
# HB2/HG3 Q14
 469   2.146   2.862 0 U         7.478e+002 0.00e+000 -   0  288  286 0
# HB2/HG2 Q14
 470   2.146   1.907 0 U         3.882e+003 0.00e+000 -   0  288  285 0
# HB2/HB3 Q14
 471   4.877   2.707 0 U         1.074e+003 0.00e+000 -   0  278  179 0
# HA/HB3 C16
 472   4.877   8.434 0 U         9.707e+002 0.00e+000 -   0  278  339 0
# HA C16/H D17
 473   4.877   4.877 0 U         -3.000e+004 0.00e+000 -   0  278  278 0
# HA/HA C16
 474   4.877   2.837 0 U         -6.634e+002 0.00e+000 -   0  278  178 0
# HA/HB2 C16
 475   4.877   8.787 0 U         8.351e+002 0.00e+000 -   0  278  176 0
# HA/H C16
 476   8.502   4.982 0 U         3.995e+003 0.00e+000 -   0  245  246 0
# H/HA C8
 477   8.502   8.502 0 U         1.338e+005 0.00e+000 -   0  245  245 0
# H/H C8
 478   8.502   5.472 0 U         1.420e+003 0.00e+000 -   0  245   79 0
# H C8/HA F28
 479   8.502   2.856 0 U         2.169e+003 0.00e+000 -   0  245  248 0
# H/HB3 C8
 480   8.502   4.259 0 U         7.875e+003 0.00e+000 -   0  245  229 0
# H C8/HA K7
 481   8.502   7.701 0 U         6.625e+002 0.00e+000 -   0  245  319 0
# H C8/H G27
 482   8.502   3.230 0 U         1.825e+003 0.00e+000 -   0  245  247 0
# H/HB2 C8
 483   4.557   4.557 0 U         5.140e+003 0.00e+000 -   0  241  241 0
# HA/HA L30
 484   4.557   8.713 0 U         2.407e+002 0.00e+000 -   0  241  240 0
# HA/H L30
 485   4.557   1.030 0 U         7.263e+002 0.00e+000 -   0  241  244 0
# HA/HD L30
 486   4.557   1.626 0 U         4.516e+002 0.00e+000 -   0  241  243 0
# HA/HG L30
 487   4.557   1.824 0 U         2.703e+002 0.00e+000 -   0  241  242 0
# HA/HB L30
 488   2.556   2.556 0 U         4.049e+005 0.00e+000 -   0  223  223 0
# HB3/HB3 C21
 489   2.556   2.746 0 U         2.272e+003 0.00e+000 -   0  223  222 0
# HB3/HB2 C21
 490   2.556   8.676 0 U         5.869e+003 0.00e+000 -   0  223  220 0
# HB3/H C21
 491   2.556   5.534 0 U         5.693e+001 0.00e+000 -   0  223  338 0
# HB3/HA C21
 492   9.725   8.781 0 U         -1.200e+002 0.00e+000 -   0  352  311 0
# HE1/H W19
 493   9.725   9.725 0 U         4.591e+004 0.00e+000 -   0  352  352 0
# HE1/HE1 W19
 494   9.725   2.325 0 U         2.991e+002 0.00e+000 -   0  352  348 0
# HE1/HB2 W19
 495   9.725   1.875 0 U         -4.586e+001 0.00e+000 -   0  352  358 0
# HE1/HB3 W19
 496   9.725   4.747 0 U         -3.472e+001 0.00e+000 -   0  352  312 0
# HE1/HA W19
 497   7.774   1.430 0 U         2.113e+002 0.00e+000 -   0  317  324 0
# H/HG1 I26
 498   7.774   4.389 0 U         9.499e+002 0.00e+000 -   0  317  318 0
# H/HA I26
 499   7.774   7.774 0 U         3.023e+004 0.00e+000 -   0  317  317 0
# H/H I26
 500   7.774   1.882 0 U         5.930e+002 0.00e+000 -   0  317  323 0
# H/HB I26
 501   7.774   0.855 0 U         7.679e+002 0.00e+000 -   0  317  326 0
# H/HD1 I26
 502   7.774   1.046 0 U         5.072e+002 0.00e+000 -   0  317  325 0
# H/HG2 I26
 503   7.774   2.335 0 U         1.704e+003 0.00e+000 -   0  317  275 0
# H I26/HB2 P24
 504   0.917   0.917 0 U         7.233e+006 0.00e+000 -   0  250  250 0
# HD1/HD1 I2
 505   0.917   1.900 0 U         -3.780e+002 0.00e+000 -   0  250  249 0
# HD1/HB I2
 506   0.917   4.065 0 U         1.973e+003 0.00e+000 -   0  250  235 0
# HD1/HA I2
 507   0.917   1.276 0 U         -6.650e+003 0.00e+000 -   0  250  253 0
# HD1/HG13 I2
 508   0.917   9.261 0 U         7.521e+002 0.00e+000 -   0  250  234 0
# HD1/H I2
 509   0.917   1.368 0 U         -6.644e+003 0.00e+000 -   0  250  252 0
# HD1/HG12 I2
 510   0.917   1.106 0 U         -8.578e+003 0.00e+000 -   0  250  251 0
# HD1/HG2 I2
 511   1.572   2.750 0 U         1.496e+003 0.00e+000 -   0  202  198 0
# HD/HE3 K7
 512   1.572   1.572 0 U         -1.004e+005 0.00e+000 -   0  202  202 0
# HD/HD K7
 513   1.572   2.948 0 U         3.593e+002 0.00e+000 -   0  202  197 0
# HD/HE2 K7
 514   1.572   1.725 0 U         1.746e+002 0.00e+000 -   0  202  201 0
# HD/HB2 K7
 515   1.572   8.343 0 U         3.311e+002 0.00e+000 -   0  202  191 0
# HD/H K7
 516   1.572   7.473 0 U         5.474e+000 0.00e+000 -   0  202  212 0
# HD/HZ K7
 517   1.572   1.250 0 U         5.260e+003 0.00e+000 -   0  202  200 0
# HD/HG3 K7
 518   1.572   4.259 0 U         8.818e+002 0.00e+000 -   0  202  229 0
# HD/HA K7
 519   1.572   1.406 0 U         1.036e+004 0.00e+000 -   0  202  199 0
# HD/HG2 K7
 520   4.434   4.305 0 U         5.470e+002 0.00e+000 -   0  172  173 0
# HA/HB T22
 521   4.434   4.434 0 U         1.364e+004 0.00e+000 -   0  172  172 0
# HA/HA T22
 522   4.434   8.713 0 U         9.626e+001 0.00e+000 -   0  172  240 0
# HA T22/H L30
 523   4.434   9.384 0 U         4.958e+002 0.00e+000 -   0  172  171 0
# HA/H T22
 524   4.434   1.258 0 U         3.866e+001 0.00e+000 -   0  172  174 0
# HA/HG1 T22
 525   4.434   5.142 0 U         1.964e+002 0.00e+000 -   0  172  263 0
# HA T22/HA P23
 526   0.887   0.887 0 U         1.329e+008 0.00e+000 -   0  105  105 0
# HD1/HD1 L20
 527   0.887   4.695 0 U         -3.253e+002 0.00e+000 -   0  105   51 0
# HD1/HA L20
 528   0.887   9.429 0 U         -8.252e+001 0.00e+000 -   0  105    9 0
# HD1/H L20
 529   0.887   1.576 0 U         -4.893e+002 0.00e+000 -   0  105  103 0
# HD1/HB L20
 530   0.887   1.453 0 U         4.756e+003 0.00e+000 -   0  105  261 0
# HD1/HG L20
 531   0.886   0.886 0 U         -1.441e+008 0.00e+000 -   0  377  377 0
# HG3/HG3 P18
 532   0.886   3.504 0 U         1.832e+003 0.00e+000 -   0  377  372 0
# HG3/HA P18
 533   0.886   1.062 0 U         -1.384e+004 0.00e+000 -   0  377  376 0
# HG3/HG2 P18
 534   0.886   1.443 0 U         -1.517e+003 0.00e+000 -   0  377  375 0
# HG3/HB P18
 535   0.886   2.340 0 U         1.784e+003 0.00e+000 -   0  377  374 0
# HG3/HD P18
 536   4.819   3.488 0 U         1.554e+003 0.00e+000 -   0  332  333 0
# HA/HB2 Y5
 537   4.819   4.819 0 U         -2.229e+005 0.00e+000 -   0  332  332 0
# HA/HA Y5
 538   4.819   7.011 0 U         -7.815e+003 0.00e+000 -   0  332  367 0
# HA/HE2 Y5
 539   4.819   8.010 0 U         2.680e+003 0.00e+000 -   0  332  331 0
# HA/H Y5
 540   4.819   7.826 0 U         2.829e+003 0.00e+000 -   0  332  366 0
# HA/HE1 Y5
 541   4.819   2.345 0 U         -4.850e+004 0.00e+000 -   0  332  334 0
# HA/HB3 Y5
 542   4.819   8.838 0 U         -1.657e+004 0.00e+000 -   0  332  279 0
# HA Y5/H G6
 543   1.882   1.430 0 U         2.802e+003 0.00e+000 -   0  323  324 0
# HB/HG1 I26
 544   1.882   4.389 0 U         1.422e+003 0.00e+000 -   0  323  318 0
# HB/HA I26
 545   1.882   7.774 0 U         3.939e+002 0.00e+000 -   0  323  317 0
# HB/H I26
 546   1.882   1.882 0 U         1.620e+006 0.00e+000 -   0  323  323 0
# HB/HB I26
 547   1.882   0.855 0 U         9.974e+003 0.00e+000 -   0  323  326 0
# HB/HD1 I26
 548   1.882   1.046 0 U         7.708e+003 0.00e+000 -   0  323  325 0
# HB/HG2 I26
 549   3.849   3.585 0 U         1.602e+004 0.00e+000 -   0  273  274 0
# HD2/HD3 P24
 550   3.849   3.849 0 U         7.358e+004 0.00e+000 -   0  273  273 0
# HD2/HD2 P24
 551   3.849   2.243 0 U         8.395e+002 0.00e+000 -   0  273  267 0
# HD2 P24/HB3 P23
 552   3.849   1.817 0 U         4.386e+002 0.00e+000 -   0  273  277 0
# HD2/HG P24
 553   3.849   3.976 0 U         1.886e+003 0.00e+000 -   0  273  272 0
# HD2/HA P24
 554   3.849   2.587 0 U         7.353e+002 0.00e+000 -   0  273  266 0
# HD2 P24/HB2 P23
 555   3.849   2.035 0 U         3.733e+003 0.00e+000 -   0  273  276 0
# HD2/HB3 P24
 556   3.849   2.335 0 U         5.349e+002 0.00e+000 -   0  273  275 0
# HD2/HB2 P24
 557   3.849   5.142 0 U         5.288e+003 0.00e+000 -   0  273  263 0
# HD2 P24/HA P23
 558   8.713   4.557 0 U         1.621e+003 0.00e+000 -   0  240  241 0
# H/HA L30
 559   8.713   4.434 0 U         4.870e+002 0.00e+000 -   0  240  172 0
# H L30/HA T22
 560   8.713   8.713 0 U         4.257e+004 0.00e+000 -   0  240  240 0
# H/H L30
 561   8.713   9.384 0 U         7.858e+002 0.00e+000 -   0  240  171 0
# H L30/H T22
 562   8.713   1.030 0 U         3.204e+002 0.00e+000 -   0  240  244 0
# H/HD L30
 563   8.713   4.664 0 U         3.247e+003 0.00e+000 -   0  240  290 0
# H L30/HA H4
 564   8.713   1.626 0 U         6.089e+002 0.00e+000 -   0  240  243 0
# H/HG L30
 565   8.713   4.803 0 U         -2.237e+002 0.00e+000 -   0  240  185 0
# H L30/HA C29
 566   8.713   1.824 0 U         9.234e+002 0.00e+000 -   0  240  242 0
# H/HB L30
 567   2.984   2.984 0 U         8.148e+004 0.00e+000 -   0  183  183 0
# HB3/HB3 C15
 568   2.984   3.203 0 U         1.370e+004 0.00e+000 -   0  183  182 0
# HB3/HB2 C15
 569   2.984   4.111 0 U         -8.105e+001 0.00e+000 -   0  183  181 0
# HB3/HA C15
 570   2.984   9.429 0 U         6.098e+002 0.00e+000 -   0  183    9 0
# HB3 C15/H L20
 571   2.984   8.047 0 U         4.597e+002 0.00e+000 -   0  183  180 0
# HB3/H C15
 572   3.941   2.797 0 U         1.676e+002 0.00e+000 -   0  346  347 0
# HA/HB D9
 573   3.941   3.941 0 U         5.266e+004 0.00e+000 -   0  346  346 0
# HA/HA D9
 574   3.941   8.010 0 U         7.383e+001 0.00e+000 -   0  346  331 0
# HA D9/H Y5
 575   3.941   8.397 0 U         1.448e+003 0.00e+000 -   0  346  345 0
# HA/H D9
 576   3.048   3.048 0 U         1.035e+005 0.00e+000 -   0  304  304 0
# HB3/HB3 N13
 577   3.048   3.293 0 U         2.396e+004 0.00e+000 -   0  304  303 0
# HB3/HB2 N13
 578   3.048   6.260 0 U         4.077e+002 0.00e+000 -   0  304  310 0
# HB3/HD22 N13
 579   3.048   3.725 0 U         3.675e+003 0.00e+000 -   0  304  302 0
# HB3/HA N13
 580   3.048   9.629 0 U         1.345e+003 0.00e+000 -   0  304  301 0
# HB3/H N13
 581   3.048   6.624 0 U         2.506e+003 0.00e+000 -   0  304  307 0
# HB3/HD21 N13
 582   2.614   2.614 0 U         1.299e+005 0.00e+000 -   0  292  292 0
# HB3/HB3 H4
 583   2.614   3.434 0 U         7.223e+003 0.00e+000 -   0  292  291 0
# HB3/HB2 H4
 584   2.614   4.664 0 U         2.694e+002 0.00e+000 -   0  292  290 0
# HB3/HA H4
 585   2.614  10.038 0 U         1.044e+003 0.00e+000 -   0  292  289 0
# HB3/H H4
 586   2.948   2.750 0 U         5.435e+003 0.00e+000 -   0  197  198 0
# HE2/HE3 K7
 587   2.948   1.572 0 U         4.081e+003 0.00e+000 -   0  197  202 0
# HE2/HD K7
 588   2.948   2.948 0 U         2.147e+005 0.00e+000 -   0  197  197 0
# HE2/HE2 K7
 589   2.948   1.725 0 U         -2.628e+001 0.00e+000 -   0  197  201 0
# HE2/HB2 K7
 590   2.948   8.343 0 U         -8.720e+000 0.00e+000 -   0  197  191 0
# HE2/H K7
 591   2.948   7.473 0 U         1.788e+002 0.00e+000 -   0  197  212 0
# HE2/HZ K7
 592   2.948   1.250 0 U         6.422e+002 0.00e+000 -   0  197  200 0
# HE2/HG3 K7
 593   2.948   4.259 0 U         -6.476e+001 0.00e+000 -   0  197  229 0
# HE2/HA K7
 594   2.948   9.629 0 U         3.183e+002 0.00e+000 -   0  197  301 0
# HE2 K7/H N13
 595   2.948  10.038 0 U         1.398e+002 0.00e+000 -   0  197  289 0
# HE2 K7/H H4
 596   2.948   1.406 0 U         3.338e+002 0.00e+000 -   0  197  199 0
# HE2/HG2 K7
 597   2.604   7.373 0 U         2.007e+002 0.00e+000 -   0   90  357 0
# HB3/HZ F28
 598   2.604   2.604 0 U         -4.228e+004 0.00e+000 -   0   90   90 0
# HB3/HB3 F28
 599   2.604   7.304 0 U         3.116e+003 0.00e+000 -   0   90  356 0
# HB3/HD F28
 600   2.604   5.472 0 U         9.931e+002 0.00e+000 -   0   90   79 0
# HB3/HA F28
 601   2.604   8.163 0 U         8.903e+002 0.00e+000 -   0   90   78 0
# HB3/H F28
 602   2.604   2.725 0 U         2.411e+004 0.00e+000 -   0   90   89 0
# HB3/HB2 F28
 603   2.604   8.950 0 U         1.833e+002 0.00e+000 -   0   90  184 0
# HB3 F28/H C29
 604   7.304   7.373 0 U         2.600e+004 0.00e+000 -   0  356  357 0
# HD/HZ F28
 605   7.304   2.604 0 U         7.751e+003 0.00e+000 -   0  356   90 0
# HD/HB3 F28
 606   7.304   7.304 0 U         4.712e+005 0.00e+000 -   0  356  356 0
# HD/HD F28
 607   7.304   5.472 0 U         2.381e+003 0.00e+000 -   0  356   79 0
# HD/HA F28
 608   7.304   8.343 0 U         1.163e+003 0.00e+000 -   0  356  191 0
# HD F28/H K7
 609   7.304   8.163 0 U         1.053e+003 0.00e+000 -   0  356   78 0
# HD/H F28
 610   7.304   2.725 0 U         8.093e+003 0.00e+000 -   0  356   89 0
# HD/HB2 F28
 611   4.176   8.376 0 U         7.181e+002 0.00e+000 -   0  207  188 0
# HA/H I11
 612   4.176   4.176 0 U         3.780e+004 0.00e+000 -   0  207  207 0
# HA/HA I11
 613   4.176   1.148 0 U         8.073e+001 0.00e+000 -   0  207  205 0
# HA/HG2 I11
 614   4.176   1.637 0 U         1.738e+001 0.00e+000 -   0  207  204 0
# HA/HG1 I11
 615   4.176   0.911 0 U         4.404e+002 0.00e+000 -   0  207  190 0
# HA/HD1 I11
 616   4.176   1.865 0 U         5.414e+002 0.00e+000 -   0  207  203 0
# HA/HB I11
 617   9.384   4.305 0 U         4.639e+003 0.00e+000 -   0  171  173 0
# H/HB T22
 618   9.384   4.434 0 U         9.464e+003 0.00e+000 -   0  171  172 0
# H/HA T22
 619   9.384   8.713 0 U         8.119e+002 0.00e+000 -   0  171  240 0
# H T22/H L30
 620   9.384   9.384 0 U         5.948e+004 0.00e+000 -   0  171  171 0
# H/H T22
 621   9.384   1.030 0 U         5.302e+002 0.00e+000 -   0  171  244 0
# H T22/HD L30
 622   9.384   8.163 0 U         2.405e+003 0.00e+000 -   0  171   78 0
# H T22/H F28
 623   9.384   1.258 0 U         1.039e+003 0.00e+000 -   0  171  174 0
# H/HG1 T22
 624   7.011   3.488 0 U         -6.243e+000 0.00e+000 -   0  367  333 0
# HE2/HB2 Y5
 625   7.011   4.819 0 U         4.747e+002 0.00e+000 -   0  367  332 0
# HE2/HA Y5
 626   7.011   7.011 0 U         4.519e+004 0.00e+000 -   0  367  367 0
# HE2/HE2 Y5
 627   7.011   8.010 0 U         1.383e+001 0.00e+000 -   0  367  331 0
# HE2/H Y5
 628   7.011   7.826 0 U         4.423e+003 0.00e+000 -   0  367  366 0
# HE2/HE1 Y5
 629   7.011   2.345 0 U         1.108e+001 0.00e+000 -   0  367  334 0
# HE2/HB3 Y5
 630   7.489   4.534 0 U         4.470e+001 0.00e+000 -   0  361  284 0
# HE21/HA Q14
 631   7.489   6.823 0 U         4.762e+004 0.00e+000 -   0  361  362 0
# HE21/HE22 Q14
 632   7.489   8.644 0 U         4.427e+001 0.00e+000 -   0  361  283 0
# HE21/H Q14
 633   7.489   2.146 0 U         2.145e+002 0.00e+000 -   0  361  288 0
# HE21/HB2 Q14
 634   7.489   7.489 0 U         1.372e+005 0.00e+000 -   0  361  361 0
# HE21/HE21 Q14
 635   7.489   2.286 0 U         1.742e+003 0.00e+000 -   0  361  287 0
# HE21/HG3 Q14
 636   7.489   2.862 0 U         -5.907e+001 0.00e+000 -   0  361  286 0
# HE21/HG2 Q14
 637   7.489   1.907 0 U         2.739e+002 0.00e+000 -   0  361  285 0
# HE21/HB3 Q14
 638   8.010   3.488 0 U         5.301e+003 0.00e+000 -   0  331  333 0
# H/HB2 Y5
 639   8.010   4.819 0 U         -7.620e+001 0.00e+000 -   0  331  332 0
# H/HA Y5
 640   8.010   3.941 0 U         -1.681e+003 0.00e+000 -   0  331  346 0
# H Y5/HA D9
 641   8.010   7.011 0 U         2.831e+002 0.00e+000 -   0  331  367 0
# H/HE2 Y5
 642   8.010   8.010 0 U         2.104e+004 0.00e+000 -   0  331  331 0
# H/H Y5
 643   8.010   7.826 0 U         9.461e+002 0.00e+000 -   0  331  366 0
# H/HE1 Y5
 644   8.010   2.345 0 U         6.988e+002 0.00e+000 -   0  331  334 0
# H/HB3 Y5
 645   1.810   1.436 0 U         9.601e+001 0.00e+000 -   0  327  328 0
# HB/HG1 I25
 646   1.810   1.810 0 U         1.861e+005 0.00e+000 -   0  327  327 0
# HB/HB I25
 647   1.810   5.364 0 U         -3.615e+001 0.00e+000 -   0  327  316 0
# HB/HA I25
 648   1.810   8.009 0 U         4.568e+002 0.00e+000 -   0  327  315 0
# HB/H I25
 649   1.810   0.867 0 U         -1.110e+002 0.00e+000 -   0  327  330 0
# HB/HD1 I25
 650   1.810   1.055 0 U         2.713e+003 0.00e+000 -   0  327  329 0
# HB/HG2 I25
 651   2.243   3.585 0 U         3.157e+003 0.00e+000 -   0  267  274 0
# HB3 P23/HD3 P24
 652   2.243   2.021 0 U         3.934e+003 0.00e+000 -   0  267  268 0
# HB3/HG P23
 653   2.243   3.849 0 U         1.173e+003 0.00e+000 -   0  267  273 0
# HB3 P23/HD2 P24
 654   2.243   2.243 0 U         1.121e+005 0.00e+000 -   0  267  267 0
# HB3/HB3 P23
 655   2.243   2.587 0 U         1.535e+004 0.00e+000 -   0  267  266 0
# HB3/HB2 P23
 656   2.243   3.662 0 U         3.365e+002 0.00e+000 -   0  267  270 0
# HB3/HD3 P23
 657   2.243   5.142 0 U         2.023e+003 0.00e+000 -   0  267  263 0
# HB3/HA P23
 658   2.243   3.970 0 U         5.894e+002 0.00e+000 -   0  267  269 0
# HB3/HD2 P23
 659   2.837   2.707 0 U         1.196e+004 0.00e+000 -   0  178  179 0
# HB2/HB3 C16
 660   2.837   4.877 0 U         6.922e+002 0.00e+000 -   0  178  278 0
# HB2/HA C16
 661   2.837   2.837 0 U         1.040e+005 0.00e+000 -   0  178  178 0
# HB2/HB2 C16
 662   2.837   8.787 0 U         1.341e+003 0.00e+000 -   0  178  176 0
# HB2/H C16
 663   2.837   7.826 0 U         7.571e+002 0.00e+000 -   0  178  366 0
# HB2 C16/HE1 Y5
 664   5.472   7.373 0 U         -5.393e-002 0.00e+000 -   0   79  357 0
# HA/HZ F28
 665   5.472   8.502 0 U         2.459e+002 0.00e+000 -   0   79  245 0
# HA F28/H C8
 666   5.472   2.604 0 U         4.419e+002 0.00e+000 -   0   79   90 0
# HA/HB3 F28
 667   5.472   7.304 0 U         3.937e+002 0.00e+000 -   0   79  356 0
# HA/HD F28
 668   5.472   5.472 0 U         1.380e+004 0.00e+000 -   0   79   79 0
# HA/HA F28
 669   5.472   4.259 0 U         1.020e+003 0.00e+000 -   0   79  229 0
# HA F28/HA K7
 670   5.472   8.163 0 U         1.934e+001 0.00e+000 -   0   79   78 0
# HA/H F28
 671   5.472   2.725 0 U         8.435e+002 0.00e+000 -   0   79   89 0
# HA/HB2 F28
 672   5.472   8.950 0 U         6.455e+002 0.00e+000 -   0   79  184 0
# HA F28/H C29
 673   3.504   5.022 0 U         5.860e+002 0.00e+000 -   0  372  340 0
# HA P18/HA D17
 674   3.504   0.886 0 U         4.385e+003 0.00e+000 -   0  372  377 0
# HA/HG3 P18
 675   3.504   3.504 0 U         3.559e+004 0.00e+000 -   0  372  372 0
# HA/HA P18
 676   3.504   1.062 0 U         1.866e+003 0.00e+000 -   0  372  376 0
# HA/HG2 P18
 677   3.504   1.443 0 U         1.115e+003 0.00e+000 -   0  372  375 0
# HA/HB P18
 678   3.504   2.811 0 U         4.035e+002 0.00e+000 -   0  372  341 0
# HA P18/HB D17
 679   3.504   2.340 0 U         3.506e+003 0.00e+000 -   0  372  374 0
# HA/HD P18
 680   8.397   3.488 0 U         6.821e+002 0.00e+000 -   0  345  333 0
# H D9/HB2 Y5
 681   8.397   2.797 0 U         7.128e+002 0.00e+000 -   0  345  347 0
# H/HB D9
 682   8.397   4.982 0 U         2.410e+003 0.00e+000 -   0  345  246 0
# H D9/HA C8
 683   8.397   3.941 0 U         3.550e+003 0.00e+000 -   0  345  346 0
# H/HA D9
 684   8.397   8.397 0 U         9.739e+004 0.00e+000 -   0  345  345 0
# H/H D9
 685   0.875   4.662 0 U         3.430e+003 0.00e+000 -   0  298  233 0
# HD1/HA I12
 686   0.875   8.123 0 U         -1.292e+002 0.00e+000 -   0  298  232 0
# HD1/H I12
 687   0.875   1.731 0 U         -6.225e+003 0.00e+000 -   0  298  299 0
# HD1/HG1 I12
 688   0.875   0.875 0 U         2.508e+007 0.00e+000 -   0  298  298 0
# HD1/HD1 I12
 689   0.875   1.866 0 U         5.685e+003 0.00e+000 -   0  298  297 0
# HD1/HB I12
 690   2.286   4.534 0 U         1.756e+003 0.00e+000 -   0  287  284 0
# HG3/HA Q14
 691   2.286   6.823 0 U         4.607e+002 0.00e+000 -   0  287  362 0
# HG3/HE22 Q14
 692   2.286   8.644 0 U         4.944e+002 0.00e+000 -   0  287  283 0
# HG3/H Q14
 693   2.286   2.146 0 U         4.649e+003 0.00e+000 -   0  287  288 0
# HG3/HB2 Q14
 694   2.286   7.489 0 U         8.158e+002 0.00e+000 -   0  287  361 0
# HG3/HE21 Q14
 695   2.286   2.286 0 U         1.141e+005 0.00e+000 -   0  287  287 0
# HG3/HG3 Q14
 696   2.286   2.862 0 U         5.277e+002 0.00e+000 -   0  287  286 0
# HG3/HG2 Q14
 697   2.286   1.907 0 U         3.006e+003 0.00e+000 -   0  287  285 0
# HG3/HB3 Q14
 698   1.817   3.585 0 U         1.305e+003 0.00e+000 -   0  277  274 0
# HG/HD3 P24
 699   1.817   3.849 0 U         6.985e+002 0.00e+000 -   0  277  273 0
# HG/HD2 P24
 700   1.817   1.817 0 U         -2.284e+005 0.00e+000 -   0  277  277 0
# HG/HG P24
 701   1.817   3.976 0 U         1.416e+003 0.00e+000 -   0  277  272 0
# HG/HA P24
 702   1.817   2.035 0 U         1.053e+004 0.00e+000 -   0  277  276 0
# HG/HB3 P24
 703   1.817   2.335 0 U         1.432e+004 0.00e+000 -   0  277  275 0
# HG/HB2 P24
 704   2.746   2.556 0 U         7.895e+003 0.00e+000 -   0  222  223 0
# HB2/HB3 C21
 705   2.746   2.746 0 U         -8.044e+005 0.00e+000 -   0  222  222 0
# HB2/HB2 C21
 706   2.746   8.676 0 U         5.673e+002 0.00e+000 -   0  222  220 0
# HB2/H C21
 707   2.746   5.534 0 U         -2.829e+002 0.00e+000 -   0  222  338 0
# HB2/HA C21
 708   2.739   2.739 0 U         3.858e+005 0.00e+000 -   0  187  187 0
# HB3/HB3 C29
 709   2.739   3.044 0 U         5.254e+003 0.00e+000 -   0  187  186 0
# HB3/HB2 C29
 710   2.739   8.838 0 U         1.212e+003 0.00e+000 -   0  187  279 0
# HB3 C29/H G6
 711   2.739   4.803 0 U         4.766e+002 0.00e+000 -   0  187  185 0
# HB3/HA C29
 712   2.739   8.950 0 U         9.668e+002 0.00e+000 -   0  187  184 0
# HB3/H C29
 713   1.900   0.917 0 U         5.083e+003 0.00e+000 -   0  249  250 0
# HB/HD1 I2
 714   1.900   1.900 0 U         -5.434e+005 0.00e+000 -   0  249  249 0
# HB/HB I2
 715   1.900   4.065 0 U         1.251e+003 0.00e+000 -   0  249  235 0
# HB/HA I2
 716   1.900   1.276 0 U         8.209e+002 0.00e+000 -   0  249  253 0
# HB/HG13 I2
 717   1.900   9.261 0 U         1.549e+003 0.00e+000 -   0  249  234 0
# HB/H I2
 718   1.900  10.038 0 U         8.443e+002 0.00e+000 -   0  249  289 0
# HB I2/H H4
 719   1.900   1.368 0 U         1.426e+003 0.00e+000 -   0  249  252 0
# HB/HG12 I2
 720   1.900   1.106 0 U         2.653e+003 0.00e+000 -   0  249  251 0
# HB/HG2 I2
 721   1.725   2.750 0 U         3.321e+001 0.00e+000 -   0  201  198 0
# HB2/HE3 K7
 722   1.725   1.572 0 U         -1.442e+003 0.00e+000 -   0  201  202 0
# HB2/HD K7
 723   1.725   2.948 0 U         8.546e+001 0.00e+000 -   0  201  197 0
# HB2/HE2 K7
 724   1.725   1.725 0 U         -3.489e+005 0.00e+000 -   0  201  201 0
# HB2/HB2 K7
 725   1.725   8.343 0 U         1.748e+003 0.00e+000 -   0  201  191 0
# HB2/H K7
 726   1.725   7.473 0 U         -3.552e+001 0.00e+000 -   0  201  212 0
# HB2/HZ K7
 727   1.725   1.250 0 U         -1.797e+002 0.00e+000 -   0  201  200 0
# HB2/HG3 K7
 728   1.725   4.259 0 U         1.222e+003 0.00e+000 -   0  201  229 0
# HB2/HA K7
 729   1.725   1.406 0 U         -1.373e+003 0.00e+000 -   0  201  199 0
# HB2/HG2 K7
 730   8.787   4.534 0 U         5.302e+002 0.00e+000 -   0  176  284 0
# H C16/HA Q14
 731   8.787   2.707 0 U         1.933e+003 0.00e+000 -   0  176  179 0
# H/HB3 C16
 732   8.787   4.877 0 U         1.124e+002 0.00e+000 -   0  176  278 0
# H/HA C16
 733   8.787   2.837 0 U         2.839e+003 0.00e+000 -   0  176  178 0
# H/HB2 C16
 734   8.787   8.787 0 U         -1.446e+005 0.00e+000 -   0  176  176 0
# H/H C16
 735   8.787   4.111 0 U         3.627e+003 0.00e+000 -   0  176  181 0
# H C16/HA C15
 736   1.452   0.887 0 U         -3.688e+004 0.00e+000 -   0  104  105 0
# HG1/HD1 L20
 737   1.452   4.695 0 U         1.516e+003 0.00e+000 -   0  104   51 0
# HG1/HA L20
 738   1.452   9.429 0 U         2.920e+002 0.00e+000 -   0  104    9 0
# HG1/H L20
 739   1.452   1.576 0 U         2.434e+004 0.00e+000 -   0  104  103 0
# HG1/HB L20
 740   1.452   1.453 0 U         -1.330e+007 0.00e+000 -   0  104  261 0
# HG1/HG L20
 741   1.062   0.886 0 U         -1.655e+004 0.00e+000 -   0  376  377 0
# HG2/HG3 P18
 742   1.062   3.504 0 U         1.048e+003 0.00e+000 -   0  376  372 0
# HG2/HA P18
 743   1.062   1.062 0 U         9.549e+005 0.00e+000 -   0  376  376 0
# HG2/HG2 P18
 744   1.062   1.443 0 U         2.691e+004 0.00e+000 -   0  376  375 0
# HG2/HB P18
 745   1.062   2.340 0 U         9.197e+002 0.00e+000 -   0  376  374 0
# HG2/HD P18
 746   1.362   8.773 0 U         1.038e+001 0.00e+000 -   0  337  368 0
# HB/H A3
 747   4.199   4.199 0 U         2.839e+004 0.00e+000 -   0  282  282 0
# HA2/HA2 G6
 748   4.199   8.343 0 U         2.289e+003 0.00e+000 -   0  282  191 0
# HA2 G6/H K7
 749   4.199   3.571 0 U         6.022e+003 0.00e+000 -   0  282  281 0
# HA2/HA3 G6
 750   4.199   8.838 0 U         1.161e+002 0.00e+000 -   0  282  279 0
# HA2/H G6
 751   3.976   3.585 0 U         1.149e+002 0.00e+000 -   0  272  274 0
# HA/HD3 P24
 752   3.976   3.849 0 U         2.619e+003 0.00e+000 -   0  272  273 0
# HA/HD2 P24
 753   3.976   1.817 0 U         1.562e+003 0.00e+000 -   0  272  277 0
# HA/HG P24
 754   3.976   3.976 0 U         9.313e+004 0.00e+000 -   0  272  272 0
# HA/HA P24
 755   3.976   2.035 0 U         1.712e+003 0.00e+000 -   0  272  276 0
# HA/HB3 P24
 756   3.976   2.335 0 U         2.903e+003 0.00e+000 -   0  272  275 0
# HA/HB2 P24
 757   8.676   2.556 0 U         3.563e+003 0.00e+000 -   0  220  223 0
# H/HB3 C21
 758   8.676   2.746 0 U         1.779e+002 0.00e+000 -   0  220  222 0
# H/HB2 C21
 759   8.676   8.676 0 U         4.822e+004 0.00e+000 -   0  220  220 0
# H/H C21
 760   8.676   5.534 0 U         5.910e+001 0.00e+000 -   0  220  338 0
# H/HA C21
 761   8.676   4.695 0 U         1.457e+003 0.00e+000 -   0  220   51 0
# H C21/HA L20
 762   8.343   2.750 0 U         1.331e+002 0.00e+000 -   0  191  198 0
# H/HE3 K7
 763   8.343   1.572 0 U         1.576e+002 0.00e+000 -   0  191  202 0
# H/HD K7
 764   8.343   2.948 0 U         2.597e+002 0.00e+000 -   0  191  197 0
# H/HE2 K7
 765   8.343   7.304 0 U         5.729e+002 0.00e+000 -   0  191  356 0
# H K7/HD F28
 766   8.343   1.725 0 U         3.137e+003 0.00e+000 -   0  191  201 0
# H/HB2 K7
 767   8.343   4.199 0 U         9.715e+003 0.00e+000 -   0  191  282 0
# H K7/HA2 G6
 768   8.343   8.343 0 U         2.656e+005 0.00e+000 -   0  191  191 0
# H/H K7
 769   8.343   7.473 0 U         3.706e+001 0.00e+000 -   0  191  212 0
# H/HZ K7
 770   8.343   1.250 0 U         4.825e+002 0.00e+000 -   0  191  200 0
# H/HG3 K7
 771   8.343   4.259 0 U         3.415e+003 0.00e+000 -   0  191  229 0
# H/HA K7
 772   8.343   3.571 0 U         3.848e+003 0.00e+000 -   0  191  281 0
# H K7/HA3 G6
 773   8.343   1.406 0 U         3.053e+003 0.00e+000 -   0  191  199 0
# H/HG2 K7
 774   3.203   2.984 0 U         1.018e+004 0.00e+000 -   0  182  183 0
# HB2/HB3 C15
 775   3.203   3.203 0 U         1.243e+004 0.00e+000 -   0  182  182 0
# HB2/HB2 C15
 776   3.203   4.111 0 U         -3.497e+001 0.00e+000 -   0  182  181 0
# HB2/HA C15
 777   3.203   9.429 0 U         5.100e+002 0.00e+000 -   0  182    9 0
# HB2 C15/H L20
 778   3.203   8.047 0 U         1.259e+002 0.00e+000 -   0  182  180 0
# HB2/H C15
 779   5.534   2.556 0 U         -2.956e+001 0.00e+000 -   0  338  223 0
# HA/HB3 C21
 780   5.534   2.746 0 U         8.098e+001 0.00e+000 -   0  338  222 0
# HA/HB2 C21
 781   5.534   8.676 0 U         -2.194e+001 0.00e+000 -   0  338  220 0
# HA/H C21
 782   5.534   5.534 0 U         1.312e+003 0.00e+000 -   0  338  338 0
# HA/HA C21
 783   3.293   3.048 0 U         2.221e+004 0.00e+000 -   0  303  304 0
# HB2/HB3 N13
 784   3.293   3.293 0 U         8.414e+004 0.00e+000 -   0  303  303 0
# HB2/HB2 N13
 785   3.293   6.260 0 U         4.212e+002 0.00e+000 -   0  303  310 0
# HB2/HD22 N13
 786   3.293   3.725 0 U         6.205e+002 0.00e+000 -   0  303  302 0
# HB2/HA N13
 787   3.293   9.629 0 U         1.284e+003 0.00e+000 -   0  303  301 0
# HB2/H N13
 788   3.293   6.624 0 U         2.753e+003 0.00e+000 -   0  303  307 0
# HB2/HD21 N13
 789   3.434   2.614 0 U         6.963e+003 0.00e+000 -   0  291  292 0
# HB2/HB3 H4
 790   3.434   3.434 0 U         3.180e+004 0.00e+000 -   0  291  291 0
# HB2/HB2 H4
 791   3.434   4.664 0 U         1.321e+003 0.00e+000 -   0  291  290 0
# HB2/HA H4
 792   3.434  10.038 0 U         3.296e+002 0.00e+000 -   0  291  289 0
# HB2/H H4
 793   1.030   4.557 0 U         2.484e+002 0.00e+000 -   0  244  241 0
# HD/HA L30
 794   1.030   8.713 0 U         6.971e+001 0.00e+000 -   0  244  240 0
# HD/H L30
 795   1.030   9.384 0 U         1.281e+002 0.00e+000 -   0  244  171 0
# HD L30/H T22
 796   1.030   1.030 0 U         3.883e+004 0.00e+000 -   0  244  244 0
# HD/HD L30
 797   1.030   1.626 0 U         2.454e+003 0.00e+000 -   0  244  243 0
# HD/HG L30
 798   1.030   1.824 0 U         -5.323e+002 0.00e+000 -   0  244  242 0
# HD/HB L30
 799   5.364   1.436 0 U         5.174e+001 0.00e+000 -   0  316  328 0
# HA/HG1 I25
 800   5.364   1.810 0 U         -7.700e+000 0.00e+000 -   0  316  327 0
# HA/HB I25
 801   5.364   5.364 0 U         9.476e+002 0.00e+000 -   0  316  316 0
# HA/HA I25
 802   5.364   8.009 0 U         2.703e+001 0.00e+000 -   0  316  315 0
# HA/H I25
 803   5.364   0.867 0 U         1.187e+002 0.00e+000 -   0  316  330 0
# HA/HD1 I25
 804   5.364   1.055 0 U         -4.540e+001 0.00e+000 -   0  316  329 0
# HA/HG2 I25
 805   6.260   3.048 0 U         5.193e+002 0.00e+000 -   0  310  304 0
# HD22/HB3 N13
 806   6.260   3.293 0 U         5.796e+002 0.00e+000 -   0  310  303 0
# HD22/HB2 N13
 807   6.260   6.260 0 U         1.640e+005 0.00e+000 -   0  310  310 0
# HD22/HD22 N13
 808   6.260   3.725 0 U         3.862e+002 0.00e+000 -   0  310  302 0
# HD22/HA N13
 809   6.260   9.629 0 U         1.012e+003 0.00e+000 -   0  310  301 0
# HD22/H N13
 810   6.260   6.624 0 U         8.464e+003 0.00e+000 -   0  310  307 0
# HD22/HD21 N13
 811   7.473   2.750 0 U         -2.876e+000 0.00e+000 -   0  212  198 0
# HZ/HE3 K7
 812   7.473   1.572 0 U         4.000e+000 0.00e+000 -   0  212  202 0
# HZ/HD K7
 813   7.473   2.948 0 U         2.577e+002 0.00e+000 -   0  212  197 0
# HZ/HE2 K7
 814   7.473   1.725 0 U         6.170e+000 0.00e+000 -   0  212  201 0
# HZ/HB2 K7
 815   7.473   8.343 0 U         -4.534e+001 0.00e+000 -   0  212  191 0
# HZ/H K7
 816   7.473   7.473 0 U         2.589e+004 0.00e+000 -   0  212  212 0
# HZ/HZ K7
 817   7.473   1.250 0 U         1.044e+002 0.00e+000 -   0  212  200 0
# HZ/HG3 K7
 818   7.473   4.259 0 U         2.327e+001 0.00e+000 -   0  212  229 0
# HZ/HA K7
 819   7.473   1.406 0 U         8.056e+001 0.00e+000 -   0  212  199 0
# HZ/HG2 K7
 820   1.148   8.376 0 U         8.910e+002 0.00e+000 -   0  205  188 0
# HG2/H I11
 821   1.148   4.176 0 U         5.091e+002 0.00e+000 -   0  205  207 0
# HG2/HA I11
 822   1.148   1.148 0 U         1.432e+005 0.00e+000 -   0  205  205 0
# HG2/HG2 I11
 823   1.148   1.637 0 U         2.103e+002 0.00e+000 -   0  205  204 0
# HG2/HG1 I11
 824   1.148   0.911 0 U         -6.454e+003 0.00e+000 -   0  205  190 0
# HG2/HD1 I11
 825   1.148   1.865 0 U         7.564e+002 0.00e+000 -   0  205  203 0
# HG2/HB I11
 826   7.826   3.488 0 U         3.979e+002 0.00e+000 -   0  366  333 0
# HE1/HB2 Y5
 827   7.826   2.707 0 U         2.074e+003 0.00e+000 -   0  366  179 0
# HE1 Y5/HB3 C16
 828   7.826   4.819 0 U         6.056e+001 0.00e+000 -   0  366  332 0
# HE1/HA Y5
 829   7.826   7.011 0 U         4.854e+004 0.00e+000 -   0  366  367 0
# HE1/HE2 Y5
 830   7.826   8.010 0 U         1.033e+003 0.00e+000 -   0  366  331 0
# HE1/H Y5
 831   7.826   2.837 0 U         2.085e+003 0.00e+000 -   0  366  178 0
# HE1 Y5/HB2 C16
 832   7.826   7.826 0 U         5.886e+004 0.00e+000 -   0  366  366 0
# HE1/HE1 Y5
 833   7.826   2.345 0 U         1.446e+003 0.00e+000 -   0  366  334 0
# HE1/HB3 Y5
 834   0.855   1.430 0 U         1.176e+004 0.00e+000 -   0  326  324 0
# HD1/HG1 I26
 835   0.855   4.389 0 U         6.418e+003 0.00e+000 -   0  326  318 0
# HD1/HA I26
 836   0.855   7.774 0 U         1.163e+003 0.00e+000 -   0  326  317 0
# HD1/H I26
 837   0.855   1.882 0 U         9.659e+003 0.00e+000 -   0  326  323 0
# HD1/HB I26
 838   0.855   0.855 0 U         3.991e+006 0.00e+000 -   0  326  326 0
# HD1/HD1 I26
 839   0.855   1.046 0 U         -1.248e+003 0.00e+000 -   0  326  325 0
# HD1/HG2 I26
 840   2.587   3.585 0 U         1.769e+003 0.00e+000 -   0  266  274 0
# HB2 P23/HD3 P24
 841   2.587   2.021 0 U         8.007e+002 0.00e+000 -   0  266  268 0
# HB2/HG P23
 842   2.587   3.849 0 U         9.722e+002 0.00e+000 -   0  266  273 0
# HB2 P23/HD2 P24
 843   2.587   2.243 0 U         1.660e+004 0.00e+000 -   0  266  267 0
# HB2/HB3 P23
 844   2.587   2.587 0 U         1.278e+005 0.00e+000 -   0  266  266 0
# HB2/HB2 P23
 845   2.587   3.662 0 U         7.216e+002 0.00e+000 -   0  266  270 0
# HB2/HD3 P23
 846   2.587   5.142 0 U         5.313e+003 0.00e+000 -   0  266  263 0
# HB2/HA P23
 847   2.587   3.970 0 U         1.357e+002 0.00e+000 -   0  266  269 0
# HB2/HD2 P23
 848   1.866   4.662 0 U         2.908e+002 0.00e+000 -   0  297  233 0
# HB/HA I12
 849   1.866   8.123 0 U         1.284e+003 0.00e+000 -   0  297  232 0
# HB/H I12
 850   1.866   1.731 0 U         7.548e+003 0.00e+000 -   0  297  299 0
# HB/HG1 I12
 851   1.866   0.875 0 U         2.304e+003 0.00e+000 -   0  297  298 0
# HB/HD1 I12
 852   1.866   1.866 0 U         1.124e+007 0.00e+000 -   0  297  297 0
# HB/HB I12
 853   2.862   4.534 0 U         1.711e+002 0.00e+000 -   0  286  284 0
# HG2/HA Q14
 854   2.862   6.823 0 U         8.755e+001 0.00e+000 -   0  286  362 0
# HG2/HE22 Q14
 855   2.862   8.644 0 U         5.348e+002 0.00e+000 -   0  286  283 0
# HG2/H Q14
 856   2.862   2.146 0 U         1.480e+002 0.00e+000 -   0  286  288 0
# HG2/HB2 Q14
 857   2.862   7.489 0 U         4.795e+001 0.00e+000 -   0  286  361 0
# HG2/HE21 Q14
 858   2.862   2.286 0 U         3.952e+002 0.00e+000 -   0  286  287 0
# HG2/HG3 Q14
 859   2.862   2.862 0 U         6.847e+004 0.00e+000 -   0  286  286 0
# HG2/HG2 Q14
 860   2.862   1.907 0 U         8.511e+002 0.00e+000 -   0  286  285 0
# HG2/HB3 Q14
 861   2.035   3.585 0 U         4.682e+003 0.00e+000 -   0  276  274 0
# HB3/HD3 P24
 862   2.035   3.849 0 U         5.400e+003 0.00e+000 -   0  276  273 0
# HB3/HD2 P24
 863   2.035   1.817 0 U         7.108e+003 0.00e+000 -   0  276  277 0
# HB3/HG P24
 864   2.035   3.976 0 U         2.171e+003 0.00e+000 -   0  276  272 0
# HB3/HA P24
 865   2.035   2.035 0 U         2.865e+005 0.00e+000 -   0  276  276 0
# HB3/HB3 P24
 866   2.035   2.335 0 U         5.415e+003 0.00e+000 -   0  276  275 0
# HB3/HB2 P24
 867   4.065   8.773 0 U         5.150e+002 0.00e+000 -   0  235  368 0
# HA I2/H A3
 868   4.065   0.917 0 U         9.358e+002 0.00e+000 -   0  235  250 0
# HA/HD1 I2
 869   4.065   1.900 0 U         7.154e+001 0.00e+000 -   0  235  249 0
# HA/HB I2
 870   4.065   4.065 0 U         4.579e+004 0.00e+000 -   0  235  235 0
# HA/HA I2
 871   4.065   1.276 0 U         -1.194e+002 0.00e+000 -   0  235  253 0
# HA/HG13 I2
 872   4.065   9.261 0 U         1.957e+002 0.00e+000 -   0  235  234 0
# HA/H I2
 873   4.065   1.368 0 U         -3.923e+001 0.00e+000 -   0  235  252 0
# HA/HG12 I2
 874   4.065   1.106 0 U         6.774e+002 0.00e+000 -   0  235  251 0
# HA/HG2 I2
 875   3.044   2.739 0 U         7.959e+003 0.00e+000 -   0  186  187 0
# HB2/HB3 C29
 876   3.044   3.044 0 U         1.468e+004 0.00e+000 -   0  186  186 0
# HB2/HB2 C29
 877   3.044   8.838 0 U         5.715e+002 0.00e+000 -   0  186  279 0
# HB2 C29/H G6
 878   3.044   4.803 0 U         1.881e+002 0.00e+000 -   0  186  185 0
# HB2/HA C29
 879   3.044   8.950 0 U         9.083e+002 0.00e+000 -   0  186  184 0
# HB2/H C29
 880   8.009   1.436 0 U         7.699e+002 0.00e+000 -   0  315  328 0
# H/HG1 I25
 881   8.009   1.810 0 U         4.164e+002 0.00e+000 -   0  315  327 0
# H/HB I25
 882   8.009   5.364 0 U         1.282e+001 0.00e+000 -   0  315  316 0
# H/HA I25
 883   8.009   8.009 0 U         2.889e+004 0.00e+000 -   0  315  315 0
# H/H I25
 884   8.009   0.867 0 U         4.733e+002 0.00e+000 -   0  315  330 0
# H/HD1 I25
 885   8.009   1.055 0 U         5.581e+002 0.00e+000 -   0  315  329 0
# H/HG2 I25
 886   2.856   4.982 0 U         3.934e+003 0.00e+000 -   0  248  246 0
# HB3/HA C8
 887   2.856   8.502 0 U         1.838e+003 0.00e+000 -   0  248  245 0
# HB3/H C8
 888   2.856   2.856 0 U         1.317e+005 0.00e+000 -   0  248  248 0
# HB3/HB3 C8
 889   2.856  10.038 0 U         -5.758e+001 0.00e+000 -   0  248  289 0
# HB3 C8/H H4
 890   2.856   3.230 0 U         2.167e+004 0.00e+000 -   0  248  247 0
# HB3/HB2 C8
 891   1.250   2.750 0 U         -1.445e+002 0.00e+000 -   0  200  198 0
# HG3/HE3 K7
 892   1.250   1.572 0 U         6.369e+003 0.00e+000 -   0  200  202 0
# HG3/HD K7
 893   1.250   2.948 0 U         3.302e+002 0.00e+000 -   0  200  197 0
# HG3/HE2 K7
 894   1.250   1.725 0 U         1.908e+003 0.00e+000 -   0  200  201 0
# HG3/HB2 K7
 895   1.250   8.343 0 U         5.143e+002 0.00e+000 -   0  200  191 0
# HG3/H K7
 896   1.250   7.473 0 U         -3.588e+001 0.00e+000 -   0  200  212 0
# HG3/HZ K7
 897   1.250   1.250 0 U         2.250e+003 0.00e+000 -   0  200  200 0
# HG3/HG3 K7
 898   1.250   4.259 0 U         4.063e+002 0.00e+000 -   0  200  229 0
# HG3/HA K7
 899   1.250   1.406 0 U         1.183e+004 0.00e+000 -   0  200  199 0
# HG3/HG2 K7
 900   4.094   4.094 0 U         8.295e+004 0.00e+000 -   0  320  320 0
# HA/HA G27
 901   4.094   8.163 0 U         1.454e+003 0.00e+000 -   0  320   78 0
# HA G27/H F28
 902   4.094   7.701 0 U         8.803e+002 0.00e+000 -   0  320  319 0
# HA/H G27
 903   1.276   0.917 0 U         -1.442e+002 0.00e+000 -   0  253  250 0
# HG13/HD1 I2
 904   1.276   1.900 0 U         -7.643e+002 0.00e+000 -   0  253  249 0
# HG13/HB I2
 905   1.276   4.065 0 U         -1.565e+002 0.00e+000 -   0  253  235 0
# HG13/HA I2
 906   1.276   1.276 0 U         8.420e+005 0.00e+000 -   0  253  253 0
# HG13/HG13 I2
 907   1.276   9.261 0 U         6.460e+001 0.00e+000 -   0  253  234 0
# HG13/H I2
 908   1.276   1.368 0 U         -3.811e+003 0.00e+000 -   0  253  252 0
# HG13/HG12 I2
 909   1.276   1.106 0 U         1.166e+004 0.00e+000 -   0  253  251 0
# HG13/HG2 I2
 910   4.259   2.750 0 U         7.173e+001 0.00e+000 -   0  229  198 0
# HA/HE3 K7
 911   4.259   8.502 0 U         1.562e+003 0.00e+000 -   0  229  245 0
# HA K7/H C8
 912   4.259   1.572 0 U         1.261e+002 0.00e+000 -   0  229  202 0
# HA/HD K7
 913   4.259   2.948 0 U         7.074e+001 0.00e+000 -   0  229  197 0
# HA/HE2 K7
 914   4.259   5.472 0 U         6.883e+002 0.00e+000 -   0  229   79 0
# HA K7/HA F28
 915   4.259   1.725 0 U         3.660e+002 0.00e+000 -   0  229  201 0
# HA/HB2 K7
 916   4.259   8.343 0 U         4.892e+002 0.00e+000 -   0  229  191 0
# HA/H K7
 917   4.259   7.473 0 U         -1.110e+001 0.00e+000 -   0  229  212 0
# HA/HZ K7
 918   4.259   1.250 0 U         3.445e+002 0.00e+000 -   0  229  200 0
# HA/HG3 K7
 919   4.259   4.259 0 U         2.377e+004 0.00e+000 -   0  229  229 0
# HA/HA K7
 920   4.259   8.163 0 U         2.438e+002 0.00e+000 -   0  229   78 0
# HA K7/H F28
 921   4.259   1.406 0 U         3.104e+001 0.00e+000 -   0  229  199 0
# HA/HG2 K7
 922   8.163   7.373 0 U         1.318e+002 0.00e+000 -   0   78  357 0
# H/HZ F28
 923   8.163   2.604 0 U         1.314e+003 0.00e+000 -   0   78   90 0
# H/HB3 F28
 924   8.163   7.304 0 U         9.057e+002 0.00e+000 -   0   78  356 0
# H/HD F28
 925   8.163   9.384 0 U         1.439e+003 0.00e+000 -   0   78  171 0
# H F28/H T22
 926   8.163   5.472 0 U         5.056e+002 0.00e+000 -   0   78   79 0
# H/HA F28
 927   8.163   4.094 0 U         5.742e+003 0.00e+000 -   0   78  320 0
# H F28/HA G27
 928   8.163   4.259 0 U         -2.747e+000 0.00e+000 -   0   78  229 0
# H F28/HA K7
 929   8.163   8.163 0 U         5.295e+004 0.00e+000 -   0   78   78 0
# H/H F28
 930   8.163   2.725 0 U         4.554e+002 0.00e+000 -   0   78   89 0
# H/HB2 F28
 931   1.443   0.886 0 U         2.466e+003 0.00e+000 -   0  375  377 0
# HB/HG3 P18
 932   1.443   3.504 0 U         4.290e+002 0.00e+000 -   0  375  372 0
# HB/HA P18
 933   1.443   1.062 0 U         4.230e+004 0.00e+000 -   0  375  376 0
# HB/HG2 P18
 934   1.443   1.443 0 U         3.968e+006 0.00e+000 -   0  375  375 0
# HB/HB P18
 935   1.443   2.340 0 U         2.589e+003 0.00e+000 -   0  375  374 0
# HB/HD P18
 936   1.366   8.773 0 U         -1.514e+002 0.00e+000 -   0  370  368 0
# HB/H A3
 937   1.366   1.366 0 U         -1.927e+004 0.00e+000 -   0  370  370 0
# HB/HB A3
 938   1.366   4.882 0 U         1.410e+000 0.00e+000 -   0  370  369 0
# HB/HA A3
 939   0.867   1.436 0 U         -1.107e+004 0.00e+000 -   0  330  328 0
# HD1/HG1 I25
 940   0.867   1.810 0 U         -4.213e+003 0.00e+000 -   0  330  327 0
# HD1/HB I25
 941   0.867   5.364 0 U         1.856e+002 0.00e+000 -   0  330  316 0
# HD1/HA I25
 942   0.867   8.009 0 U         -4.239e+002 0.00e+000 -   0  330  315 0
# HD1/H I25
 943   0.867   0.867 0 U         -1.104e+007 0.00e+000 -   0  330  330 0
# HD1/HD1 I25
 944   0.867   1.055 0 U         -4.909e+002 0.00e+000 -   0  330  329 0
# HD1/HG2 I25
 945   3.571   4.199 0 U         1.425e+004 0.00e+000 -   0  281  282 0
# HA3/HA2 G6
 946   3.571   8.343 0 U         2.233e+003 0.00e+000 -   0  281  191 0
# HA3 G6/H K7
 947   3.571   3.571 0 U         4.391e+004 0.00e+000 -   0  281  281 0
# HA3/HA3 G6
 948   3.571   8.838 0 U         1.055e+003 0.00e+000 -   0  281  279 0
# HA3/H G6
 949   3.662   2.021 0 U         2.862e+003 0.00e+000 -   0  270  268 0
# HD3/HG P23
 950   3.662   2.243 0 U         2.611e+002 0.00e+000 -   0  270  267 0
# HD3/HB3 P23
 951   3.662   2.587 0 U         1.073e+003 0.00e+000 -   0  270  266 0
# HD3/HB2 P23
 952   3.662   3.662 0 U         2.103e+005 0.00e+000 -   0  270  270 0
# HD3/HD3 P23
 953   3.662   5.142 0 U         5.644e+002 0.00e+000 -   0  270  263 0
# HD3/HA P23
 954   3.662   3.970 0 U         1.185e+004 0.00e+000 -   0  270  269 0
# HD3/HD2 P23
 955   9.261   4.662 0 U         2.822e+002 0.00e+000 -   0  234  233 0
# H I2/HA I12
 956   9.261   0.917 0 U         3.063e+003 0.00e+000 -   0  234  250 0
# H/HD1 I2
 957   9.261   1.900 0 U         2.837e+003 0.00e+000 -   0  234  249 0
# H/HB I2
 958   9.261   4.065 0 U         1.023e+003 0.00e+000 -   0  234  235 0
# H/HA I2
 959   9.261   1.276 0 U         1.407e+001 0.00e+000 -   0  234  253 0
# H/HG13 I2
 960   9.261   9.261 0 U         4.125e+004 0.00e+000 -   0  234  234 0
# H/H I2
 961   9.261  10.038 0 U         7.428e+002 0.00e+000 -   0  234  289 0
# H I2/H H4
 962   9.261   4.803 0 U         4.071e+002 0.00e+000 -   0  234  185 0
# H I2/HA C29
 963   9.261   1.368 0 U         -2.850e+001 0.00e+000 -   0  234  252 0
# H/HG12 I2
 964   9.261   1.106 0 U         4.607e+002 0.00e+000 -   0  234  251 0
# H/HG2 I2
 965   4.111   2.984 0 U         -3.884e+001 0.00e+000 -   0  181  183 0
# HA/HB3 C15
 966   4.111   8.787 0 U         4.065e+002 0.00e+000 -   0  181  176 0
# HA C15/H C16
 967   4.111   3.203 0 U         -4.252e+001 0.00e+000 -   0  181  182 0
# HA/HB2 C15
 968   4.111   4.111 0 U         3.448e+004 0.00e+000 -   0  181  181 0
# HA/HA C15
 969   4.111   8.047 0 U         6.594e+001 0.00e+000 -   0  181  180 0
# HA/H C15
 970   3.725   3.048 0 U         1.862e+003 0.00e+000 -   0  302  304 0
# HA/HB3 N13
 971   3.725   3.293 0 U         -1.475e+003 0.00e+000 -   0  302  303 0
# HA/HB2 N13
 972   3.725   6.260 0 U         2.138e+002 0.00e+000 -   0  302  310 0
# HA/HD22 N13
 973   3.725   3.725 0 U         6.902e+004 0.00e+000 -   0  302  302 0
# HA/HA N13
 974   3.725   9.629 0 U         3.839e+003 0.00e+000 -   0  302  301 0
# HA/H N13
 975   3.725   6.624 0 U         1.741e+003 0.00e+000 -   0  302  307 0
# HA/HD21 N13
 976   4.664   8.713 0 U         2.447e+002 0.00e+000 -   0  290  240 0
# HA H4/H L30
 977   4.664   2.614 0 U         1.382e+003 0.00e+000 -   0  290  292 0
# HA/HB3 H4
 978   4.664   3.434 0 U         -1.411e+003 0.00e+000 -   0  290  291 0
# HA/HB2 H4
 979   4.664   4.664 0 U         6.535e+002 0.00e+000 -   0  290  290 0
# HA/HA H4
 980   4.664  10.038 0 U         -2.085e+002 0.00e+000 -   0  290  289 0
# HA/H H4
 981   1.626   4.557 0 U         6.330e+002 0.00e+000 -   0  243  241 0
# HG/HA L30
 982   1.626   8.713 0 U         5.809e+002 0.00e+000 -   0  243  240 0
# HG/H L30
 983   1.626   1.030 0 U         2.158e+003 0.00e+000 -   0  243  244 0
# HG/HD L30
 984   1.626   1.626 0 U         3.140e+004 0.00e+000 -   0  243  243 0
# HG/HG L30
 985   1.626   1.824 0 U         2.456e+003 0.00e+000 -   0  243  242 0
# HG/HB L30
 986   2.725   7.373 0 U         4.542e+001 0.00e+000 -   0   89  357 0
# HB2/HZ F28
 987   2.725   2.604 0 U         1.387e+004 0.00e+000 -   0   89   90 0
# HB2/HB3 F28
 988   2.725   7.304 0 U         1.965e+003 0.00e+000 -   0   89  356 0
# HB2/HD F28
 989   2.725   5.472 0 U         1.462e+003 0.00e+000 -   0   89   79 0
# HB2/HA F28
 990   2.725   8.163 0 U         1.303e+002 0.00e+000 -   0   89   78 0
# HB2/H F28
 991   2.725   2.725 0 U         -2.672e+004 0.00e+000 -   0   89   89 0
# HB2/HB2 F28
 992   4.695   0.887 0 U         2.008e+003 0.00e+000 -   0   51  105 0
# HA/HD1 L20
 993   4.695   8.676 0 U         5.715e+002 0.00e+000 -   0   51  220 0
# HA L20/H C21
 994   4.695   4.695 0 U         -8.992e+002 0.00e+000 -   0   51   51 0
# HA/HA L20
 995   4.695   9.429 0 U         -1.626e+003 0.00e+000 -   0   51    9 0
# HA/H L20
 996   4.695   1.576 0 U         5.272e+002 0.00e+000 -   0   51  103 0
# HA/HB L20
 997   4.695   1.453 0 U         -1.408e+002 0.00e+000 -   0   51  261 0
# HA/HG L20
 998   7.701   4.389 0 U         6.858e+003 0.00e+000 -   0  319  318 0
# H G27/HA I26
 999   7.701   8.502 0 U         3.641e+002 0.00e+000 -   0  319  245 0
# H G27/H C8
1000   7.701   4.094 0 U         4.107e+003 0.00e+000 -   0  319  320 0
# H/HA G27
1001   7.701   7.701 0 U         8.174e+004 0.00e+000 -   0  319  319 0
# H/H G27
1002   1.637   8.376 0 U         -6.739e+001 0.00e+000 -   0  204  188 0
# HG1/H I11
1003   1.637   4.176 0 U         4.558e+001 0.00e+000 -   0  204  207 0
# HG1/HA I11
1004   1.637   1.148 0 U         -2.041e+002 0.00e+000 -   0  204  205 0
# HG1/HG2 I11
1005   1.637   1.637 0 U         1.173e+005 0.00e+000 -   0  204  204 0
# HG1/HG1 I11
1006   1.637   0.911 0 U         4.197e+002 0.00e+000 -   0  204  190 0
# HG1/HD1 I11
1007   1.637   1.865 0 U         3.715e+003 0.00e+000 -   0  204  203 0
# HG1/HB I11
1008   9.429   0.887 0 U         2.253e+002 0.00e+000 -   0    9  105 0
# H/HD1 L20
1009   9.429   2.984 0 U         6.450e+002 0.00e+000 -   0    9  183 0
# H L20/HB3 C15
1010   9.429   3.203 0 U         7.361e+002 0.00e+000 -   0    9  182 0
# H L20/HB2 C15
1011   9.429   4.695 0 U         1.103e+003 0.00e+000 -   0    9   51 0
# H/HA L20
1012   9.429   9.429 0 U         2.880e+004 0.00e+000 -   0    9    9 0
# H/H L20
1013   9.429   1.576 0 U         2.145e+003 0.00e+000 -   0    9  103 0
# H/HB L20
1014   9.429   1.453 0 U         6.797e+002 0.00e+000 -   0    9  261 0
# H/HG L20
1015   9.429   4.747 0 U         1.026e+003 0.00e+000 -   0    9  312 0
# H L20/HA W19
1016   8.047   4.534 0 U         2.501e+002 0.00e+000 -   0  180  284 0
# H C15/HA Q14
1017   8.047   2.984 0 U         4.302e+002 0.00e+000 -   0  180  183 0
# H/HB3 C15
1018   8.047   3.203 0 U         1.467e+002 0.00e+000 -   0  180  182 0
# H/HB2 C15
1019   8.047   4.111 0 U         1.210e+002 0.00e+000 -   0  180  181 0
# H/HA C15
1020   8.047   8.047 0 U         1.819e+004 0.00e+000 -   0  180  180 0
# H/H C15
1021   1.258   4.305 0 U         2.504e+003 0.00e+000 -   0  174  173 0
# HG1/HB T22
1022   1.258   4.434 0 U         2.764e+002 0.00e+000 -   0  174  172 0
# HG1/HA T22
1023   1.258   9.384 0 U         1.818e+002 0.00e+000 -   0  174  171 0
# HG1/H T22
1024   1.258   1.258 0 U         1.502e+005 0.00e+000 -   0  174  174 0
# HG1/HG1 T22
1025   2.811   5.022 0 U         2.816e+003 0.00e+000 -   0  341  340 0
# HB/HA D17
1026   2.811   8.434 0 U         3.277e+002 0.00e+000 -   0  341  339 0
# HB/H D17
1027   2.811   3.504 0 U         6.246e+001 0.00e+000 -   0  341  372 0
# HB D17/HA P18
1028   2.811   2.811 0 U         3.472e+004 0.00e+000 -   0  341  341 0
# HB/HB D17
1029   2.345   3.488 0 U         2.659e+003 0.00e+000 -   0  334  333 0
# HB3/HB2 Y5
1030   2.345   4.819 0 U         -1.424e+002 0.00e+000 -   0  334  332 0
# HB3/HA Y5
1031   2.345   7.011 0 U         8.481e+001 0.00e+000 -   0  334  367 0
# HB3/HE2 Y5
1032   2.345   8.010 0 U         1.431e+003 0.00e+000 -   0  334  331 0
# HB3/H Y5
1033   2.345   7.826 0 U         9.260e+002 0.00e+000 -   0  334  366 0
# HB3/HE1 Y5
1034   2.345   2.345 0 U         2.431e+005 0.00e+000 -   0  334  334 0
# HB3/HB3 Y5
1035   1.046   1.430 0 U         1.646e+004 0.00e+000 -   0  325  324 0
# HG2/HG1 I26
1036   1.046   4.389 0 U         1.575e+003 0.00e+000 -   0  325  318 0
# HG2/HA I26
1037   1.046   7.774 0 U         3.056e+002 0.00e+000 -   0  325  317 0
# HG2/H I26
1038   1.046   1.882 0 U         5.713e+003 0.00e+000 -   0  325  323 0
# HG2/HB I26
1039   1.046   0.855 0 U         -1.171e+004 0.00e+000 -   0  325  326 0
# HG2/HD1 I26
1040   1.046   1.046 0 U         9.824e+005 0.00e+000 -   0  325  325 0
# HG2/HG2 I26
1041   9.629   4.534 0 U         1.041e+002 0.00e+000 -   0  301  284 0
# H N13/HA Q14
1042   9.629   2.750 0 U         4.782e+002 0.00e+000 -   0  301  198 0
# H N13/HE3 K7
1043   9.629   8.644 0 U         2.005e+002 0.00e+000 -   0  301  283 0
# H N13/H Q14
1044   9.629   3.048 0 U         1.682e+003 0.00e+000 -   0  301  304 0
# H/HB3 N13
1045   9.629   2.948 0 U         3.887e+002 0.00e+000 -   0  301  197 0
# H N13/HE2 K7
1046   9.629   3.293 0 U         1.703e+003 0.00e+000 -   0  301  303 0
# H/HB2 N13
1047   9.629   6.260 0 U         9.713e+002 0.00e+000 -   0  301  310 0
# H/HD22 N13
1048   9.629   3.725 0 U         3.513e+003 0.00e+000 -   0  301  302 0
# H/HA N13
1049   9.629   9.629 0 U         2.768e+004 0.00e+000 -   0  301  301 0
# H/H N13
1050   9.629   6.624 0 U         2.237e+002 0.00e+000 -   0  301  307 0
# H/HD21 N13
1051  10.038   2.614 0 U         2.279e+003 0.00e+000 -   0  289  292 0
# H/HB3 H4
1052  10.038   2.948 0 U         4.836e+002 0.00e+000 -   0  289  197 0
# H H4/HE2 K7
1053  10.038   1.900 0 U         1.161e+003 0.00e+000 -   0  289  249 0
# H H4/HB I2
1054  10.038   3.434 0 U         9.312e+002 0.00e+000 -   0  289  291 0
# H/HB2 H4
1055  10.038   2.856 0 U         1.363e+002 0.00e+000 -   0  289  248 0
# H H4/HB3 C8
1056  10.038   9.261 0 U         1.416e+003 0.00e+000 -   0  289  234 0
# H H4/H I2
1057  10.038   4.664 0 U         1.803e+003 0.00e+000 -   0  289  290 0
# H/HA H4
1058  10.038  10.038 0 U         9.071e+004 0.00e+000 -   0  289  289 0
# H/H H4
1059  10.038   3.230 0 U         6.039e+002 0.00e+000 -   0  289  247 0
# H H4/HB2 C8
1060  10.038   4.882 0 U         9.705e+003 0.00e+000 -   0  289  369 0
# H H4/HA A3
1061   1.907   4.534 0 U         2.456e+003 0.00e+000 -   0  285  284 0
# HB3/HA Q14
1062   1.907   6.823 0 U         6.032e+001 0.00e+000 -   0  285  362 0
# HB3/HE22 Q14
1063   1.907   8.644 0 U         1.212e+003 0.00e+000 -   0  285  283 0
# HB3/H Q14
1064   1.907   2.146 0 U         8.539e+003 0.00e+000 -   0  285  288 0
# HB3/HB2 Q14
1065   1.907   7.489 0 U         1.131e+002 0.00e+000 -   0  285  361 0
# HB3/HE21 Q14
1066   1.907   2.286 0 U         4.596e+003 0.00e+000 -   0  285  287 0
# HB3/HG3 Q14
1067   1.907   2.862 0 U         3.849e+002 0.00e+000 -   0  285  286 0
# HB3/HG2 Q14
1068   1.907   1.907 0 U         6.341e+005 0.00e+000 -   0  285  285 0
# HB3/HB3 Q14
1069   8.838   4.819 0 U         2.189e+002 0.00e+000 -   0  279  332 0
# H G6/HA Y5
1070   8.838   2.739 0 U         4.988e+002 0.00e+000 -   0  279  187 0
# H G6/HB3 C29
1071   8.838   4.199 0 U         1.064e+003 0.00e+000 -   0  279  282 0
# H/HA2 G6
1072   8.838   3.044 0 U         9.672e+002 0.00e+000 -   0  279  186 0
# H G6/HB2 C29
1073   8.838   3.571 0 U         2.442e+003 0.00e+000 -   0  279  281 0
# H/HA3 G6
1074   8.838   8.838 0 U         2.481e+004 0.00e+000 -   0  279  279 0
# H/H G6
1075   2.335   3.585 0 U         1.667e+002 0.00e+000 -   0  275  274 0
# HB2/HD3 P24
1076   2.335   7.774 0 U         1.396e+003 0.00e+000 -   0  275  317 0
# HB2 P24/H I26
1077   2.335   3.849 0 U         6.408e+002 0.00e+000 -   0  275  273 0
# HB2/HD2 P24
1078   2.335   1.817 0 U         1.615e+004 0.00e+000 -   0  275  277 0
# HB2/HG P24
1079   2.335   3.976 0 U         3.633e+003 0.00e+000 -   0  275  272 0
# HB2/HA P24
1080   2.335   2.035 0 U         4.119e+003 0.00e+000 -   0  275  276 0
# HB2/HB3 P24
1081   2.335   2.335 0 U         -1.318e+005 0.00e+000 -   0  275  275 0
# HB2/HB2 P24
1082   5.142   3.585 0 U         2.872e+002 0.00e+000 -   0  263  274 0
# HA P23/HD3 P24
1083   5.142   2.021 0 U         1.313e+002 0.00e+000 -   0  263  268 0
# HA/HG P23
1084   5.142   4.434 0 U         1.212e+002 0.00e+000 -   0  263  172 0
# HA P23/HA T22
1085   5.142   3.849 0 U         7.303e+002 0.00e+000 -   0  263  273 0
# HA P23/HD2 P24
1086   5.142   2.243 0 U         4.968e+002 0.00e+000 -   0  263  267 0
# HA/HB3 P23
1087   5.142   2.587 0 U         5.052e+002 0.00e+000 -   0  263  266 0
# HA/HB2 P23
1088   5.142   3.662 0 U         1.078e+002 0.00e+000 -   0  263  270 0
# HA/HD3 P23
1089   5.142   5.142 0 U         1.108e+004 0.00e+000 -   0  263  263 0
# HA/HA P23
1090   5.142   3.970 0 U         -1.884e+001 0.00e+000 -   0  263  269 0
# HA/HD2 P23
1091   3.924   4.295 0 U         5.321e+003 0.00e+000 -   0  219  218 0
# HA3/HA2 G10
1092   3.924   8.376 0 U         3.544e+002 0.00e+000 -   0  219  188 0
# HA3 G10/H I11
1093   3.924   3.924 0 U         2.824e+004 0.00e+000 -   0  219  219 0
# HA3/HA3 G10
1094   3.924   8.438 0 U         6.484e+002 0.00e+000 -   0  219  109 0
# HA3/H G10
1095   4.803   8.713 0 U         7.197e+003 0.00e+000 -   0  185  240 0
# HA C29/H L30
1096   4.803   2.739 0 U         3.114e+003 0.00e+000 -   0  185  187 0
# HA/HB3 C29
1097   4.803   3.044 0 U         5.213e+003 0.00e+000 -   0  185  186 0
# HA/HB2 C29
1098   4.803   9.261 0 U         -6.780e+003 0.00e+000 -   0  185  234 0
# HA C29/H I2
1099   4.803   4.803 0 U         -9.940e+004 0.00e+000 -   0  185  185 0
# HA/HA C29
1100   4.803   8.950 0 U         -2.733e+003 0.00e+000 -   0  185  184 0
# HA/H C29
1101   4.803   8.438 0 U         -1.089e+004 0.00e+000 -   0  185  109 0
# HA C29/H G10
1102   2.325   8.781 0 U         9.351e+001 0.00e+000 -   0  348  311 0
# HB2/H W19
1103   2.325   9.725 0 U         7.383e+001 0.00e+000 -   0  348  352 0
# HB2/HE1 W19
1104   2.325   2.325 0 U         1.815e+005 0.00e+000 -   0  348  348 0
# HB2/HB2 W19
1105   2.325   1.875 0 U         3.212e+002 0.00e+000 -   0  348  358 0
# HB2/HB3 W19
1106   2.325   4.747 0 U         -2.383e+001 0.00e+000 -   0  348  312 0
# HB2/HA W19
1107   3.230   4.982 0 U         1.411e+003 0.00e+000 -   0  247  246 0
# HB2/HA C8
1108   3.230   8.502 0 U         1.405e+003 0.00e+000 -   0  247  245 0
# HB2/H C8
1109   3.230   2.856 0 U         1.369e+004 0.00e+000 -   0  247  248 0
# HB2/HB3 C8
1110   3.230  10.038 0 U         1.535e+002 0.00e+000 -   0  247  289 0
# HB2 C8/H H4
1111   3.230   3.230 0 U         1.067e+005 0.00e+000 -   0  247  247 0
# HB2/HB2 C8
1112   1.406   2.750 0 U         1.434e+002 0.00e+000 -   0  199  198 0
# HG2/HE3 K7
1113   1.406   1.572 0 U         6.634e+003 0.00e+000 -   0  199  202 0
# HG2/HD K7
1114   1.406   2.948 0 U         1.422e+002 0.00e+000 -   0  199  197 0
# HG2/HE2 K7
1115   1.406   1.725 0 U         1.608e+003 0.00e+000 -   0  199  201 0
# HG2/HB2 K7
1116   1.406   8.343 0 U         1.191e+003 0.00e+000 -   0  199  191 0
# HG2/H K7
1117   1.406   7.473 0 U         3.138e+001 0.00e+000 -   0  199  212 0
# HG2/HZ K7
1118   1.406   1.250 0 U         5.950e+003 0.00e+000 -   0  199  200 0
# HG2/HG3 K7
1119   1.406   4.259 0 U         3.793e+002 0.00e+000 -   0  199  229 0
# HG2/HA K7
1120   1.406   1.406 0 U         9.121e+004 0.00e+000 -   0  199  199 0
# HG2/HG2 K7
1121   1.875   8.781 0 U         1.425e+003 0.00e+000 -   0  358  311 0
# HB3/H W19
1122   1.875   9.725 0 U         -6.939e+001 0.00e+000 -   0  358  352 0
# HB3/HE1 W19
1123   1.875   2.325 0 U         3.091e+003 0.00e+000 -   0  358  348 0
# HB3/HB2 W19
1124   1.875   1.875 0 U         -2.594e+006 0.00e+000 -   0  358  358 0
# HB3/HB3 W19
1125   1.875   4.747 0 U         5.060e+002 0.00e+000 -   0  358  312 0
# HB3/HA W19
1126   1.368   0.917 0 U         -2.884e+003 0.00e+000 -   0  252  250 0
# HG12/HD1 I2
1127   1.368   1.900 0 U         1.485e+003 0.00e+000 -   0  252  249 0
# HG12/HB I2
1128   1.368   4.065 0 U         -5.907e+001 0.00e+000 -   0  252  235 0
# HG12/HA I2
1129   1.368   1.276 0 U         1.014e+004 0.00e+000 -   0  252  253 0
# HG12/HG13 I2
1130   1.368   9.261 0 U         -4.648e+001 0.00e+000 -   0  252  234 0
# HG12/H I2
1131   1.368   1.368 0 U         2.094e+005 0.00e+000 -   0  252  252 0
# HG12/HG12 I2
1132   1.368   1.106 0 U         5.148e+002 0.00e+000 -   0  252  251 0
# HG12/HG2 I2
1133   1.576   0.887 0 U         1.736e+003 0.00e+000 -   0  103  105 0
# HB/HD1 L20
1134   1.576   4.695 0 U         1.482e+003 0.00e+000 -   0  103   51 0
# HB/HA L20
1135   1.576   9.429 0 U         1.078e+003 0.00e+000 -   0  103    9 0
# HB/H L20
1136   1.576   1.576 0 U         6.057e+005 0.00e+000 -   0  103  103 0
# HB/HB L20
1137   1.576   1.453 0 U         2.171e+004 0.00e+000 -   0  103  261 0
# HB/HG L20
1138   2.340   8.781 0 U         2.011e+002 0.00e+000 -   0  374  311 0
# HD P18/H W19
1139   2.340   0.886 0 U         4.675e+003 0.00e+000 -   0  374  377 0
# HD/HG3 P18
1140   2.340   3.504 0 U         -6.527e+002 0.00e+000 -   0  374  372 0
# HD/HA P18
1141   2.340   1.062 0 U         1.507e+003 0.00e+000 -   0  374  376 0
# HD/HG2 P18
1142   2.340   1.443 0 U         3.681e+003 0.00e+000 -   0  374  375 0
# HD/HB P18
1143   2.340   2.340 0 U         5.600e+004 0.00e+000 -   0  374  374 0
# HD/HD P18
1144   4.882   8.773 0 U         -2.235e+002 0.00e+000 -   0  369  368 0
# HA/H A3
1145   4.882   1.366 0 U         1.957e+003 0.00e+000 -   0  369  370 0
# HA/HB A3
1146   4.882  10.038 0 U         9.918e+002 0.00e+000 -   0  369  289 0
# HA A3/H H4
1147   4.882   4.882 0 U         2.609e+004 0.00e+000 -   0  369  369 0
# HA/HA A3
1148   1.055   1.436 0 U         -1.560e+004 0.00e+000 -   0  329  328 0
# HG2/HG1 I25
1149   1.055   1.810 0 U         -2.444e+003 0.00e+000 -   0  329  327 0
# HG2/HB I25
1150   1.055   5.364 0 U         2.498e+002 0.00e+000 -   0  329  316 0
# HG2/HA I25
1151   1.055   8.009 0 U         2.773e+002 0.00e+000 -   0  329  315 0
# HG2/H I25
1152   1.055   0.867 0 U         1.604e+004 0.00e+000 -   0  329  330 0
# HG2/HD1 I25
1153   1.055   1.055 0 U         -1.008e+006 0.00e+000 -   0  329  329 0
# HG2/HG2 I25
1154   3.970   2.021 0 U         1.553e+003 0.00e+000 -   0  269  268 0
# HD2/HG P23
1155   3.970   2.243 0 U         5.116e+002 0.00e+000 -   0  269  267 0
# HD2/HB3 P23
1156   3.970   2.587 0 U         1.684e+002 0.00e+000 -   0  269  266 0
# HD2/HB2 P23
1157   3.970   3.662 0 U         1.063e+004 0.00e+000 -   0  269  270 0
# HD2/HD3 P23
1158   3.970   5.142 0 U         3.447e+002 0.00e+000 -   0  269  263 0
# HD2/HA P23
1159   3.970   3.970 0 U         2.711e+002 0.00e+000 -   0  269  269 0
# HD2/HD2 P23
1160   1.453   0.887 0 U         3.949e+004 0.00e+000 -   0  261  105 0
# HG/HD1 L20
1161   1.453   4.695 0 U         1.516e+003 0.00e+000 -   0  261   51 0
# HG/HA L20
1162   1.453   9.429 0 U         1.962e+002 0.00e+000 -   0  261    9 0
# HG/H L20
1163   1.453   1.576 0 U         2.500e+004 0.00e+000 -   0  261  103 0
# HG/HB L20
1164   1.453   1.453 0 U         1.163e+007 0.00e+000 -   0  261  261 0
# HG/HG L20
1165   8.950   2.604 0 U         8.312e+002 0.00e+000 -   0  184   90 0
# H C29/HB3 F28
1166   8.950   5.472 0 U         5.222e+003 0.00e+000 -   0  184   79 0
# H C29/HA F28
1167   8.950   2.739 0 U         9.156e+002 0.00e+000 -   0  184  187 0
# H/HB3 C29
1168   8.950   3.044 0 U         3.303e+003 0.00e+000 -   0  184  186 0
# H/HB2 C29
1169   8.950   4.803 0 U         3.057e+002 0.00e+000 -   0  184  185 0
# H/HA C29
1170   8.950   8.950 0 U         4.739e+004 0.00e+000 -   0  184  184 0
# H/H C29
1171   8.438   4.295 0 U         2.904e+003 0.00e+000 -   0  109  218 0
# H/HA2 G10
1172   8.438   3.924 0 U         1.922e+003 0.00e+000 -   0  109  219 0
# H/HA3 G10
1173   8.438   4.803 0 U         9.659e+002 0.00e+000 -   0  109  185 0
# H G10/HA C29
1174   8.438   8.438 0 U         1.450e+005 0.00e+000 -   0  109  109 0
# H/H G10
1175   1.824   4.557 0 U         6.114e+002 0.00e+000 -   0  242  241 0
# HB/HA L30
1176   1.824   8.713 0 U         6.420e+002 0.00e+000 -   0  242  240 0
# HB/H L30
1177   1.824   1.030 0 U         1.530e+003 0.00e+000 -   0  242  244 0
# HB/HD L30
1178   1.824   1.626 0 U         7.725e+002 0.00e+000 -   0  242  243 0
# HB/HG L30
1179   1.824   1.824 0 U         2.376e+005 0.00e+000 -   0  242  242 0
# HB/HB L30
1180   0.911   8.376 0 U         4.546e+002 0.00e+000 -   0  190  188 0
# HD1/H I11
1181   0.911   4.176 0 U         1.746e+003 0.00e+000 -   0  190  207 0
# HD1/HA I11
1182   0.911   1.148 0 U         -1.140e+003 0.00e+000 -   0  190  205 0
# HD1/HG2 I11
1183   0.911   1.637 0 U         -2.434e+003 0.00e+000 -   0  190  204 0
# HD1/HG1 I11
1184   0.911   0.911 0 U         -6.793e+006 0.00e+000 -   0  190  190 0
# HD1/HD1 I11
1185   0.911   1.865 0 U         3.231e+002 0.00e+000 -   0  190  203 0
# HD1/HB I11
1186   4.747   8.781 0 U         -1.546e+003 0.00e+000 -   0  312  311 0
# HA/H W19
1187   4.747   9.725 0 U         4.618e+003 0.00e+000 -   0  312  352 0
# HA/HE1 W19
1188   4.747   9.429 0 U         -1.630e+003 0.00e+000 -   0  312    9 0
# HA W19/H L20
1189   4.747   2.325 0 U         5.176e+003 0.00e+000 -   0  312  348 0
# HA/HB2 W19
1190   4.747   1.875 0 U         -7.653e+002 0.00e+000 -   0  312  358 0
# HA/HB3 W19
1191   4.747   4.747 0 U         -4.664e+003 0.00e+000 -   0  312  312 0
# HA/HA W19
1192   6.624   3.048 0 U         7.204e+003 0.00e+000 -   0  307  304 0
# HD21/HB3 N13
1193   6.624   3.293 0 U         8.460e+003 0.00e+000 -   0  307  303 0
# HD21/HB2 N13
1194   6.624   6.260 0 U         1.573e+004 0.00e+000 -   0  307  310 0
# HD21/HD22 N13
1195   6.624   3.725 0 U         7.040e+003 0.00e+000 -   0  307  302 0
# HD21/HA N13
1196   6.624   9.629 0 U         8.615e+002 0.00e+000 -   0  307  301 0
# HD21/H N13
1197   6.624   6.624 0 U         1.970e+005 0.00e+000 -   0  307  307 0
# HD21/HD21 N13
1198   1.106   0.917 0 U         -2.548e+002 0.00e+000 -   0  251  250 0
# HG2/HD1 I2
1199   1.106   1.900 0 U         4.168e+003 0.00e+000 -   0  251  249 0
# HG2/HB I2
1200   1.106   4.065 0 U         3.208e+003 0.00e+000 -   0  251  235 0
# HG2/HA I2
1201   1.106   1.276 0 U         3.810e+003 0.00e+000 -   0  251  253 0
# HG2/HG13 I2
1202   1.106   9.261 0 U         2.636e+002 0.00e+000 -   0  251  234 0
# HG2/H I2
1203   1.106   1.368 0 U         -5.099e+002 0.00e+000 -   0  251  252 0
# HG2/HG12 I2
1204   1.106   1.106 0 U         3.419e+005 0.00e+000 -   0  251  251 0
# HG2/HG2 I2
1205   1.865   8.376 0 U         9.502e+002 0.00e+000 -   0  203  188 0
# HB/H I11
1206   1.865   4.176 0 U         1.286e+003 0.00e+000 -   0  203  207 0
# HB/HA I11
1207   1.865   1.148 0 U         1.088e+003 0.00e+000 -   0  203  205 0
# HB/HG2 I11
1208   1.865   1.637 0 U         2.022e+003 0.00e+000 -   0  203  204 0
# HB/HG1 I11
1209   1.865   0.911 0 U         4.749e+003 0.00e+000 -   0  203  190 0
# HB/HD1 I11
1210   1.865   1.865 0 U         -9.724e+006 0.00e+000 -   0  203  203 0
# HB/HB I11

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   CYS   1           H        CYS   1   1.940  -0.037   0.912
    2    HA   CYS   1           HA       CYS   1   2.948   0.751  -1.130
    3    HB2  CYS   1           HB2      CYS   1   3.249  -1.440  -2.405
    4    HB3  CYS   1           HB3      CYS   1   3.733  -1.440  -0.713
    5    H    ILE   2           H        ILE   2   1.068   2.164  -1.778
    6    HA   ILE   2           HA       ILE   2  -0.276   2.971  -3.427
    7    HB   ILE   2           HB       ILE   2   0.735   0.636  -5.055
    8   HG12  ILE   2          2HG1      ILE   2   2.563   2.049  -4.178
    9   HG13  ILE   2          3HG1      ILE   2   2.410   2.183  -5.927
   10   HG21  ILE   2          1HG2      ILE   2  -1.159   1.506  -6.143
   11   HG22  ILE   2          2HG2      ILE   2  -0.709   3.170  -5.772
   12   HG23  ILE   2          3HG2      ILE   2   0.221   2.248  -6.953
   13   HD11  ILE   2          3HD1      ILE   2   0.796   4.201  -4.835
   14   HD12  ILE   2          1HD1      ILE   2   2.316   4.229  -3.942
   15   HD13  ILE   2          2HD1      ILE   2   2.323   4.376  -5.700
   16    H    ALA   3           H        ALA   3  -2.366   2.808  -2.944
   17    HA   ALA   3           HA       ALA   3  -3.741   0.448  -2.337
   18    HB1  ALA   3           1HB      ALA   3  -4.737   3.155  -3.199
   19    HB2  ALA   3           HB2      ALA   3  -5.802   1.846  -2.686
   20    HB3  ALA   3           HB3      ALA   3  -4.619   2.512  -1.560
   21    H    HIS   4           H        HIS   4  -5.566  -0.501  -3.519
   22    HA   HIS   4           HA       HIS   4  -4.873  -1.521  -5.982
   23    HB2  HIS   4           HB2      HIS   4  -7.282  -1.471  -4.327
   24    HB3  HIS   4           HB3      HIS   4  -7.636  -1.584  -6.048
   25    HD1  HIS   4           HD1      HIS   4  -5.430  -3.349  -3.498
   26    HD2  HIS   4           HD2      HIS   4  -7.545  -4.118  -6.990
   27    HE1  HIS   4           HE1      HIS   4  -5.218  -5.825  -3.880
   28    H    TYR   5           H        TYR   5  -4.681  -0.634  -7.920
   29    HA   TYR   5           HA       TYR   5  -4.937   0.746  -9.709
   30    HB2  TYR   5           HB2      TYR   5  -7.669   1.481  -8.692
   31    HB3  TYR   5           HB3      TYR   5  -7.117   1.337 -10.357
   32    HD1  TYR   5           HD1      TYR   5  -5.776  -1.324 -10.227
   33    HD2  TYR   5           HD2      TYR   5  -9.485   0.002  -8.618
   34    HE1  TYR   5           HE1      TYR   5  -6.630  -3.629 -10.313
   35    HE2  TYR   5           HE2      TYR   5 -10.349  -2.299  -8.698
   36    HH   TYR   5           HH       TYR   5  -8.360  -4.966  -9.946
   37    H    GLY   6           H        GLY   6  -3.755   1.798  -7.327
   38    HA2  GLY   6           2HA      GLY   6  -4.720   4.564  -7.213
   39    HA3  GLY   6           3HA      GLY   6  -3.568   3.826  -6.110
   40    H    LYS   7           H        LYS   7  -3.057   6.301  -7.146
   41    HA   LYS   7           HA       LYS   7  -1.495   6.226  -9.522
   42    HB2  LYS   7           HB2      LYS   7  -2.459   8.203  -7.743
   43    HB3  LYS   7           HB3      LYS   7  -0.710   8.383  -7.797
   44    HG2  LYS   7           2HG      LYS   7  -1.886   8.018 -10.431
   45    HG3  LYS   7           3HG      LYS   7  -2.507   9.438  -9.587
   46    HD2  LYS   7           2HD      LYS   7   0.421   8.803  -9.942
   47    HD3  LYS   7           3HD      LYS   7  -0.497   9.899 -10.977
   48    HE2  LYS   7           2HE      LYS   7  -1.109  10.945  -8.593
   49    HE3  LYS   7           3HE      LYS   7   0.465  10.256  -8.199
   50    HZ1  LYS   7           3HZ      LYS   7   0.169  12.672  -9.230
   51    HZ2  LYS   7           1HZ      LYS   7   0.300  11.789 -10.667
   52    HZ3  LYS   7           2HZ      LYS   7   1.538  11.719  -9.517
   53    H    CYS   8           H        CYS   8   0.781   6.442  -9.731
   54    HA   CYS   8           HA       CYS   8   2.287   5.386  -7.427
   55    HB2  CYS   8           HB2      CYS   8   2.018   4.336 -10.051
   56    HB3  CYS   8           HB3      CYS   8   3.672   4.917  -9.888
   57    H    ASP   9           H        ASP   9   4.393   6.169  -7.083
   58    HA   ASP   9           HA       ASP   9   4.745   8.926  -7.740
   59    HB2  ASP   9           HB2      ASP   9   6.339   6.903  -6.199
   60    HB3  ASP   9           HB3      ASP   9   7.042   8.469  -6.595
   61    H    GLY  10           H        GLY  10   6.126   5.898  -8.872
   62    HA2  GLY  10           2HA      GLY  10   6.795   5.923 -11.257
   63    HA3  GLY  10           3HA      GLY  10   7.615   7.439 -10.910
   64    H    ILE  11           H        ILE  11   9.304   7.267  -9.118
   65    HA   ILE  11           HA       ILE  11  11.303   5.486  -9.918
   66    HB   ILE  11           HB       ILE  11  11.256   7.689  -8.324
   67   HG12  ILE  11          2HG1      ILE  11  13.172   6.951  -9.615
   68   HG13  ILE  11          3HG1      ILE  11  13.673   7.232  -7.951
   69   HG21  ILE  11          1HG2      ILE  11  11.906   7.142  -6.101
   70   HG22  ILE  11          2HG2      ILE  11  10.423   6.254  -6.445
   71   HG23  ILE  11          3HG2      ILE  11  11.978   5.421  -6.480
   72   HD11  ILE  11          3HD1      ILE  11  13.126   4.567  -9.232
   73   HD12  ILE  11          1HD1      ILE  11  14.700   5.229  -8.796
   74   HD13  ILE  11          2HD1      ILE  11  13.539   4.811  -7.536
   75    H    ILE  12           H        ILE  12   8.724   5.122  -7.634
   76    HA   ILE  12           HA       ILE  12   9.904   2.680  -6.535
   77    HB   ILE  12           HB       ILE  12   7.349   4.089  -5.754
   78   HG12  ILE  12          2HG1      ILE  12   9.320   4.118  -3.701
   79   HG13  ILE  12          3HG1      ILE  12  10.082   4.691  -5.180
   80   HG21  ILE  12          1HG2      ILE  12   6.995   1.937  -5.036
   81   HG22  ILE  12          2HG2      ILE  12   8.712   1.621  -4.793
   82   HG23  ILE  12          3HG2      ILE  12   7.829   2.620  -3.640
   83   HD11  ILE  12          3HD1      ILE  12   9.237   6.579  -4.028
   84   HD12  ILE  12          1HD1      ILE  12   8.189   6.306  -5.419
   85   HD13  ILE  12          2HD1      ILE  12   7.661   5.819  -3.808
   86    H    ASN  13           H        ASN  13   9.687   1.176  -8.153
   87    HA   ASN  13           HA       ASN  13   7.106   0.783  -9.428
   88    HB2  ASN  13           HB2      ASN  13   9.755  -0.639  -9.765
   89    HB3  ASN  13           HB3      ASN  13   8.305  -1.006 -10.696
   90   HD21  ASN  13          1HD2      ASN  13  10.447   1.677  -9.839
   91   HD22  ASN  13          2HD2      ASN  13  10.332   2.483 -11.363
   92    H    GLN  14           H        GLN  14   8.059   0.087  -6.495
   93    HA   GLN  14           HA       GLN  14   7.504  -2.736  -6.348
   94    HB2  GLN  14           HB2      GLN  14   8.016  -0.594  -4.299
   95    HB3  GLN  14           HB3      GLN  14   7.509  -2.211  -3.827
   96    HG2  GLN  14           2HG      GLN  14   9.766  -2.437  -3.675
   97    HG3  GLN  14           3HG      GLN  14   9.518  -2.938  -5.347
   98   HE21  GLN  14          1HE2      GLN  14  10.288  -1.684  -6.994
   99   HE22  GLN  14          2HE2      GLN  14  11.309  -0.313  -6.747
  100    H    CYS  15           H        CYS  15   5.388  -2.364  -7.513
  101    HA   CYS  15           HA       CYS  15   3.256  -1.450  -5.723
  102    HB2  CYS  15           HB2      CYS  15   3.352  -0.576  -8.063
  103    HB3  CYS  15           HB3      CYS  15   3.072  -2.214  -8.643
  104    H    CYS  16           H        CYS  16   2.657  -3.031  -4.369
  105    HA   CYS  16           HA       CYS  16   2.869  -5.764  -4.740
  106    HB2  CYS  16           HB2      CYS  16   0.723  -4.358  -3.139
  107    HB3  CYS  16           HB3      CYS  16   1.293  -6.007  -2.908
  108    H    ASP  17           H        ASP  17  -0.192  -3.941  -4.939
  109    HA   ASP  17           HA       ASP  17  -1.026  -5.735  -7.114
  110    HB2  ASP  17           HB2      ASP  17  -2.235  -5.429  -4.481
  111    HB3  ASP  17           HB3      ASP  17  -3.380  -5.111  -5.781
  112    HA   PRO  18           HA       PRO  18  -3.434  -5.869  -7.815
  113    HB2  PRO  18           HB2      PRO  18  -3.993  -5.724 -10.468
  114    HB3  PRO  18           HB3      PRO  18  -5.046  -5.038  -9.225
  115    HG2  PRO  18           2HG      PRO  18  -3.018  -3.674 -10.953
  116    HG3  PRO  18           3HG      PRO  18  -4.652  -3.143 -10.514
  117    HD2  PRO  18           2HD      PRO  18  -2.431  -2.182  -9.298
  118    HD3  PRO  18           3HD      PRO  18  -3.980  -2.366  -8.450
  119    H    TRP  19           H        TRP  19  -1.370  -4.481 -10.377
  120    HA   TRP  19           HA       TRP  19   0.227  -6.953 -10.299
  121    HB2  TRP  19           HB2      TRP  19  -0.658  -5.397 -12.734
  122    HB3  TRP  19           HB3      TRP  19   0.594  -6.635 -12.770
  123    HD1  TRP  19           HD1      TRP  19  -3.161  -6.188 -12.682
  124    HE1  TRP  19           HE1      TRP  19  -4.295  -8.488 -12.908
  125    HE3  TRP  19           HE3      TRP  19   0.953  -9.178 -12.159
  126    HZ2  TRP  19           HZ2      TRP  19  -3.545 -11.209 -12.870
  127    HZ3  TRP  19           HZ3      TRP  19   0.659 -11.619 -12.266
  128    HH2  TRP  19           HH2      TRP  19  -1.545 -12.611 -12.614
  129    H    LEU  20           H        LEU  20   0.827  -4.289 -12.468
  130    HA   LEU  20           HA       LEU  20   3.047  -3.385 -10.765
  131    HB2  LEU  20           HB2      LEU  20   4.240  -3.034 -13.056
  132    HB3  LEU  20           HB3      LEU  20   4.268  -4.608 -12.264
  133    HG   LEU  20           HG       LEU  20   2.516  -5.407 -13.759
  134   HD11  LEU  20          1HD1      LEU  20   1.138  -3.754 -14.447
  135   HD12  LEU  20          2HD1      LEU  20   2.241  -3.722 -15.821
  136   HD13  LEU  20          3HD1      LEU  20   2.427  -2.553 -14.515
  137   HD21  LEU  20          3HD2      LEU  20   3.830  -5.181 -15.927
  138   HD22  LEU  20          1HD2      LEU  20   4.686  -5.854 -14.541
  139   HD23  LEU  20          2HD2      LEU  20   4.955  -4.176 -15.012
  140    H    CYS  21           H        CYS  21   3.855  -1.230 -11.327
  141    HA   CYS  21           HA       CYS  21   1.642   0.524 -12.018
  142    HB2  CYS  21           HB2      CYS  21   4.266   0.841 -10.645
  143    HB3  CYS  21           HB3      CYS  21   3.582   2.257 -11.437
  144    H    THR  22           H        THR  22   1.394   1.462 -13.932
  145    HA   THR  22           HA       THR  22   3.714   1.991 -15.620
  146    HB   THR  22           HB       THR  22   1.345   0.376 -16.585
  147    HG1  THR  22           HG1      THR  22   2.598  -1.218 -15.992
  148   HG21  THR  22          3HG2      THR  22   3.796   1.173 -18.148
  149   HG22  THR  22          1HG2      THR  22   2.280   2.070 -18.210
  150   HG23  THR  22          2HG2      THR  22   2.334   0.392 -18.749
  151    HA   PRO  23           HA       PRO  23   4.246   2.953 -17.425
  152    HB2  PRO  23           HB2      PRO  23   5.281   5.459 -17.560
  153    HB3  PRO  23           HB3      PRO  23   4.243   4.779 -18.819
  154    HG2  PRO  23           2HG      PRO  23   3.539   6.646 -16.588
  155    HG3  PRO  23           3HG      PRO  23   3.035   6.693 -18.287
  156    HD2  PRO  23           2HD      PRO  23   1.442   5.731 -16.321
  157    HD3  PRO  23           3HD      PRO  23   1.403   5.094 -17.978
  158    HA   PRO  24           HA       PRO  24   6.724   3.049 -13.794
  159    HB2  PRO  24           HB2      PRO  24   9.218   3.535 -14.748
  160    HB3  PRO  24           HB3      PRO  24   8.382   1.996 -14.985
  161    HG2  PRO  24           2HG      PRO  24   8.674   4.303 -16.871
  162    HG3  PRO  24           3HG      PRO  24   8.817   2.566 -17.197
  163    HD2  PRO  24           2HD      PRO  24   6.583   3.979 -17.783
  164    HD3  PRO  24           3HD      PRO  24   6.534   2.270 -17.305
  165    H    ILE  25           H        ILE  25   6.296   5.848 -15.624
  166    HA   ILE  25           HA       ILE  25   7.910   7.538 -13.878
  167    HB   ILE  25           HB       ILE  25   6.127   8.471 -16.119
  168   HG12  ILE  25          2HG1      ILE  25   9.028   7.622 -16.270
  169   HG13  ILE  25          3HG1      ILE  25   7.669   6.777 -17.001
  170   HG21  ILE  25          1HG2      ILE  25   8.552   9.947 -15.744
  171   HG22  ILE  25          2HG2      ILE  25   6.881  10.494 -15.606
  172   HG23  ILE  25          3HG2      ILE  25   7.700   9.800 -14.206
  173   HD11  ILE  25          3HD1      ILE  25   9.157   9.099 -17.933
  174   HD12  ILE  25          1HD1      ILE  25   8.191   7.929 -18.832
  175   HD13  ILE  25          2HD1      ILE  25   7.406   9.291 -18.030
  176    H    ILE  26           H        ILE  26   4.591   7.861 -15.140
  177    HA   ILE  26           HA       ILE  26   3.538   8.159 -12.456
  178    HB   ILE  26           HB       ILE  26   3.635  10.448 -14.403
  179   HG12  ILE  26          2HG1      ILE  26   3.990  11.472 -11.915
  180   HG13  ILE  26          3HG1      ILE  26   4.638   9.852 -11.686
  181   HG21  ILE  26          1HG2      ILE  26   1.346  10.394 -13.917
  182   HG22  ILE  26          2HG2      ILE  26   1.623   9.919 -12.242
  183   HG23  ILE  26          3HG2      ILE  26   2.011  11.556 -12.770
  184   HD11  ILE  26          3HD1      ILE  26   5.937  12.069 -12.761
  185   HD12  ILE  26          1HD1      ILE  26   6.516  10.403 -12.711
  186   HD13  ILE  26          2HD1      ILE  26   5.636  10.990 -14.123
  187    H    GLY  27           H        GLY  27   1.711   7.037 -12.425
  188    HA2  GLY  27           2HA      GLY  27  -0.407   7.455 -14.260
  189    HA3  GLY  27           3HA      GLY  27   0.440   5.966 -14.656
  190    H    PHE  28           H        PHE  28  -1.117   4.513 -14.109
  191    HA   PHE  28           HA       PHE  28  -1.795   4.376 -11.250
  192    HB2  PHE  28           HB2      PHE  28  -3.677   3.839 -13.558
  193    HB3  PHE  28           HB3      PHE  28  -4.050   3.564 -11.859
  194    HD1  PHE  28           HD1      PHE  28  -3.952   5.589 -10.294
  195    HD2  PHE  28           HD2      PHE  28  -4.101   5.897 -14.537
  196    HE1  PHE  28           HE1      PHE  28  -4.752   7.906 -10.094
  197    HE2  PHE  28           HE2      PHE  28  -4.901   8.216 -14.344
  198    HZ   PHE  28           HZ       PHE  28  -5.227   9.224 -12.120
  199    H    CYS  29           H        CYS  29  -1.792   2.362 -10.337
  200    HA   CYS  29           HA       CYS  29  -0.345   0.319 -11.723
  201    HB2  CYS  29           HB2      CYS  29  -0.369   0.922  -9.177
  202    HB3  CYS  29           HB3      CYS  29  -1.763  -0.152  -9.123
  203    H    LEU  30           H        LEU  30  -1.100  -1.367 -12.832
  204    HA   LEU  30           HA       LEU  30  -3.825  -2.311 -12.377
  205    HB2  LEU  30           HB2      LEU  30  -4.213  -2.373 -14.849
  206    HB3  LEU  30           HB3      LEU  30  -4.197  -0.765 -14.128
  207    HG   LEU  30           HG       LEU  30  -1.602  -1.046 -14.943
  208   HD11  LEU  30          1HD1      LEU  30  -1.367  -2.299 -16.792
  209   HD12  LEU  30          2HD1      LEU  30  -2.984  -1.921 -17.383
  210   HD13  LEU  30          3HD1      LEU  30  -2.764  -3.168 -16.156
  211   HD21  LEU  30          3HD2      LEU  30  -2.854   0.136 -17.098
  212   HD22  LEU  30          1HD2      LEU  30  -2.326   0.950 -15.625
  213   HD23  LEU  30          2HD2      LEU  30  -3.991   0.387 -15.772
  Start of MODEL    2
    1    H1   CYS   1           H        CYS   1   1.807   0.001   0.856
    2    HA   CYS   1           HA       CYS   1   2.829   0.787  -1.178
    3    HB2  CYS   1           HB2      CYS   1   3.189  -1.404  -2.432
    4    HB3  CYS   1           HB3      CYS   1   3.641  -1.390  -0.730
    5    H    ILE   2           H        ILE   2   0.931   2.164  -1.857
    6    HA   ILE   2           HA       ILE   2  -0.406   2.936  -3.528
    7    HB   ILE   2           HB       ILE   2   0.677   0.618  -5.132
    8   HG12  ILE   2          2HG1      ILE   2   2.473   2.049  -4.254
    9   HG13  ILE   2          3HG1      ILE   2   2.316   2.223  -5.999
   10   HG21  ILE   2          1HG2      ILE   2  -1.222   1.445  -6.248
   11   HG22  ILE   2          2HG2      ILE   2  -0.807   3.119  -5.883
   12   HG23  ILE   2          3HG2      ILE   2   0.155   2.206  -7.045
   13   HD11  ILE   2          3HD1      ILE   2   0.669   4.193  -4.970
   14   HD12  ILE   2          1HD1      ILE   2   2.081   4.204  -3.914
   15   HD13  ILE   2          2HD1      ILE   2   2.279   4.410  -5.655
   16    H    ALA   3           H        ALA   3  -2.498   2.732  -3.072
   17    HA   ALA   3           HA       ALA   3  -3.833   0.345  -2.479
   18    HB1  ALA   3           1HB      ALA   3  -5.669   2.272  -3.535
   19    HB2  ALA   3           HB2      ALA   3  -5.422   1.766  -1.863
   20    HB3  ALA   3           HB3      ALA   3  -4.463   3.084  -2.536
   21    H    HIS   4           H        HIS   4  -5.619  -0.645  -3.683
   22    HA   HIS   4           HA       HIS   4  -4.873  -1.650  -6.137
   23    HB2  HIS   4           HB2      HIS   4  -7.342  -1.613  -4.543
   24    HB3  HIS   4           HB3      HIS   4  -7.604  -1.828  -6.271
   25    HD1  HIS   4           HD1      HIS   4  -5.541  -3.389  -3.485
   26    HD2  HIS   4           HD2      HIS   4  -7.305  -4.389  -7.111
   27    HE1  HIS   4           HE1      HIS   4  -5.206  -5.869  -3.734
   28    H    TYR   5           H        TYR   5  -4.679  -0.761  -8.074
   29    HA   TYR   5           HA       TYR   5  -4.945   0.612  -9.867
   30    HB2  TYR   5           HB2      TYR   5  -7.704   1.293  -8.886
   31    HB3  TYR   5           HB3      TYR   5  -7.130   1.145 -10.543
   32    HD1  TYR   5           HD1      TYR   5  -5.747  -1.484 -10.398
   33    HD2  TYR   5           HD2      TYR   5  -9.482  -0.225  -8.794
   34    HE1  TYR   5           HE1      TYR   5  -6.555  -3.805 -10.473
   35    HE2  TYR   5           HE2      TYR   5 -10.300  -2.544  -8.864
   36    HH   TYR   5           HH       TYR   5  -9.556  -4.755  -8.998
   37    H    GLY   6           H        GLY   6  -3.814   1.691  -7.473
   38    HA2  GLY   6           2HA      GLY   6  -4.842   4.436  -7.375
   39    HA3  GLY   6           3HA      GLY   6  -3.690   3.724  -6.255
   40    H    LYS   7           H        LYS   7  -3.204   6.204  -7.272
   41    HA   LYS   7           HA       LYS   7  -1.619   6.171  -9.633
   42    HB2  LYS   7           HB2      LYS   7  -2.673   8.122  -7.923
   43    HB3  LYS   7           HB3      LYS   7  -0.928   8.312  -7.809
   44    HG2  LYS   7           2HG      LYS   7  -1.883   7.991 -10.546
   45    HG3  LYS   7           3HG      LYS   7  -2.533   9.414  -9.728
   46    HD2  LYS   7           2HD      LYS   7   0.398   8.711  -9.865
   47    HD3  LYS   7           3HD      LYS   7  -0.410   9.842 -10.953
   48    HE2  LYS   7           2HE      LYS   7  -1.165  11.009  -8.762
   49    HE3  LYS   7           3HE      LYS   7   0.155  10.101  -8.025
   50    HZ1  LYS   7           3HZ      LYS   7   1.190  11.242 -10.318
   51    HZ2  LYS   7           1HZ      LYS   7   1.506  11.694  -8.718
   52    HZ3  LYS   7           2HZ      LYS   7   0.272  12.459  -9.585
   53    H    CYS   8           H        CYS   8   0.654   6.418  -9.821
   54    HA   CYS   8           HA       CYS   8   2.157   5.377  -7.509
   55    HB2  CYS   8           HB2      CYS   8   1.910   4.307 -10.119
   56    HB3  CYS   8           HB3      CYS   8   3.550   4.931  -9.977
   57    H    ASP   9           H        ASP   9   4.248   6.189  -7.148
   58    HA   ASP   9           HA       ASP   9   4.570   8.949  -7.790
   59    HB2  ASP   9           HB2      ASP   9   6.054   6.933  -6.180
   60    HB3  ASP   9           HB3      ASP   9   6.942   8.360  -6.708
   61    H    GLY  10           H        GLY  10   5.961   5.950  -8.974
   62    HA2  GLY  10           2HA      GLY  10   6.631   5.996 -11.349
   63    HA3  GLY  10           3HA      GLY  10   7.420   7.528 -11.004
   64    H    ILE  11           H        ILE  11   9.129   7.393  -9.233
   65    HA   ILE  11           HA       ILE  11  11.152   5.643 -10.049
   66    HB   ILE  11           HB       ILE  11  11.088   7.863  -8.480
   67   HG12  ILE  11          2HG1      ILE  11  12.998   7.144  -9.790
   68   HG13  ILE  11          3HG1      ILE  11  13.518   7.455  -8.137
   69   HG21  ILE  11          1HG2      ILE  11  11.878   5.631  -6.620
   70   HG22  ILE  11          2HG2      ILE  11  11.782   7.354  -6.261
   71   HG23  ILE  11          3HG2      ILE  11  10.309   6.436  -6.572
   72   HD11  ILE  11          3HD1      ILE  11  14.570   5.462  -8.971
   73   HD12  ILE  11          1HD1      ILE  11  13.435   5.038  -7.690
   74   HD13  ILE  11          2HD1      ILE  11  13.003   4.765  -9.379
   75    H    ILE  12           H        ILE  12   8.613   5.261  -7.722
   76    HA   ILE  12           HA       ILE  12   9.853   2.863  -6.598
   77    HB   ILE  12           HB       ILE  12   7.262   4.216  -5.837
   78   HG12  ILE  12          2HG1      ILE  12   9.223   4.333  -3.782
   79   HG13  ILE  12          3HG1      ILE  12   9.984   4.890  -5.268
   80   HG21  ILE  12          1HG2      ILE  12   7.691   2.805  -3.716
   81   HG22  ILE  12          2HG2      ILE  12   7.016   2.017  -5.141
   82   HG23  ILE  12          3HG2      ILE  12   8.729   1.839  -4.764
   83   HD11  ILE  12          3HD1      ILE  12   7.310   5.980  -4.649
   84   HD12  ILE  12          1HD1      ILE  12   8.651   6.502  -3.630
   85   HD13  ILE  12          2HD1      ILE  12   8.717   6.756  -5.374
   86    H    ASN  13           H        ASN  13   9.668   1.285  -8.128
   87    HA   ASN  13           HA       ASN  13   7.111   0.820  -9.433
   88    HB2  ASN  13           HB2      ASN  13   9.794  -0.552  -9.697
   89    HB3  ASN  13           HB3      ASN  13   8.362  -0.999 -10.619
   90   HD21  ASN  13          1HD2      ASN  13  10.427   1.773  -9.866
   91   HD22  ASN  13          2HD2      ASN  13  10.295   2.515 -11.421
   92    H    GLN  14           H        GLN  14   8.025   0.233  -6.468
   93    HA   GLN  14           HA       GLN  14   7.528  -2.594  -6.238
   94    HB2  GLN  14           HB2      GLN  14   8.017  -0.366  -4.290
   95    HB3  GLN  14           HB3      GLN  14   7.424  -1.921  -3.723
   96    HG2  GLN  14           2HG      GLN  14   9.649  -2.273  -3.493
   97    HG3  GLN  14           3HG      GLN  14   9.450  -2.816  -5.158
   98   HE21  GLN  14          1HE2      GLN  14  10.384  -1.682  -6.795
   99   HE22  GLN  14          2HE2      GLN  14  11.441  -0.338  -6.548
  100    H    CYS  15           H        CYS  15   5.429  -2.319  -7.454
  101    HA   CYS  15           HA       CYS  15   3.242  -1.420  -5.717
  102    HB2  CYS  15           HB2      CYS  15   3.389  -0.557  -8.072
  103    HB3  CYS  15           HB3      CYS  15   3.104  -2.201  -8.634
  104    H    CYS  16           H        CYS  16   2.631  -3.009  -4.382
  105    HA   CYS  16           HA       CYS  16   2.911  -5.740  -4.755
  106    HB2  CYS  16           HB2      CYS  16   0.714  -4.385  -3.180
  107    HB3  CYS  16           HB3      CYS  16   1.323  -6.020  -2.943
  108    H    ASP  17           H        ASP  17  -0.183  -3.978  -4.982
  109    HA   ASP  17           HA       ASP  17  -0.962  -5.799  -7.158
  110    HB2  ASP  17           HB2      ASP  17  -2.215  -5.454  -4.553
  111    HB3  ASP  17           HB3      ASP  17  -3.340  -5.144  -5.873
  112    HA   PRO  18           HA       PRO  18  -3.357  -5.950  -7.900
  113    HB2  PRO  18           HB2      PRO  18  -3.867  -5.858 -10.565
  114    HB3  PRO  18           HB3      PRO  18  -4.944  -5.149  -9.356
  115    HG2  PRO  18           2HG      PRO  18  -2.885  -3.817 -11.073
  116    HG3  PRO  18           3HG      PRO  18  -4.528  -3.279 -10.674
  117    HD2  PRO  18           2HD      PRO  18  -2.331  -2.292  -9.437
  118    HD3  PRO  18           3HD      PRO  18  -3.895  -2.461  -8.615
  119    H    TRP  19           H        TRP  19  -1.247  -4.610 -10.450
  120    HA   TRP  19           HA       TRP  19   0.350  -7.079 -10.293
  121    HB2  TRP  19           HB2      TRP  19  -0.490  -5.572 -12.776
  122    HB3  TRP  19           HB3      TRP  19   0.761  -6.812 -12.763
  123    HD1  TRP  19           HD1      TRP  19  -2.992  -6.360 -12.763
  124    HE1  TRP  19           HE1      TRP  19  -4.125  -8.663 -12.960
  125    HE3  TRP  19           HE3      TRP  19   1.104  -9.342 -12.082
  126    HZ2  TRP  19           HZ2      TRP  19  -3.381 -11.383 -12.843
  127    HZ3  TRP  19           HZ3      TRP  19   0.808 -11.784 -12.139
  128    HH2  TRP  19           HH2      TRP  19  -1.389 -12.782 -12.511
  129    H    LEU  20           H        LEU  20   0.962  -4.426 -12.483
  130    HA   LEU  20           HA       LEU  20   3.182  -3.528 -10.775
  131    HB2  LEU  20           HB2      LEU  20   4.370  -3.148 -13.060
  132    HB3  LEU  20           HB3      LEU  20   4.389  -4.738 -12.301
  133    HG   LEU  20           HG       LEU  20   2.570  -5.451 -13.805
  134   HD11  LEU  20          1HD1      LEU  20   2.430  -3.790 -15.877
  135   HD12  LEU  20          2HD1      LEU  20   2.716  -2.603 -14.605
  136   HD13  LEU  20          3HD1      LEU  20   1.329  -3.687 -14.504
  137   HD21  LEU  20          3HD2      LEU  20   4.802  -4.301 -15.452
  138   HD22  LEU  20          1HD2      LEU  20   3.933  -5.820 -15.673
  139   HD23  LEU  20          2HD2      LEU  20   5.064  -5.639 -14.331
  140    H    CYS  21           H        CYS  21   3.981  -1.363 -11.313
  141    HA   CYS  21           HA       CYS  21   1.760   0.395 -11.964
  142    HB2  CYS  21           HB2      CYS  21   4.333   0.647 -10.531
  143    HB3  CYS  21           HB3      CYS  21   3.812   2.079 -11.412
  144    H    THR  22           H        THR  22   1.483   1.327 -13.876
  145    HA   THR  22           HA       THR  22   3.775   1.938 -15.566
  146    HB   THR  22           HB       THR  22   1.492   0.207 -16.536
  147    HG1  THR  22           HG1      THR  22   4.110  -0.289 -15.722
  148   HG21  THR  22          3HG2      THR  22   2.372   1.958 -18.149
  149   HG22  THR  22          1HG2      THR  22   2.455   0.285 -18.699
  150   HG23  THR  22          2HG2      THR  22   3.907   1.091 -18.104
  151    HA   PRO  23           HA       PRO  23   4.249   2.899 -17.401
  152    HB2  PRO  23           HB2      PRO  23   5.170   5.447 -17.570
  153    HB3  PRO  23           HB3      PRO  23   4.153   4.708 -18.813
  154    HG2  PRO  23           2HG      PRO  23   3.386   6.566 -16.594
  155    HG3  PRO  23           3HG      PRO  23   2.865   6.572 -18.289
  156    HD2  PRO  23           2HD      PRO  23   1.333   5.561 -16.299
  157    HD3  PRO  23           3HD      PRO  23   1.309   4.906 -17.949
  158    HA   PRO  24           HA       PRO  24   6.719   3.118 -13.770
  159    HB2  PRO  24           HB2      PRO  24   9.202   3.599 -14.756
  160    HB3  PRO  24           HB3      PRO  24   8.381   2.044 -14.937
  161    HG2  PRO  24           2HG      PRO  24   8.636   4.292 -16.898
  162    HG3  PRO  24           3HG      PRO  24   8.796   2.547 -17.169
  163    HD2  PRO  24           2HD      PRO  24   6.543   3.917 -17.786
  164    HD3  PRO  24           3HD      PRO  24   6.515   2.224 -17.253
  165    H    ILE  25           H        ILE  25   6.303   5.854 -15.721
  166    HA   ILE  25           HA       ILE  25   7.586   7.574 -13.700
  167    HB   ILE  25           HB       ILE  25   7.560   9.330 -15.544
  168   HG12  ILE  25          2HG1      ILE  25   7.573   7.075 -17.495
  169   HG13  ILE  25          3HG1      ILE  25   6.014   7.656 -16.921
  170   HG21  ILE  25          1HG2      ILE  25   9.516   7.854 -14.708
  171   HG22  ILE  25          2HG2      ILE  25   9.338   7.034 -16.259
  172   HG23  ILE  25          3HG2      ILE  25   9.705   8.758 -16.210
  173   HD11  ILE  25          3HD1      ILE  25   7.887   9.740 -17.801
  174   HD12  ILE  25          1HD1      ILE  25   7.310   8.647 -19.059
  175   HD13  ILE  25          2HD1      ILE  25   6.156   9.564 -18.090
  176    H    ILE  26           H        ILE  26   5.672   7.526 -12.414
  177    HA   ILE  26           HA       ILE  26   3.714   8.381 -11.632
  178    HB   ILE  26           HB       ILE  26   4.069  10.395 -13.856
  179   HG12  ILE  26          2HG1      ILE  26   4.760  11.763 -11.694
  180   HG13  ILE  26          3HG1      ILE  26   5.156  10.160 -11.084
  181   HG21  ILE  26          1HG2      ILE  26   2.047  10.053 -11.752
  182   HG22  ILE  26          2HG2      ILE  26   2.714  11.679 -11.896
  183   HG23  ILE  26          3HG2      ILE  26   1.954  10.911 -13.290
  184   HD11  ILE  26          3HD1      ILE  26   6.833   9.843 -12.645
  185   HD12  ILE  26          1HD1      ILE  26   6.194  11.078 -13.730
  186   HD13  ILE  26          2HD1      ILE  26   6.989  11.550 -12.228
  187    H    GLY  27           H        GLY  27   2.168   6.886 -11.978
  188    HA2  GLY  27           2HA      GLY  27   0.290   7.326 -14.101
  189    HA3  GLY  27           3HA      GLY  27   1.222   5.854 -14.331
  190    H    PHE  28           H        PHE  28  -0.640   4.570 -14.127
  191    HA   PHE  28           HA       PHE  28  -1.635   4.350 -11.363
  192    HB2  PHE  28           HB2      PHE  28  -3.192   3.897 -13.918
  193    HB3  PHE  28           HB3      PHE  28  -3.803   3.606 -12.293
  194    HD1  PHE  28           HD2      PHE  28  -3.913   5.591 -10.697
  195    HD2  PHE  28           HD1      PHE  28  -3.388   5.993 -14.901
  196    HE1  PHE  28           HE2      PHE  28  -4.678   7.926 -10.566
  197    HE2  PHE  28           HE1      PHE  28  -4.151   8.329 -14.777
  198    HZ   PHE  28           HZ       PHE  28  -4.799   9.298 -12.608
  199    H    CYS  29           H        CYS  29  -1.684   2.351 -10.468
  200    HA   CYS  29           HA       CYS  29  -0.213   0.267 -11.786
  201    HB2  CYS  29           HB2      CYS  29  -0.315   0.910  -9.240
  202    HB3  CYS  29           HB3      CYS  29  -1.707  -0.168  -9.228
  203    H    LEU  30           H        LEU  30  -0.977  -1.433 -12.873
  204    HA   LEU  30           HA       LEU  30  -3.712  -2.338 -12.464
  205    HB2  LEU  30           HB2      LEU  30  -2.662  -1.334 -15.100
  206    HB3  LEU  30           HB3      LEU  30  -4.093  -2.351 -14.950
  207    HG   LEU  30           HG       LEU  30  -4.734  -0.335 -13.260
  208   HD11  LEU  30          1HD1      LEU  30  -4.107   1.626 -15.044
  209   HD12  LEU  30          2HD1      LEU  30  -2.632   0.660 -15.034
  210   HD13  LEU  30          3HD1      LEU  30  -3.259   1.326 -13.527
  211   HD21  LEU  30          3HD2      LEU  30  -5.939  -1.382 -15.274
  212   HD22  LEU  30          1HD2      LEU  30  -5.225  -0.065 -16.205
  213   HD23  LEU  30          2HD2      LEU  30  -6.308   0.292 -14.859
  Start of MODEL    3
    1    H1   CYS   1           H        CYS   1   1.836   0.464   0.767
    2    HA   CYS   1           HA       CYS   1   2.947   0.744  -1.215
    3    HB2  CYS   1           HB2      CYS   1   3.242  -1.453  -2.465
    4    HB3  CYS   1           HB3      CYS   1   3.709  -1.456  -0.768
    5    H    ILE   2           H        ILE   2   1.034   2.150  -1.838
    6    HA   ILE   2           HA       ILE   2  -0.326   2.947  -3.479
    7    HB   ILE   2           HB       ILE   2   0.715   0.637  -5.123
    8   HG12  ILE   2          2HG1      ILE   2   2.526   2.065  -4.242
    9   HG13  ILE   2          3HG1      ILE   2   2.366   2.215  -5.988
   10   HG21  ILE   2          1HG2      ILE   2  -1.187   1.483  -6.211
   11   HG22  ILE   2          2HG2      ILE   2  -0.773   3.151  -5.817
   12   HG23  ILE   2          3HG2      ILE   2   0.179   2.265  -7.007
   13   HD11  ILE   2          3HD1      ILE   2   0.729   4.199  -4.859
   14   HD12  ILE   2          1HD1      ILE   2   2.262   4.240  -3.988
   15   HD13  ILE   2          2HD1      ILE   2   2.241   4.404  -5.744
   16    H    ALA   3           H        ALA   3  -2.412   2.751  -2.991
   17    HA   ALA   3           HA       ALA   3  -3.751   0.366  -2.400
   18    HB1  ALA   3           1HB      ALA   3  -5.163   1.900  -1.637
   19    HB2  ALA   3           HB2      ALA   3  -4.415   3.157  -2.623
   20    HB3  ALA   3           HB3      ALA   3  -5.699   2.154  -3.299
   21    H    HIS   4           H        HIS   4  -5.566  -0.597  -3.585
   22    HA   HIS   4           HA       HIS   4  -4.867  -1.582  -6.061
   23    HB2  HIS   4           HB2      HIS   4  -7.299  -1.555  -4.418
   24    HB3  HIS   4           HB3      HIS   4  -7.609  -1.725  -6.143
   25    HD1  HIS   4           HD1      HIS   4  -5.487  -3.373  -3.453
   26    HD2  HIS   4           HD2      HIS   4  -7.365  -4.268  -7.049
   27    HE1  HIS   4           HE1      HIS   4  -5.187  -5.850  -3.770
   28    H    TYR   5           H        TYR   5  -4.701  -0.675  -7.992
   29    HA   TYR   5           HA       TYR   5  -4.986   0.719  -9.766
   30    HB2  TYR   5           HB2      TYR   5  -7.722   1.410  -8.731
   31    HB3  TYR   5           HB3      TYR   5  -7.177   1.277 -10.399
   32    HD1  TYR   5           HD1      TYR   5  -5.810  -1.364 -10.302
   33    HD2  TYR   5           HD2      TYR   5  -9.511  -0.094  -8.631
   34    HE1  TYR   5           HE1      TYR   5  -6.637  -3.679 -10.390
   35    HE2  TYR   5           HE2      TYR   5 -10.348  -2.406  -8.713
   36    HH   TYR   5           HH       TYR   5  -9.354  -4.724  -8.743
   37    H    GLY   6           H        GLY   6  -3.809   1.764  -7.376
   38    HA2  GLY   6           2HA      GLY   6  -4.812   4.515  -7.234
   39    HA3  GLY   6           3HA      GLY   6  -3.648   3.783  -6.140
   40    H    LYS   7           H        LYS   7  -3.161   6.270  -7.142
   41    HA   LYS   7           HA       LYS   7  -1.613   6.247  -9.527
   42    HB2  LYS   7           HB2      LYS   7  -2.653   8.194  -7.835
   43    HB3  LYS   7           HB3      LYS   7  -0.911   8.360  -7.651
   44    HG2  LYS   7           2HG      LYS   7  -1.775   8.092 -10.426
   45    HG3  LYS   7           3HG      LYS   7  -2.418   9.518  -9.608
   46    HD2  LYS   7           2HD      LYS   7   0.498   8.747  -9.663
   47    HD3  LYS   7           3HD      LYS   7  -0.248   9.916 -10.756
   48    HE2  LYS   7           2HE      LYS   7  -1.050  11.046  -8.550
   49    HE3  LYS   7           3HE      LYS   7   0.253  10.115  -7.814
   50    HZ1  LYS   7           3HZ      LYS   7   0.387  12.431  -9.536
   51    HZ2  LYS   7           1HZ      LYS   7   1.482  11.204  -9.934
   52    HZ3  LYS   7           2HZ      LYS   7   1.491  11.874  -8.381
   53    H    CYS   8           H        CYS   8   0.659   6.483  -9.747
   54    HA   CYS   8           HA       CYS   8   2.190   5.411  -7.467
   55    HB2  CYS   8           HB2      CYS   8   1.893   4.358 -10.075
   56    HB3  CYS   8           HB3      CYS   8   3.535   4.983  -9.970
   57    H    ASP   9           H        ASP   9   4.296   6.202  -7.136
   58    HA   ASP   9           HA       ASP   9   4.625   8.966  -7.792
   59    HB2  ASP   9           HB2      ASP   9   6.286   6.968  -6.271
   60    HB3  ASP   9           HB3      ASP   9   6.881   8.592  -6.604
   61    H    GLY  10           H        GLY  10   5.851   5.953  -9.036
   62    HA2  GLY  10           2HA      GLY  10   6.598   5.951 -11.357
   63    HA3  GLY  10           3HA      GLY  10   7.388   7.487 -11.037
   64    H    ILE  11           H        ILE  11   9.089   7.377  -9.251
   65    HA   ILE  11           HA       ILE  11  11.119   5.624 -10.034
   66    HB   ILE  11           HB       ILE  11  11.034   7.852  -8.473
   67   HG12  ILE  11          2HG1      ILE  11  12.955   7.141  -9.770
   68   HG13  ILE  11          3HG1      ILE  11  13.464   7.454  -8.114
   69   HG21  ILE  11          1HG2      ILE  11  11.827   5.630  -6.603
   70   HG22  ILE  11          2HG2      ILE  11  11.714   7.353  -6.248
   71   HG23  ILE  11          3HG2      ILE  11  10.251   6.421  -6.566
   72   HD11  ILE  11          3HD1      ILE  11  12.958   4.759  -9.350
   73   HD12  ILE  11          1HD1      ILE  11  14.526   5.462  -8.953
   74   HD13  ILE  11          2HD1      ILE  11  13.396   5.040  -7.666
   75    H    ILE  12           H        ILE  12   8.553   5.241  -7.742
   76    HA   ILE  12           HA       ILE  12   9.791   2.850  -6.596
   77    HB   ILE  12           HB       ILE  12   7.213   4.234  -5.846
   78   HG12  ILE  12          2HG1      ILE  12   9.227   4.249  -3.804
   79   HG13  ILE  12          3HG1      ILE  12   9.909   4.904  -5.288
   80   HG21  ILE  12          1HG2      ILE  12   7.038   1.927  -5.280
   81   HG22  ILE  12          2HG2      ILE  12   8.672   1.905  -4.619
   82   HG23  ILE  12          3HG2      ILE  12   7.400   2.806  -3.794
   83   HD11  ILE  12          3HD1      ILE  12   8.859   6.821  -4.973
   84   HD12  ILE  12          1HD1      ILE  12   7.303   6.002  -4.846
   85   HD13  ILE  12          2HD1      ILE  12   8.308   6.215  -3.412
   86    H    ASN  13           H        ASN  13   9.609   1.285  -8.148
   87    HA   ASN  13           HA       ASN  13   7.051   0.816  -9.445
   88    HB2  ASN  13           HB2      ASN  13   9.724  -0.576  -9.712
   89    HB3  ASN  13           HB3      ASN  13   8.291  -0.983 -10.651
   90   HD21  ASN  13          1HD2      ASN  13  10.409   1.731  -9.844
   91   HD22  ASN  13          2HD2      ASN  13  10.297   2.503 -11.385
   92    H    GLN  14           H        GLN  14   7.972   0.223  -6.482
   93    HA   GLN  14           HA       GLN  14   7.473  -2.605  -6.258
   94    HB2  GLN  14           HB2      GLN  14   7.879  -0.395  -4.254
   95    HB3  GLN  14           HB3      GLN  14   7.437  -2.024  -3.760
   96    HG2  GLN  14           2HG      GLN  14   9.698  -2.153  -3.574
   97    HG3  GLN  14           3HG      GLN  14   9.501  -2.684  -5.243
   98   HE21  GLN  14          1HE2      GLN  14  10.505  -1.593  -6.806
   99   HE22  GLN  14          2HE2      GLN  14  11.358  -0.106  -6.592
  100    H    CYS  15           H        CYS  15   5.371  -2.316  -7.470
  101    HA   CYS  15           HA       CYS  15   3.190  -1.425  -5.722
  102    HB2  CYS  15           HB2      CYS  15   3.351  -0.563  -8.087
  103    HB3  CYS  15           HB3      CYS  15   3.019  -2.202  -8.637
  104    H    CYS  16           H        CYS  16   2.588  -3.023  -4.392
  105    HA   CYS  16           HA       CYS  16   2.858  -5.754  -4.794
  106    HB2  CYS  16           HB2      CYS  16   0.688  -4.405  -3.175
  107    HB3  CYS  16           HB3      CYS  16   1.292  -6.045  -2.962
  108    H    ASP  17           H        ASP  17  -0.229  -3.971  -4.968
  109    HA   ASP  17           HA       ASP  17  -1.046  -5.773  -7.146
  110    HB2  ASP  17           HB2      ASP  17  -2.280  -5.409  -4.526
  111    HB3  ASP  17           HB3      ASP  17  -3.409  -5.132  -5.849
  112    HA   PRO  18           HA       PRO  18  -3.450  -5.903  -7.861
  113    HB2  PRO  18           HB2      PRO  18  -3.990  -5.790 -10.519
  114    HB3  PRO  18           HB3      PRO  18  -5.048  -5.083  -9.293
  115    HG2  PRO  18           2HG      PRO  18  -3.001  -3.751 -11.025
  116    HG3  PRO  18           3HG      PRO  18  -4.635  -3.206 -10.604
  117    HD2  PRO  18           2HD      PRO  18  -2.418  -2.241  -9.385
  118    HD3  PRO  18           3HD      PRO  18  -3.974  -2.406  -8.546
  119    H    TRP  19           H        TRP  19  -1.358  -4.557 -10.423
  120    HA   TRP  19           HA       TRP  19   0.222  -7.039 -10.306
  121    HB2  TRP  19           HB2      TRP  19  -0.630  -5.500 -12.764
  122    HB3  TRP  19           HB3      TRP  19   0.612  -6.749 -12.776
  123    HD1  TRP  19           HD1      TRP  19  -3.139  -6.270 -12.729
  124    HE1  TRP  19           HE1      TRP  19  -4.290  -8.562 -12.943
  125    HE3  TRP  19           HE3      TRP  19   0.945  -9.288 -12.134
  126    HZ2  TRP  19           HZ2      TRP  19  -3.563 -11.289 -12.868
  127    HZ3  TRP  19           HZ3      TRP  19   0.631 -11.727 -12.218
  128    HH2  TRP  19           HH2      TRP  19  -1.577 -12.705 -12.577
  129    H    LEU  20           H        LEU  20   0.838  -4.372 -12.475
  130    HA   LEU  20           HA       LEU  20   3.077  -3.504 -10.777
  131    HB2  LEU  20           HB2      LEU  20   4.236  -3.113 -13.085
  132    HB3  LEU  20           HB3      LEU  20   4.279  -4.696 -12.312
  133    HG   LEU  20           HG       LEU  20   2.538  -5.501 -13.793
  134   HD11  LEU  20          1HD1      LEU  20   1.088  -3.852 -14.358
  135   HD12  LEU  20          2HD1      LEU  20   2.108  -3.804 -15.796
  136   HD13  LEU  20          3HD1      LEU  20   2.354  -2.632 -14.502
  137   HD21  LEU  20          3HD2      LEU  20   4.845  -4.126 -15.154
  138   HD22  LEU  20          1HD2      LEU  20   3.763  -5.254 -15.972
  139   HD23  LEU  20          2HD2      LEU  20   4.747  -5.804 -14.615
  140    H    CYS  21           H        CYS  21   3.891  -1.343 -11.309
  141    HA   CYS  21           HA       CYS  21   1.681   0.441 -11.918
  142    HB2  CYS  21           HB2      CYS  21   4.279   0.654 -10.528
  143    HB3  CYS  21           HB3      CYS  21   3.775   2.094 -11.406
  144    H    THR  22           H        THR  22   1.375   1.387 -13.818
  145    HA   THR  22           HA       THR  22   3.633   1.990 -15.552
  146    HB   THR  22           HB       THR  22   1.336   0.255 -16.480
  147    HG1  THR  22           HG1      THR  22   3.002  -0.871 -15.355
  148   HG21  THR  22          3HG2      THR  22   3.714   1.144 -18.098
  149   HG22  THR  22          1HG2      THR  22   2.182   2.016 -18.107
  150   HG23  THR  22          2HG2      THR  22   2.248   0.343 -18.662
  151    HA   PRO  23           HA       PRO  23   4.069   2.946 -17.402
  152    HB2  PRO  23           HB2      PRO  23   4.989   5.493 -17.594
  153    HB3  PRO  23           HB3      PRO  23   3.945   4.754 -18.814
  154    HG2  PRO  23           2HG      PRO  23   3.226   6.615 -16.583
  155    HG3  PRO  23           3HG      PRO  23   2.669   6.619 -18.266
  156    HD2  PRO  23           2HD      PRO  23   1.179   5.611 -16.242
  157    HD3  PRO  23           3HD      PRO  23   1.120   4.955 -17.891
  158    HA   PRO  24           HA       PRO  24   6.608   3.164 -13.818
  159    HB2  PRO  24           HB2      PRO  24   9.075   3.618 -14.858
  160    HB3  PRO  24           HB3      PRO  24   8.237   2.069 -15.012
  161    HG2  PRO  24           2HG      PRO  24   8.471   4.301 -16.993
  162    HG3  PRO  24           3HG      PRO  24   8.611   2.553 -17.255
  163    HD2  PRO  24           2HD      PRO  24   6.357   3.938 -17.835
  164    HD3  PRO  24           3HD      PRO  24   6.326   2.249 -17.290
  165    H    ILE  25           H        ILE  25   6.208   5.890 -15.801
  166    HA   ILE  25           HA       ILE  25   7.571   7.614 -13.838
  167    HB   ILE  25           HB       ILE  25   7.425   9.367 -15.683
  168   HG12  ILE  25          2HG1      ILE  25   7.282   7.062 -17.587
  169   HG13  ILE  25          3HG1      ILE  25   5.786   7.750 -16.964
  170   HG21  ILE  25          1HG2      ILE  25   9.380   7.660 -14.996
  171   HG22  ILE  25          2HG2      ILE  25   9.182   7.222 -16.692
  172   HG23  ILE  25          3HG2      ILE  25   9.559   8.887 -16.250
  173   HD11  ILE  25          3HD1      ILE  25   5.939   9.537 -18.279
  174   HD12  ILE  25          1HD1      ILE  25   7.656   9.755 -17.941
  175   HD13  ILE  25          2HD1      ILE  25   7.138   8.605 -19.175
  176    H    ILE  26           H        ILE  26   5.674   7.452 -12.472
  177    HA   ILE  26           HA       ILE  26   3.759   8.293 -11.574
  178    HB   ILE  26           HB       ILE  26   4.048  10.419 -13.701
  179   HG12  ILE  26          2HG1      ILE  26   4.868  11.658 -11.505
  180   HG13  ILE  26          3HG1      ILE  26   5.271  10.020 -11.005
  181   HG21  ILE  26          1HG2      ILE  26   1.999  10.991 -13.003
  182   HG22  ILE  26          2HG2      ILE  26   2.098   9.965 -11.572
  183   HG23  ILE  26          3HG2      ILE  26   2.817  11.575 -11.554
  184   HD11  ILE  26          3HD1      ILE  26   7.058  11.459 -12.170
  185   HD12  ILE  26          1HD1      ILE  26   6.868   9.775 -12.657
  186   HD13  ILE  26          2HD1      ILE  26   6.184  11.063 -13.650
  187    H    GLY  27           H        GLY  27   2.160   6.864 -11.929
  188    HA2  GLY  27           2HA      GLY  27   0.246   7.427 -13.996
  189    HA3  GLY  27           3HA      GLY  27   1.122   5.930 -14.276
  190    H    PHE  28           H        PHE  28  -0.637   4.586 -14.013
  191    HA   PHE  28           HA       PHE  28  -1.645   4.393 -11.254
  192    HB2  PHE  28           HB2      PHE  28  -3.248   3.959 -13.784
  193    HB3  PHE  28           HB3      PHE  28  -3.838   3.710 -12.144
  194    HD1  PHE  28           HD1      PHE  28  -3.861   5.728 -10.580
  195    HD2  PHE  28           HD2      PHE  28  -3.428   6.037 -14.803
  196    HE1  PHE  28           HE1      PHE  28  -4.570   8.082 -10.477
  197    HE2  PHE  28           HE2      PHE  28  -4.136   8.392 -14.707
  198    HZ   PHE  28           HZ       PHE  28  -4.707   9.417 -12.542
  199    H    CYS  29           H        CYS  29  -1.712   2.388 -10.376
  200    HA   CYS  29           HA       CYS  29  -0.287   0.295 -11.730
  201    HB2  CYS  29           HB2      CYS  29  -0.337   0.912  -9.181
  202    HB3  CYS  29           HB3      CYS  29  -1.757  -0.129  -9.154
  203    H    LEU  30           H        LEU  30  -1.089  -1.381 -12.827
  204    HA   LEU  30           HA       LEU  30  -3.831  -2.253 -12.390
  205    HB2  LEU  30           HB2      LEU  30  -4.591  -1.940 -14.562
  206    HB3  LEU  30           HB3      LEU  30  -3.743  -0.441 -14.192
  207    HG   LEU  30           HG       LEU  30  -2.585  -2.704 -15.817
  208   HD11  LEU  30          1HD1      LEU  30  -4.538  -1.607 -16.892
  209   HD12  LEU  30          2HD1      LEU  30  -3.023  -1.382 -17.766
  210   HD13  LEU  30          3HD1      LEU  30  -3.679  -0.070 -16.787
  211   HD21  LEU  30          3HD2      LEU  30  -0.954  -0.926 -16.472
  212   HD22  LEU  30          1HD2      LEU  30  -0.854  -1.424 -14.783
  213   HD23  LEU  30          2HD2      LEU  30  -1.644   0.094 -15.209
  Start of MODEL    4
    1    H1   CYS   1           H        CYS   1   1.570  -0.742   0.718
    2    HA   CYS   1           HA       CYS   1   2.857   0.724  -1.140
    3    HB2  CYS   1           HB2      CYS   1   3.197  -1.457  -2.422
    4    HB3  CYS   1           HB3      CYS   1   3.666  -1.458  -0.725
    5    H    ILE   2           H        ILE   2   0.965   2.116  -1.799
    6    HA   ILE   2           HA       ILE   2  -0.375   2.913  -3.456
    7    HB   ILE   2           HB       ILE   2   0.698   0.604  -5.080
    8   HG12  ILE   2          2HG1      ILE   2   2.497   2.033  -4.220
    9   HG13  ILE   2          3HG1      ILE   2   2.314   2.233  -5.959
   10   HG21  ILE   2          1HG2      ILE   2   0.153   2.189  -6.986
   11   HG22  ILE   2          2HG2      ILE   2  -1.215   1.425  -6.178
   12   HG23  ILE   2          3HG2      ILE   2  -0.802   3.101  -5.817
   13   HD11  ILE   2          3HD1      ILE   2   2.309   4.413  -5.554
   14   HD12  ILE   2          1HD1      ILE   2   0.678   4.185  -4.924
   15   HD13  ILE   2          2HD1      ILE   2   2.058   4.174  -3.825
   16    H    ALA   3           H        ALA   3  -2.470   2.723  -3.014
   17    HA   ALA   3           HA       ALA   3  -3.820   0.346  -2.419
   18    HB1  ALA   3           1HB      ALA   3  -5.786   1.618  -2.345
   19    HB2  ALA   3           HB2      ALA   3  -4.507   2.749  -1.900
   20    HB3  ALA   3           HB3      ALA   3  -5.185   2.779  -3.528
   21    H    HIS   4           H        HIS   4  -5.613  -0.633  -3.625
   22    HA   HIS   4           HA       HIS   4  -4.869  -1.653  -6.073
   23    HB2  HIS   4           HB2      HIS   4  -7.381  -1.545  -4.522
   24    HB3  HIS   4           HB3      HIS   4  -7.573  -1.854  -6.245
   25    HD1  HIS   4           HD1      HIS   4  -5.504  -3.238  -3.363
   26    HD2  HIS   4           HD2      HIS   4  -7.356  -4.473  -6.871
   27    HE1  HIS   4           HE1      HIS   4  -5.186  -5.731  -3.449
   28    H    TYR   5           H        TYR   5  -4.662  -0.773  -8.013
   29    HA   TYR   5           HA       TYR   5  -4.909   0.595  -9.812
   30    HB2  TYR   5           HB2      TYR   5  -7.662   1.307  -8.836
   31    HB3  TYR   5           HB3      TYR   5  -7.087   1.155 -10.493
   32    HD1  TYR   5           HD1      TYR   5  -5.725  -1.490 -10.331
   33    HD2  TYR   5           HD2      TYR   5  -9.461  -0.190  -8.765
   34    HE1  TYR   5           HE1      TYR   5  -6.556  -3.803 -10.410
   35    HE2  TYR   5           HE2      TYR   5 -10.302  -2.500  -8.838
   36    HH   TYR   5           HH       TYR   5  -8.405  -5.140  -9.107
   37    H    GLY   6           H        GLY   6  -3.769   1.670  -7.421
   38    HA2  GLY   6           2HA      GLY   6  -4.770   4.422  -7.319
   39    HA3  GLY   6           3HA      GLY   6  -3.607   3.704  -6.215
   40    H    LYS   7           H        LYS   7  -3.161   6.193  -7.285
   41    HA   LYS   7           HA       LYS   7  -1.578   6.122  -9.647
   42    HB2  LYS   7           HB2      LYS   7  -2.666   8.102  -8.014
   43    HB3  LYS   7           HB3      LYS   7  -0.928   8.307  -7.846
   44    HG2  LYS   7           2HG      LYS   7  -1.809   7.930 -10.605
   45    HG3  LYS   7           3HG      LYS   7  -2.463   9.374  -9.829
   46    HD2  LYS   7           2HD      LYS   7   0.463   8.642  -9.874
   47    HD3  LYS   7           3HD      LYS   7  -0.304   9.749 -11.016
   48    HE2  LYS   7           2HE      LYS   7  -1.113  10.973  -8.867
   49    HE3  LYS   7           3HE      LYS   7   0.196  10.088  -8.086
   50    HZ1  LYS   7           3HZ      LYS   7   1.105  12.132  -8.736
   51    HZ2  LYS   7           1HZ      LYS   7   0.389  12.077 -10.268
   52    HZ3  LYS   7           2HZ      LYS   7   1.663  11.030  -9.891
   53    H    CYS   8           H        CYS   8   0.692   6.391  -9.843
   54    HA   CYS   8           HA       CYS   8   2.208   5.414  -7.511
   55    HB2  CYS   8           HB2      CYS   8   1.996   4.332 -10.141
   56    HB3  CYS   8           HB3      CYS   8   3.642   4.920  -9.926
   57    H    ASP   9           H        ASP   9   4.304   6.245  -7.184
   58    HA   ASP   9           HA       ASP   9   4.589   9.000  -7.888
   59    HB2  ASP   9           HB2      ASP   9   5.313   8.051  -5.701
   60    HB3  ASP   9           HB3      ASP   9   6.596   7.182  -6.539
   61    H    GLY  10           H        GLY  10   5.895   5.988  -9.067
   62    HA2  GLY  10           2HA      GLY  10   6.619   5.998 -11.412
   63    HA3  GLY  10           3HA      GLY  10   7.428   7.521 -11.075
   64    H    ILE  11           H        ILE  11   9.120   7.378  -9.289
   65    HA   ILE  11           HA       ILE  11  11.123   5.589 -10.070
   66    HB   ILE  11           HB       ILE  11  11.082   7.827  -8.528
   67   HG12  ILE  11          2HG1      ILE  11  12.993   7.061  -9.809
   68   HG13  ILE  11          3HG1      ILE  11  13.501   7.381  -8.155
   69   HG21  ILE  11          1HG2      ILE  11  10.260   6.435  -6.611
   70   HG22  ILE  11          2HG2      ILE  11  11.815   5.605  -6.634
   71   HG23  ILE  11          3HG2      ILE  11  11.744   7.334  -6.295
   72   HD11  ILE  11          3HD1      ILE  11  12.952   4.687  -9.374
   73   HD12  ILE  11          1HD1      ILE  11  14.527   5.361  -8.956
   74   HD13  ILE  11          2HD1      ILE  11  13.369   4.969  -7.684
   75    H    ILE  12           H        ILE  12   8.561   5.272  -7.758
   76    HA   ILE  12           HA       ILE  12   9.756   2.872  -6.593
   77    HB   ILE  12           HB       ILE  12   7.159   4.241  -5.883
   78   HG12  ILE  12          2HG1      ILE  12   9.099   4.428  -3.816
   79   HG13  ILE  12          3HG1      ILE  12   9.873   4.949  -5.310
   80   HG21  ILE  12          1HG2      ILE  12   8.618   1.877  -4.790
   81   HG22  ILE  12          2HG2      ILE  12   7.645   2.879  -3.714
   82   HG23  ILE  12          3HG2      ILE  12   6.895   2.089  -5.100
   83   HD11  ILE  12          3HD1      ILE  12   8.718   6.852  -5.373
   84   HD12  ILE  12          1HD1      ILE  12   7.207   6.065  -4.916
   85   HD13  ILE  12          2HD1      ILE  12   8.374   6.524  -3.675
   86    H    ASN  13           H        ASN  13   9.581   1.317  -8.167
   87    HA   ASN  13           HA       ASN  13   7.014   0.843  -9.448
   88    HB2  ASN  13           HB2      ASN  13   9.710  -0.493  -9.757
   89    HB3  ASN  13           HB3      ASN  13   8.271  -0.961 -10.659
   90   HD21  ASN  13          1HD2      ASN  13  10.313   1.834  -9.933
   91   HD22  ASN  13          2HD2      ASN  13  10.141   2.581 -11.481
   92    H    GLN  14           H        GLN  14   7.970   0.235  -6.500
   93    HA   GLN  14           HA       GLN  14   7.494  -2.598  -6.293
   94    HB2  GLN  14           HB2      GLN  14   7.931  -0.397  -4.289
   95    HB3  GLN  14           HB3      GLN  14   7.467  -2.016  -3.784
   96    HG2  GLN  14           2HG      GLN  14   9.712  -2.232  -3.628
   97    HG3  GLN  14           3HG      GLN  14   9.517  -2.680  -5.322
   98   HE21  GLN  14          1HE2      GLN  14  10.550  -1.534  -6.826
   99   HE22  GLN  14          2HE2      GLN  14  11.428  -0.074  -6.536
  100    H    CYS  15           H        CYS  15   5.376  -2.321  -7.475
  101    HA   CYS  15           HA       CYS  15   3.209  -1.450  -5.699
  102    HB2  CYS  15           HB2      CYS  15   3.298  -0.554  -8.032
  103    HB3  CYS  15           HB3      CYS  15   3.058  -2.194  -8.626
  104    H    CYS  16           H        CYS  16   2.622  -3.053  -4.369
  105    HA   CYS  16           HA       CYS  16   2.915  -5.779  -4.761
  106    HB2  CYS  16           HB2      CYS  16   0.720  -4.448  -3.163
  107    HB3  CYS  16           HB3      CYS  16   1.340  -6.080  -2.940
  108    H    ASP  17           H        ASP  17  -0.192  -4.034  -4.961
  109    HA   ASP  17           HA       ASP  17  -0.968  -5.838  -7.151
  110    HB2  ASP  17           HB2      ASP  17  -2.314  -5.388  -4.554
  111    HB3  ASP  17           HB3      ASP  17  -3.362  -5.405  -5.970
  112    HA   PRO  18           HA       PRO  18  -3.366  -6.016  -7.874
  113    HB2  PRO  18           HB2      PRO  18  -3.904  -5.883 -10.531
  114    HB3  PRO  18           HB3      PRO  18  -4.981  -5.216  -9.299
  115    HG2  PRO  18           2HG      PRO  18  -2.962  -3.816 -11.010
  116    HG3  PRO  18           3HG      PRO  18  -4.610  -3.315 -10.586
  117    HD2  PRO  18           2HD      PRO  18  -2.418  -2.312  -9.351
  118    HD3  PRO  18           3HD      PRO  18  -3.971  -2.524  -8.517
  119    H    TRP  19           H        TRP  19  -1.309  -4.594 -10.422
  120    HA   TRP  19           HA       TRP  19   0.332  -7.038 -10.328
  121    HB2  TRP  19           HB2      TRP  19  -0.557  -5.493 -12.769
  122    HB3  TRP  19           HB3      TRP  19   0.718  -6.708 -12.795
  123    HD1  TRP  19           HD1      TRP  19  -3.044  -6.331 -12.748
  124    HE1  TRP  19           HE1      TRP  19  -4.133  -8.651 -12.988
  125    HE3  TRP  19           HE3      TRP  19   1.118  -9.245 -12.179
  126    HZ2  TRP  19           HZ2      TRP  19  -3.334 -11.358 -12.941
  127    HZ3  TRP  19           HZ3      TRP  19   0.870 -11.690 -12.289
  128    HH2  TRP  19           HH2      TRP  19  -1.311 -12.723 -12.662
  129    H    LEU  20           H        LEU  20   0.896  -4.345 -12.476
  130    HA   LEU  20           HA       LEU  20   3.104  -3.432 -10.761
  131    HB2  LEU  20           HB2      LEU  20   4.292  -3.013 -13.032
  132    HB3  LEU  20           HB3      LEU  20   4.319  -4.618 -12.304
  133    HG   LEU  20           HG       LEU  20   2.454  -5.266 -13.825
  134   HD11  LEU  20          1HD1      LEU  20   1.357  -3.366 -14.494
  135   HD12  LEU  20          2HD1      LEU  20   2.373  -3.677 -15.901
  136   HD13  LEU  20          3HD1      LEU  20   2.848  -2.452 -14.725
  137   HD21  LEU  20          3HD2      LEU  20   5.161  -4.463 -14.768
  138   HD22  LEU  20          1HD2      LEU  20   3.983  -5.029 -15.951
  139   HD23  LEU  20          2HD2      LEU  20   4.451  -6.070 -14.606
  140    H    CYS  21           H        CYS  21   3.870  -1.250 -11.278
  141    HA   CYS  21           HA       CYS  21   1.620   0.473 -11.947
  142    HB2  CYS  21           HB2      CYS  21   4.146   0.761 -10.429
  143    HB3  CYS  21           HB3      CYS  21   3.596   2.198 -11.285
  144    H    THR  22           H        THR  22   1.356   1.189 -13.944
  145    HA   THR  22           HA       THR  22   3.709   1.951 -15.516
  146    HB   THR  22           HB       THR  22   1.755  -0.160 -16.215
  147    HG1  THR  22           HG1      THR  22   4.115  -0.368 -15.878
  148   HG21  THR  22          3HG2      THR  22   1.027   1.434 -17.830
  149   HG22  THR  22          1HG2      THR  22   2.107   0.319 -18.665
  150   HG23  THR  22          2HG2      THR  22   2.684   1.918 -18.193
  151    HA   PRO  23           HA       PRO  23   4.171   2.859 -17.424
  152    HB2  PRO  23           HB2      PRO  23   5.104   5.398 -17.652
  153    HB3  PRO  23           HB3      PRO  23   4.070   4.641 -18.870
  154    HG2  PRO  23           2HG      PRO  23   3.335   6.545 -16.679
  155    HG3  PRO  23           3HG      PRO  23   2.796   6.521 -18.369
  156    HD2  PRO  23           2HD      PRO  23   1.281   5.556 -16.343
  157    HD3  PRO  23           3HD      PRO  23   1.236   4.870 -17.980
  158    HA   PRO  24           HA       PRO  24   6.700   3.149 -13.839
  159    HB2  PRO  24           HB2      PRO  24   9.164   3.660 -14.859
  160    HB3  PRO  24           HB3      PRO  24   8.363   2.093 -15.020
  161    HG2  PRO  24           2HG      PRO  24   8.561   4.331 -16.998
  162    HG3  PRO  24           3HG      PRO  24   8.743   2.587 -17.261
  163    HD2  PRO  24           2HD      PRO  24   6.463   3.920 -17.857
  164    HD3  PRO  24           3HD      PRO  24   6.466   2.230 -17.313
  165    H    ILE  25           H        ILE  25   6.212   5.866 -15.796
  166    HA   ILE  25           HA       ILE  25   7.522   7.618 -13.822
  167    HB   ILE  25           HB       ILE  25   6.867   8.231 -16.706
  168   HG12  ILE  25          2HG1      ILE  25   9.593   7.997 -15.434
  169   HG13  ILE  25          3HG1      ILE  25   8.798   6.639 -16.223
  170   HG21  ILE  25          1HG2      ILE  25   8.311  10.267 -16.201
  171   HG22  ILE  25          2HG2      ILE  25   6.679  10.256 -15.535
  172   HG23  ILE  25          3HG2      ILE  25   8.056   9.883 -14.499
  173   HD11  ILE  25          3HD1      ILE  25   8.847   9.025 -17.876
  174   HD12  ILE  25          1HD1      ILE  25  10.456   8.466 -17.420
  175   HD13  ILE  25          2HD1      ILE  25   9.345   7.374 -18.246
  176    H    ILE  26           H        ILE  26   5.620   7.452 -12.483
  177    HA   ILE  26           HA       ILE  26   3.667   8.246 -11.629
  178    HB   ILE  26           HB       ILE  26   3.972  10.362 -13.762
  179   HG12  ILE  26          2HG1      ILE  26   4.668  11.640 -11.550
  180   HG13  ILE  26          3HG1      ILE  26   5.076  10.017 -11.006
  181   HG21  ILE  26          1HG2      ILE  26   1.797  10.668 -13.139
  182   HG22  ILE  26          2HG2      ILE  26   2.045   9.983 -11.533
  183   HG23  ILE  26          3HG2      ILE  26   2.599  11.619 -11.888
  184   HD11  ILE  26          3HD1      ILE  26   6.805   9.813 -12.477
  185   HD12  ILE  26          1HD1      ILE  26   6.091  10.923 -13.646
  186   HD13  ILE  26          2HD1      ILE  26   6.846  11.550 -12.180
  187    H    GLY  27           H        GLY  27   2.189   6.683 -12.054
  188    HA2  GLY  27           2HA      GLY  27   0.290   7.213 -14.173
  189    HA3  GLY  27           3HA      GLY  27   1.189   5.715 -14.367
  190    H    PHE  28           H        PHE  28  -0.560   4.360 -14.112
  191    HA   PHE  28           HA       PHE  28  -1.641   4.237 -11.379
  192    HB2  PHE  28           HB2      PHE  28  -3.194   3.815 -13.941
  193    HB3  PHE  28           HB3      PHE  28  -3.820   3.528 -12.321
  194    HD1  PHE  28           HD2      PHE  28  -3.837   5.528 -10.708
  195    HD2  PHE  28           HD1      PHE  28  -3.409   5.898 -14.926
  196    HE1  PHE  28           HE2      PHE  28  -4.558   7.876 -10.571
  197    HE2  PHE  28           HE1      PHE  28  -4.129   8.247 -14.796
  198    HZ   PHE  28           HZ       PHE  28  -4.706   9.239 -12.617
  199    H    CYS  29           H        CYS  29  -1.770   2.240 -10.477
  200    HA   CYS  29           HA       CYS  29  -0.315   0.120 -11.751
  201    HB2  CYS  29           HB2      CYS  29  -0.562   0.794  -9.188
  202    HB3  CYS  29           HB3      CYS  29  -1.888  -0.362  -9.264
  203    H    LEU  30           H        LEU  30  -1.086  -1.545 -12.882
  204    HA   LEU  30           HA       LEU  30  -3.885  -2.330 -12.588
  205    HB2  LEU  30           HB2      LEU  30  -2.598  -1.676 -15.235
  206    HB3  LEU  30           HB3      LEU  30  -4.195  -2.391 -15.024
  207    HG   LEU  30           HG       LEU  30  -3.784   0.178 -13.647
  208   HD11  LEU  30          1HD1      LEU  30  -4.219   1.387 -15.841
  209   HD12  LEU  30          2HD1      LEU  30  -3.638  -0.075 -16.636
  210   HD13  LEU  30          3HD1      LEU  30  -2.574   0.821 -15.553
  211   HD21  LEU  30          3HD2      LEU  30  -5.941  -0.904 -13.667
  212   HD22  LEU  30          1HD2      LEU  30  -5.928  -0.971 -15.430
  213   HD23  LEU  30          2HD2      LEU  30  -6.024   0.587 -14.607
  Start of MODEL    5
    1    H1   CYS   1           H        CYS   1   1.413  -0.102   1.252
    2    HA   CYS   1           HA       CYS   1   2.463  -0.001  -0.907
    3    HB2  CYS   1           HB2      CYS   1   1.743  -2.345   0.168
    4    HB3  CYS   1           HB3      CYS   1   0.805  -2.436  -1.318
    5    H    ILE   2           H        ILE   2   0.546   1.835  -1.301
    6    HA   ILE   2           HA       ILE   2  -0.671   2.850  -2.934
    7    HB   ILE   2           HB       ILE   2   0.278   0.554  -4.652
    8   HG12  ILE   2          2HG1      ILE   2   2.097   1.923  -3.669
    9   HG13  ILE   2          3HG1      ILE   2   2.006   2.082  -5.419
   10   HG21  ILE   2          1HG2      ILE   2  -1.019   3.178  -5.362
   11   HG22  ILE   2          2HG2      ILE   2  -0.201   2.136  -6.526
   12   HG23  ILE   2          3HG2      ILE   2  -1.633   1.555  -5.677
   13   HD11  ILE   2          3HD1      ILE   2   1.017   4.052  -3.373
   14   HD12  ILE   2          1HD1      ILE   2   2.410   4.231  -4.440
   15   HD13  ILE   2          2HD1      ILE   2   0.780   4.205  -5.114
   16    H    ALA   3           H        ALA   3  -2.807   2.890  -2.816
   17    HA   ALA   3           HA       ALA   3  -4.423   0.691  -2.204
   18    HB1  ALA   3           1HB      ALA   3  -5.210   3.322  -3.450
   19    HB2  ALA   3           HB2      ALA   3  -6.318   2.165  -2.713
   20    HB3  ALA   3           HB3      ALA   3  -5.102   2.973  -1.725
   21    H    HIS   4           H        HIS   4  -6.170  -0.233  -3.500
   22    HA   HIS   4           HA       HIS   4  -5.310  -1.463  -5.812
   23    HB2  HIS   4           HB2      HIS   4  -7.886  -1.128  -4.439
   24    HB3  HIS   4           HB3      HIS   4  -8.029  -1.432  -6.167
   25    HD1  HIS   4           HD1      HIS   4  -6.587  -2.990  -3.041
   26    HD2  HIS   4           HD2      HIS   4  -7.624  -4.035  -6.926
   27    HE1  HIS   4           HE1      HIS   4  -6.378  -5.494  -3.143
   28    H    TYR   5           H        TYR   5  -4.836  -0.682  -7.747
   29    HA   TYR   5           HA       TYR   5  -4.826   0.594  -9.628
   30    HB2  TYR   5           HB2      TYR   5  -7.644   1.436  -8.992
   31    HB3  TYR   5           HB3      TYR   5  -6.896   1.208 -10.569
   32    HD1  TYR   5           HD1      TYR   5  -5.630  -1.471 -10.124
   33    HD2  TYR   5           HD2      TYR   5  -9.495  -0.004  -9.117
   34    HE1  TYR   5           HE1      TYR   5  -6.517  -3.763 -10.216
   35    HE2  TYR   5           HE2      TYR   5 -10.393  -2.292  -9.206
   36    HH   TYR   5           HH       TYR   5  -9.690  -4.551  -9.099
   37    H    GLY   6           H        GLY   6  -3.907   1.765  -7.190
   38    HA2  GLY   6           2HA      GLY   6  -4.841   4.527  -7.246
   39    HA3  GLY   6           3HA      GLY   6  -3.699   3.836  -6.103
   40    H    LYS   7           H        LYS   7  -3.182   6.280  -7.183
   41    HA   LYS   7           HA       LYS   7  -1.592   6.164  -9.539
   42    HB2  LYS   7           HB2      LYS   7  -2.663   8.176  -7.958
   43    HB3  LYS   7           HB3      LYS   7  -0.929   8.340  -7.716
   44    HG2  LYS   7           2HG      LYS   7  -1.697   7.979 -10.510
   45    HG3  LYS   7           3HG      LYS   7  -2.354   9.438  -9.765
   46    HD2  LYS   7           2HD      LYS   7   0.555   8.643  -9.684
   47    HD3  LYS   7           3HD      LYS   7  -0.139   9.770 -10.853
   48    HE2  LYS   7           2HE      LYS   7  -1.008  11.011  -8.744
   49    HE3  LYS   7           3HE      LYS   7   0.234  10.088  -7.900
   50    HZ1  LYS   7           3HZ      LYS   7   1.735  11.001  -9.795
   51    HZ2  LYS   7           1HZ      LYS   7   1.366  11.980  -8.466
   52    HZ3  LYS   7           2HZ      LYS   7   0.540  12.191  -9.927
   53    H    CYS   8           H        CYS   8   0.687   6.400  -9.722
   54    HA   CYS   8           HA       CYS   8   2.169   5.391  -7.382
   55    HB2  CYS   8           HB2      CYS   8   1.964   4.333 -10.027
   56    HB3  CYS   8           HB3      CYS   8   3.621   4.874  -9.775
   57    H    ASP   9           H        ASP   9   4.359   6.108  -7.144
   58    HA   ASP   9           HA       ASP   9   4.674   8.889  -7.710
   59    HB2  ASP   9           HB2      ASP   9   6.607   6.885  -6.527
   60    HB3  ASP   9           HB3      ASP   9   6.866   8.627  -6.573
   61    H    GLY  10           H        GLY  10   5.980   5.913  -9.045
   62    HA2  GLY  10           2HA      GLY  10   6.526   6.008 -11.448
   63    HA3  GLY  10           3HA      GLY  10   7.328   7.536 -11.115
   64    H    ILE  11           H        ILE  11   9.130   7.371  -9.439
   65    HA   ILE  11           HA       ILE  11  11.114   5.652 -10.399
   66    HB   ILE  11           HB       ILE  11  11.122   7.831  -8.773
   67   HG12  ILE  11          2HG1      ILE  11  12.965   7.158 -10.196
   68   HG13  ILE  11          3HG1      ILE  11  13.568   7.426  -8.564
   69   HG21  ILE  11          1HG2      ILE  11  10.447   6.350  -6.865
   70   HG22  ILE  11          2HG2      ILE  11  12.015   5.558  -7.014
   71   HG23  ILE  11          3HG2      ILE  11  11.928   7.271  -6.605
   72   HD11  ILE  11          3HD1      ILE  11  14.582   5.461  -9.510
   73   HD12  ILE  11          1HD1      ILE  11  13.520   4.998  -8.180
   74   HD13  ILE  11          2HD1      ILE  11  12.996   4.767  -9.849
   75    H    ILE  12           H        ILE  12   8.700   5.198  -7.954
   76    HA   ILE  12           HA       ILE  12  10.005   2.771  -6.971
   77    HB   ILE  12           HB       ILE  12   7.499   4.154  -6.007
   78   HG12  ILE  12          2HG1      ILE  12   9.636   4.037  -4.095
   79   HG13  ILE  12          3HG1      ILE  12  10.238   4.745  -5.590
   80   HG21  ILE  12          1HG2      ILE  12   7.094   2.044  -5.269
   81   HG22  ILE  12          2HG2      ILE  12   8.797   1.591  -5.288
   82   HG23  ILE  12          3HG2      ILE  12   8.161   2.575  -3.970
   83   HD11  ILE  12          3HD1      ILE  12   9.500   6.559  -4.338
   84   HD12  ILE  12          1HD1      ILE  12   8.187   6.262  -5.477
   85   HD13  ILE  12          2HD1      ILE  12   8.044   5.719  -3.804
   86    H    ASN  13           H        ASN  13   9.709   1.213  -8.493
   87    HA   ASN  13           HA       ASN  13   7.080   0.805  -9.669
   88    HB2  ASN  13           HB2      ASN  13   9.720  -0.608 -10.103
   89    HB3  ASN  13           HB3      ASN  13   8.234  -0.993 -10.966
   90   HD21  ASN  13          1HD2      ASN  13  10.407   1.701 -10.240
   91   HD22  ASN  13          2HD2      ASN  13  10.218   2.493 -11.764
   92    H    GLN  14           H        GLN  14   8.148   0.150  -6.771
   93    HA   GLN  14           HA       GLN  14   7.627  -2.675  -6.566
   94    HB2  GLN  14           HB2      GLN  14   8.109  -0.517  -4.514
   95    HB3  GLN  14           HB3      GLN  14   7.771  -2.187  -4.079
   96    HG2  GLN  14           2HG      GLN  14  10.032  -2.258  -4.046
   97    HG3  GLN  14           3HG      GLN  14   9.769  -2.647  -5.745
   98   HE21  GLN  14          1HE2      GLN  14  10.488  -1.282  -7.288
   99   HE22  GLN  14          2HE2      GLN  14  11.350   0.180  -6.968
  100    H    CYS  15           H        CYS  15   5.468  -2.352  -7.657
  101    HA   CYS  15           HA       CYS  15   3.390  -1.434  -5.804
  102    HB2  CYS  15           HB2      CYS  15   3.375  -0.572  -8.140
  103    HB3  CYS  15           HB3      CYS  15   3.134  -2.218  -8.715
  104    H    CYS  16           H        CYS  16   2.806  -2.992  -4.426
  105    HA   CYS  16           HA       CYS  16   3.061  -5.725  -4.736
  106    HB2  CYS  16           HB2      CYS  16   0.978  -4.221  -3.138
  107    HB3  CYS  16           HB3      CYS  16   1.368  -5.927  -2.938
  108    H    ASP  17           H        ASP  17  -0.037  -3.969  -4.963
  109    HA   ASP  17           HA       ASP  17  -0.836  -5.812  -7.109
  110    HB2  ASP  17           HB2      ASP  17  -3.054  -4.990  -5.393
  111    HB3  ASP  17           HB3      ASP  17  -2.637  -6.588  -6.005
  112    HA   PRO  18           HA       PRO  18  -3.234  -6.026  -7.804
  113    HB2  PRO  18           HB2      PRO  18  -3.802  -5.915 -10.456
  114    HB3  PRO  18           HB3      PRO  18  -4.875  -5.256  -9.216
  115    HG2  PRO  18           2HG      PRO  18  -2.895  -3.837 -10.956
  116    HG3  PRO  18           3HG      PRO  18  -4.545  -3.357 -10.517
  117    HD2  PRO  18           2HD      PRO  18  -2.354  -2.317  -9.311
  118    HD3  PRO  18           3HD      PRO  18  -3.895  -2.546  -8.459
  119    H    TRP  19           H        TRP  19  -1.226  -4.590 -10.384
  120    HA   TRP  19           HA       TRP  19   0.449  -7.011 -10.296
  121    HB2  TRP  19           HB2      TRP  19  -0.486  -5.487 -12.733
  122    HB3  TRP  19           HB3      TRP  19   0.806  -6.684 -12.768
  123    HD1  TRP  19           HD1      TRP  19  -2.961  -6.360 -12.678
  124    HE1  TRP  19           HE1      TRP  19  -4.020  -8.696 -12.900
  125    HE3  TRP  19           HE3      TRP  19   1.249  -9.213 -12.155
  126    HZ2  TRP  19           HZ2      TRP  19  -3.181 -11.391 -12.859
  127    HZ3  TRP  19           HZ3      TRP  19   1.035 -11.662 -12.258
  128    HH2  TRP  19           HH2      TRP  19  -1.135 -12.727 -12.603
  129    H    LEU  20           H        LEU  20   0.954  -4.316 -12.457
  130    HA   LEU  20           HA       LEU  20   3.171  -3.374 -10.770
  131    HB2  LEU  20           HB2      LEU  20   4.324  -2.939 -13.056
  132    HB3  LEU  20           HB3      LEU  20   4.381  -4.543 -12.330
  133    HG   LEU  20           HG       LEU  20   2.533  -5.239 -13.828
  134   HD11  LEU  20          1HD1      LEU  20   2.712  -2.388 -14.608
  135   HD12  LEU  20          2HD1      LEU  20   1.312  -3.456 -14.518
  136   HD13  LEU  20          3HD1      LEU  20   2.416  -3.563 -15.890
  137   HD21  LEU  20          3HD2      LEU  20   3.900  -5.612 -15.690
  138   HD22  LEU  20          1HD2      LEU  20   5.028  -5.444 -14.345
  139   HD23  LEU  20          2HD2      LEU  20   4.780  -4.100 -15.460
  140    H    CYS  21           H        CYS  21   3.902  -1.182 -11.297
  141    HA   CYS  21           HA       CYS  21   1.622   0.514 -11.927
  142    HB2  CYS  21           HB2      CYS  21   4.197   0.852 -10.491
  143    HB3  CYS  21           HB3      CYS  21   3.556   2.276 -11.304
  144    H    THR  22           H        THR  22   1.309   1.261 -13.906
  145    HA   THR  22           HA       THR  22   3.620   2.026 -15.535
  146    HB   THR  22           HB       THR  22   1.651  -0.085 -16.196
  147    HG1  THR  22           HG1      THR  22   4.015  -0.301 -15.902
  148   HG21  THR  22          3HG2      THR  22   2.544   1.998 -18.183
  149   HG22  THR  22          1HG2      THR  22   0.895   1.506 -17.798
  150   HG23  THR  22          2HG2      THR  22   1.969   0.399 -18.653
  151    HA   PRO  23           HA       PRO  23   4.039   2.946 -17.444
  152    HB2  PRO  23           HB2      PRO  23   4.955   5.490 -17.680
  153    HB3  PRO  23           HB3      PRO  23   3.899   4.734 -18.879
  154    HG2  PRO  23           2HG      PRO  23   3.202   6.624 -16.665
  155    HG3  PRO  23           3HG      PRO  23   2.628   6.606 -18.343
  156    HD2  PRO  23           2HD      PRO  23   1.160   5.625 -16.291
  157    HD3  PRO  23           3HD      PRO  23   1.084   4.946 -17.929
  158    HA   PRO  24           HA       PRO  24   6.640   3.230 -13.911
  159    HB2  PRO  24           HB2      PRO  24   9.080   3.756 -14.979
  160    HB3  PRO  24           HB3      PRO  24   8.283   2.186 -15.131
  161    HG2  PRO  24           2HG      PRO  24   8.430   4.434 -17.102
  162    HG3  PRO  24           3HG      PRO  24   8.613   2.692 -17.377
  163    HD2  PRO  24           2HD      PRO  24   6.316   4.018 -17.920
  164    HD3  PRO  24           3HD      PRO  24   6.338   2.326 -17.384
  165    H    ILE  25           H        ILE  25   6.094   5.953 -15.841
  166    HA   ILE  25           HA       ILE  25   7.441   7.703 -13.889
  167    HB   ILE  25           HB       ILE  25   6.715   8.332 -16.753
  168   HG12  ILE  25          2HG1      ILE  25   9.464   8.052 -15.533
  169   HG13  ILE  25          3HG1      ILE  25   8.646   6.739 -16.373
  170   HG21  ILE  25          1HG2      ILE  25   6.589  10.382 -15.712
  171   HG22  ILE  25          2HG2      ILE  25   7.811   9.967 -14.511
  172   HG23  ILE  25          3HG2      ILE  25   8.291  10.328 -16.169
  173   HD11  ILE  25          3HD1      ILE  25  10.111   8.985 -17.435
  174   HD12  ILE  25          1HD1      ILE  25   9.597   7.494 -18.224
  175   HD13  ILE  25          2HD1      ILE  25   8.495   8.869 -18.132
  176    H    ILE  26           H        ILE  26   5.570   7.519 -12.509
  177    HA   ILE  26           HA       ILE  26   3.631   8.296 -11.608
  178    HB   ILE  26           HB       ILE  26   3.889  10.431 -13.729
  179   HG12  ILE  26          2HG1      ILE  26   4.613  11.692 -11.514
  180   HG13  ILE  26          3HG1      ILE  26   5.042  10.065 -10.997
  181   HG21  ILE  26          1HG2      ILE  26   2.553  11.635 -11.753
  182   HG22  ILE  26          2HG2      ILE  26   1.750  10.799 -13.081
  183   HG23  ILE  26          3HG2      ILE  26   1.963   9.988 -11.530
  184   HD11  ILE  26          3HD1      ILE  26   6.003  10.881 -13.660
  185   HD12  ILE  26          1HD1      ILE  26   6.722  11.702 -12.275
  186   HD13  ILE  26          2HD1      ILE  26   6.801   9.944 -12.397
  187    H    GLY  27           H        GLY  27   2.149   6.732 -12.015
  188    HA2  GLY  27           2HA      GLY  27   0.205   7.272 -14.089
  189    HA3  GLY  27           3HA      GLY  27   1.104   5.779 -14.313
  190    H    PHE  28           H        PHE  28  -0.637   4.417 -14.033
  191    HA   PHE  28           HA       PHE  28  -1.661   4.272 -11.280
  192    HB2  PHE  28           HB2      PHE  28  -3.271   3.823 -13.802
  193    HB3  PHE  28           HB3      PHE  28  -3.859   3.588 -12.159
  194    HD1  PHE  28           HD2      PHE  28  -3.837   5.628 -10.606
  195    HD2  PHE  28           HD1      PHE  28  -3.479   5.885 -14.840
  196    HE1  PHE  28           HE2      PHE  28  -4.537   7.985 -10.519
  197    HE2  PHE  28           HE1      PHE  28  -4.177   8.243 -14.759
  198    HZ   PHE  28           HZ       PHE  28  -4.709   9.296 -12.597
  199    H    CYS  29           H        CYS  29  -1.749   2.272 -10.385
  200    HA   CYS  29           HA       CYS  29  -0.324   0.163 -11.713
  201    HB2  CYS  29           HB2      CYS  29  -0.464   0.822  -9.147
  202    HB3  CYS  29           HB3      CYS  29  -1.812  -0.310  -9.169
  203    H    LEU  30           H        LEU  30  -1.114  -1.567 -12.747
  204    HA   LEU  30           HA       LEU  30  -3.856  -2.423 -12.341
  205    HB2  LEU  30           HB2      LEU  30  -4.303  -2.385 -14.803
  206    HB3  LEU  30           HB3      LEU  30  -4.250  -0.807 -14.021
  207    HG   LEU  30           HG       LEU  30  -1.718  -0.943 -14.881
  208   HD11  LEU  30          1HD1      LEU  30  -2.834  -3.191 -16.068
  209   HD12  LEU  30          2HD1      LEU  30  -1.314  -2.409 -16.500
  210   HD13  LEU  30          3HD1      LEU  30  -2.799  -1.981 -17.351
  211   HD21  LEU  30          3HD2      LEU  30  -2.312   0.693 -16.356
  212   HD22  LEU  30          1HD2      LEU  30  -3.776   0.643 -15.374
  213   HD23  LEU  30          2HD2      LEU  30  -3.731  -0.183 -16.932
  Start of MODEL    6
    1    H1   CYS   1           H        CYS   1   1.942   0.524   0.673
    2    HA   CYS   1           HA       CYS   1   3.087   0.681  -1.289
    3    HB2  CYS   1           HB2      CYS   1   3.309  -1.526  -2.546
    4    HB3  CYS   1           HB3      CYS   1   3.822  -1.528  -0.861
    5    H    ILE   2           H        ILE   2   1.170   2.116  -1.865
    6    HA   ILE   2           HA       ILE   2  -0.206   2.938  -3.480
    7    HB   ILE   2           HB       ILE   2   0.792   0.632  -5.157
    8   HG12  ILE   2          2HG1      ILE   2   2.624   2.044  -4.287
    9   HG13  ILE   2          3HG1      ILE   2   2.445   2.199  -6.031
   10   HG21  ILE   2          1HG2      ILE   2  -0.681   3.166  -5.813
   11   HG22  ILE   2          2HG2      ILE   2   0.242   2.274  -7.021
   12   HG23  ILE   2          3HG2      ILE   2  -1.121   1.505  -6.208
   13   HD11  ILE   2          3HD1      ILE   2   2.367   4.219  -4.018
   14   HD12  ILE   2          1HD1      ILE   2   2.356   4.389  -5.773
   15   HD13  ILE   2          2HD1      ILE   2   0.838   4.196  -4.895
   16    H    ALA   3           H        ALA   3  -2.287   2.755  -2.965
   17    HA   ALA   3           HA       ALA   3  -3.639   0.379  -2.371
   18    HB1  ALA   3           1HB      ALA   3  -4.610   2.312  -1.515
   19    HB2  ALA   3           HB2      ALA   3  -4.565   3.141  -3.072
   20    HB3  ALA   3           HB3      ALA   3  -5.717   1.834  -2.803
   21    H    HIS   4           H        HIS   4  -5.477  -0.563  -3.537
   22    HA   HIS   4           HA       HIS   4  -4.819  -1.544  -6.025
   23    HB2  HIS   4           HB2      HIS   4  -7.232  -1.495  -4.354
   24    HB3  HIS   4           HB3      HIS   4  -7.563  -1.656  -6.077
   25    HD1  HIS   4           HD1      HIS   4  -5.459  -3.343  -3.400
   26    HD2  HIS   4           HD2      HIS   4  -7.329  -4.193  -7.011
   27    HE1  HIS   4           HE1      HIS   4  -5.183  -5.820  -3.733
   28    H    TYR   5           H        TYR   5  -4.662  -0.629  -7.953
   29    HA   TYR   5           HA       TYR   5  -4.951   0.775  -9.719
   30    HB2  TYR   5           HB2      TYR   5  -7.669   1.489  -8.650
   31    HB3  TYR   5           HB3      TYR   5  -7.143   1.361 -10.325
   32    HD1  TYR   5           HD1      TYR   5  -5.799  -1.295 -10.254
   33    HD2  TYR   5           HD2      TYR   5  -9.475   0.003  -8.548
   34    HE1  TYR   5           HE1      TYR   5  -6.650  -3.601 -10.347
   35    HE2  TYR   5           HE2      TYR   5 -10.335  -2.300  -8.636
   36    HH   TYR   5           HH       TYR   5  -8.812  -4.831  -8.728
   37    H    GLY   6           H        GLY   6  -3.735   1.797  -7.341
   38    HA2  GLY   6           2HA      GLY   6  -4.709   4.557  -7.171
   39    HA3  GLY   6           3HA      GLY   6  -3.534   3.809  -6.099
   40    H    LYS   7           H        LYS   7  -3.059   6.303  -7.115
   41    HA   LYS   7           HA       LYS   7  -1.534   6.265  -9.516
   42    HB2  LYS   7           HB2      LYS   7  -2.503   8.217  -7.729
   43    HB3  LYS   7           HB3      LYS   7  -0.755   8.404  -7.751
   44    HG2  LYS   7           2HG      LYS   7  -1.898   8.074 -10.408
   45    HG3  LYS   7           3HG      LYS   7  -2.514   9.489  -9.551
   46    HD2  LYS   7           2HD      LYS   7   0.412   8.832  -9.882
   47    HD3  LYS   7           3HD      LYS   7  -0.485   9.946 -10.917
   48    HE2  LYS   7           2HE      LYS   7  -1.118  11.051  -8.616
   49    HE3  LYS   7           3HE      LYS   7   0.348  10.240  -8.069
   50    HZ1  LYS   7           3HZ      LYS   7   0.055  12.554  -9.748
   51    HZ2  LYS   7           1HZ      LYS   7   1.124  11.406 -10.382
   52    HZ3  LYS   7           2HZ      LYS   7   1.384  12.041  -8.837
   53    H    CYS   8           H        CYS   8   0.737   6.504  -9.757
   54    HA   CYS   8           HA       CYS   8   2.286   5.430  -7.491
   55    HB2  CYS   8           HB2      CYS   8   1.996   4.432 -10.142
   56    HB3  CYS   8           HB3      CYS   8   3.653   4.999  -9.960
   57    H    ASP   9           H        ASP   9   4.391   6.225  -7.168
   58    HA   ASP   9           HA       ASP   9   4.711   8.993  -7.848
   59    HB2  ASP   9           HB2      ASP   9   5.372   8.027  -5.642
   60    HB3  ASP   9           HB3      ASP   9   6.670   7.158  -6.455
   61    H    GLY  10           H        GLY  10   6.147   5.950  -8.868
   62    HA2  GLY  10           2HA      GLY  10   6.878   5.938 -11.239
   63    HA3  GLY  10           3HA      GLY  10   7.695   7.454 -10.888
   64    H    ILE  11           H        ILE  11   9.326   7.297  -9.041
   65    HA   ILE  11           HA       ILE  11  11.342   5.501  -9.755
   66    HB   ILE  11           HB       ILE  11  11.251   7.719  -8.183
   67   HG12  ILE  11          2HG1      ILE  11  13.205   6.964  -9.401
   68   HG13  ILE  11          3HG1      ILE  11  13.652   7.255  -7.724
   69   HG21  ILE  11          1HG2      ILE  11  11.823   7.192  -5.934
   70   HG22  ILE  11          2HG2      ILE  11  10.350   6.303  -6.320
   71   HG23  ILE  11          3HG2      ILE  11  11.903   5.467  -6.294
   72   HD11  ILE  11          3HD1      ILE  11  13.491   4.838  -7.296
   73   HD12  ILE  11          1HD1      ILE  11  13.136   4.583  -9.004
   74   HD13  ILE  11          2HD1      ILE  11  14.698   5.242  -8.517
   75    H    ILE  12           H        ILE  12   8.685   5.167  -7.557
   76    HA   ILE  12           HA       ILE  12   9.819   2.731  -6.396
   77    HB   ILE  12           HB       ILE  12   7.260   4.184  -5.714
   78   HG12  ILE  12          2HG1      ILE  12   9.170   4.130  -3.591
   79   HG13  ILE  12          3HG1      ILE  12   9.972   4.729  -5.039
   80   HG21  ILE  12          1HG2      ILE  12   7.814   2.635  -3.571
   81   HG22  ILE  12          2HG2      ILE  12   6.723   2.167  -4.874
   82   HG23  ILE  12          3HG2      ILE  12   8.394   1.603  -4.878
   83   HD11  ILE  12          3HD1      ILE  12   7.445   6.000  -4.838
   84   HD12  ILE  12          1HD1      ILE  12   8.252   6.109  -3.274
   85   HD13  ILE  12          2HD1      ILE  12   9.055   6.711  -4.725
   86    H    ASN  13           H        ASN  13   9.658   1.248  -8.054
   87    HA   ASN  13           HA       ASN  13   7.103   0.834  -9.373
   88    HB2  ASN  13           HB2      ASN  13   9.770  -0.564  -9.675
   89    HB3  ASN  13           HB3      ASN  13   8.340  -0.927 -10.637
   90   HD21  ASN  13          1HD2      ASN  13  10.465   1.746  -9.717
   91   HD22  ASN  13          2HD2      ASN  13  10.369   2.573 -11.231
   92    H    GLN  14           H        GLN  14   8.014   0.128  -6.429
   93    HA   GLN  14           HA       GLN  14   7.490  -2.702  -6.310
   94    HB2  GLN  14           HB2      GLN  14   7.972  -0.563  -4.256
   95    HB3  GLN  14           HB3      GLN  14   7.424  -2.164  -3.778
   96    HG2  GLN  14           2HG      GLN  14   9.682  -2.407  -3.572
   97    HG3  GLN  14           3HG      GLN  14   9.445  -2.963  -5.228
   98   HE21  GLN  14          1HE2      GLN  14  10.685  -2.092  -6.727
   99   HE22  GLN  14          2HE2      GLN  14  11.563  -0.611  -6.584
  100    H    CYS  15           H        CYS  15   5.391  -2.346  -7.510
  101    HA   CYS  15           HA       CYS  15   3.217  -1.470  -5.751
  102    HB2  CYS  15           HB2      CYS  15   3.392  -0.612  -8.121
  103    HB3  CYS  15           HB3      CYS  15   3.031  -2.247  -8.664
  104    H    CYS  16           H        CYS  16   2.614  -3.069  -4.419
  105    HA   CYS  16           HA       CYS  16   2.857  -5.800  -4.834
  106    HB2  CYS  16           HB2      CYS  16   0.715  -4.434  -3.193
  107    HB3  CYS  16           HB3      CYS  16   1.298  -6.083  -2.993
  108    H    ASP  17           H        ASP  17  -0.213  -3.987  -4.980
  109    HA   ASP  17           HA       ASP  17  -1.060  -5.765  -7.165
  110    HB2  ASP  17           HB2      ASP  17  -2.356  -5.291  -4.549
  111    HB3  ASP  17           HB3      ASP  17  -3.428  -5.257  -5.947
  112    HA   PRO  18           HA       PRO  18  -3.467  -5.880  -7.865
  113    HB2  PRO  18           HB2      PRO  18  -4.026  -5.731 -10.517
  114    HB3  PRO  18           HB3      PRO  18  -5.074  -5.038  -9.274
  115    HG2  PRO  18           2HG      PRO  18  -3.037  -3.687 -11.002
  116    HG3  PRO  18           3HG      PRO  18  -4.667  -3.145 -10.562
  117    HD2  PRO  18           2HD      PRO  18  -2.440  -2.200  -9.347
  118    HD3  PRO  18           3HD      PRO  18  -3.989  -2.374  -8.498
  119    H    TRP  19           H        TRP  19  -1.393  -4.505 -10.425
  120    HA   TRP  19           HA       TRP  19   0.194  -6.983 -10.341
  121    HB2  TRP  19           HB2      TRP  19  -0.698  -5.447 -12.787
  122    HB3  TRP  19           HB3      TRP  19   0.546  -6.693 -12.816
  123    HD1  TRP  19           HD1      TRP  19  -3.205  -6.223 -12.717
  124    HE1  TRP  19           HE1      TRP  19  -4.355  -8.517 -12.913
  125    HE3  TRP  19           HE3      TRP  19   0.893  -9.232 -12.178
  126    HZ2  TRP  19           HZ2      TRP  19  -3.621 -11.242 -12.847
  127    HZ3  TRP  19           HZ3      TRP  19   0.583 -11.671 -12.256
  128    HH2  TRP  19           HH2      TRP  19  -1.628 -12.654 -12.583
  129    H    LEU  20           H        LEU  20   0.772  -4.323 -12.527
  130    HA   LEU  20           HA       LEU  20   3.018  -3.426 -10.855
  131    HB2  LEU  20           HB2      LEU  20   4.174  -3.062 -13.162
  132    HB3  LEU  20           HB3      LEU  20   4.210  -4.643 -12.383
  133    HG   LEU  20           HG       LEU  20   2.428  -5.421 -13.856
  134   HD11  LEU  20          1HD1      LEU  20   2.110  -3.745 -15.901
  135   HD12  LEU  20          2HD1      LEU  20   2.371  -2.562 -14.620
  136   HD13  LEU  20          3HD1      LEU  20   1.056  -3.730 -14.486
  137   HD21  LEU  20          3HD2      LEU  20   4.977  -5.289 -14.478
  138   HD22  LEU  20          1HD2      LEU  20   4.395  -4.165 -15.707
  139   HD23  LEU  20          2HD2      LEU  20   3.781  -5.818 -15.663
  140    H    CYS  21           H        CYS  21   3.814  -1.267 -11.411
  141    HA   CYS  21           HA       CYS  21   1.590   0.488 -12.073
  142    HB2  CYS  21           HB2      CYS  21   4.155   0.751 -10.622
  143    HB3  CYS  21           HB3      CYS  21   3.624   2.181 -11.501
  144    H    THR  22           H        THR  22   1.339   1.450 -13.975
  145    HA   THR  22           HA       THR  22   3.658   1.990 -15.663
  146    HB   THR  22           HB       THR  22   1.277   0.399 -16.634
  147    HG1  THR  22           HG1      THR  22   2.857  -0.841 -15.515
  148   HG21  THR  22          3HG2      THR  22   2.203   2.113 -18.243
  149   HG22  THR  22          1HG2      THR  22   2.245   0.443 -18.806
  150   HG23  THR  22          2HG2      THR  22   3.717   1.209 -18.208
  151    HA   PRO  23           HA       PRO  23   4.189   2.969 -17.459
  152    HB2  PRO  23           HB2      PRO  23   5.242   5.469 -17.569
  153    HB3  PRO  23           HB3      PRO  23   4.194   4.812 -18.831
  154    HG2  PRO  23           2HG      PRO  23   3.513   6.657 -16.575
  155    HG3  PRO  23           3HG      PRO  23   3.001   6.728 -18.271
  156    HD2  PRO  23           2HD      PRO  23   1.410   5.753 -16.309
  157    HD3  PRO  23           3HD      PRO  23   1.360   5.138 -17.973
  158    HA   PRO  24           HA       PRO  24   6.683   3.003 -13.838
  159    HB2  PRO  24           HB2      PRO  24   9.177   3.479 -14.798
  160    HB3  PRO  24           HB3      PRO  24   8.327   1.949 -15.048
  161    HG2  PRO  24           2HG      PRO  24   8.630   4.275 -16.909
  162    HG3  PRO  24           3HG      PRO  24   8.757   2.541 -17.256
  163    HD2  PRO  24           2HD      PRO  24   6.532   3.979 -17.816
  164    HD3  PRO  24           3HD      PRO  24   6.471   2.265 -17.357
  165    H    ILE  25           H        ILE  25   6.275   5.826 -15.638
  166    HA   ILE  25           HA       ILE  25   7.907   7.482 -13.876
  167    HB   ILE  25           HB       ILE  25   6.130   8.465 -16.098
  168   HG12  ILE  25          2HG1      ILE  25   9.012   7.560 -16.280
  169   HG13  ILE  25          3HG1      ILE  25   7.630   6.755 -17.015
  170   HG21  ILE  25          1HG2      ILE  25   6.928  10.468 -15.574
  171   HG22  ILE  25          2HG2      ILE  25   7.732   9.745 -14.182
  172   HG23  ILE  25          3HG2      ILE  25   8.587   9.889 -15.717
  173   HD11  ILE  25          3HD1      ILE  25   7.457   9.333 -17.970
  174   HD12  ILE  25          1HD1      ILE  25   9.190   9.005 -17.955
  175   HD13  ILE  25          2HD1      ILE  25   8.096   7.935 -18.834
  176    H    ILE  26           H        ILE  26   4.588   7.840 -15.127
  177    HA   ILE  26           HA       ILE  26   3.545   8.128 -12.439
  178    HB   ILE  26           HB       ILE  26   3.647  10.427 -14.374
  179   HG12  ILE  26          2HG1      ILE  26   4.025  11.439 -11.887
  180   HG13  ILE  26          3HG1      ILE  26   4.660   9.812 -11.663
  181   HG21  ILE  26          1HG2      ILE  26   2.051  11.514 -12.653
  182   HG22  ILE  26          2HG2      ILE  26   1.379  10.456 -13.893
  183   HG23  ILE  26          3HG2      ILE  26   1.616   9.852 -12.253
  184   HD11  ILE  26          3HD1      ILE  26   5.971  12.022 -12.746
  185   HD12  ILE  26          1HD1      ILE  26   6.539  10.354 -12.691
  186   HD13  ILE  26          2HD1      ILE  26   5.659  10.939 -14.103
  187    H    GLY  27           H        GLY  27   1.706   7.027 -12.403
  188    HA2  GLY  27           2HA      GLY  27  -0.414   7.465 -14.229
  189    HA3  GLY  27           3HA      GLY  27   0.422   5.974 -14.639
  190    H    PHE  28           H        PHE  28  -1.143   4.527 -14.096
  191    HA   PHE  28           HA       PHE  28  -1.807   4.374 -11.235
  192    HB2  PHE  28           HB2      PHE  28  -3.708   3.846 -13.529
  193    HB3  PHE  28           HB3      PHE  28  -4.072   3.599 -11.825
  194    HD1  PHE  28           HD1      PHE  28  -3.946   5.642 -10.290
  195    HD2  PHE  28           HD2      PHE  28  -4.111   5.896 -14.535
  196    HE1  PHE  28           HE1      PHE  28  -4.719   7.972 -10.117
  197    HE2  PHE  28           HE2      PHE  28  -4.884   8.226 -14.369
  198    HZ   PHE  28           HZ       PHE  28  -5.188   9.267 -12.158
  199    H    CYS  29           H        CYS  29  -1.814   2.352 -10.337
  200    HA   CYS  29           HA       CYS  29  -0.387   0.311 -11.744
  201    HB2  CYS  29           HB2      CYS  29  -0.435   0.906  -9.181
  202    HB3  CYS  29           HB3      CYS  29  -1.798  -0.209  -9.156
  203    H    LEU  30           H        LEU  30  -1.157  -1.357 -12.869
  204    HA   LEU  30           HA       LEU  30  -3.879  -2.300 -12.407
  205    HB2  LEU  30           HB2      LEU  30  -4.634  -2.021 -14.581
  206    HB3  LEU  30           HB3      LEU  30  -3.790  -0.511 -14.242
  207    HG   LEU  30           HG       LEU  30  -2.656  -2.809 -15.836
  208   HD11  LEU  30          1HD1      LEU  30  -3.898  -0.204 -16.700
  209   HD12  LEU  30          2HD1      LEU  30  -4.452  -1.835 -17.076
  210   HD13  LEU  30          3HD1      LEU  30  -2.935  -1.242 -17.753
  211   HD21  LEU  30          3HD2      LEU  30  -1.175  -0.680 -16.496
  212   HD22  LEU  30          1HD2      LEU  30  -0.756  -1.772 -15.176
  213   HD23  LEU  30          2HD2      LEU  30  -1.573  -0.247 -14.832
  Start of MODEL    7
    1    H1   CYS   1           H        CYS   1   1.705  -0.636   0.669
    2    HA   CYS   1           HA       CYS   1   3.056   0.772  -1.230
    3    HB2  CYS   1           HB2      CYS   1   3.327  -1.434  -2.443
    4    HB3  CYS   1           HB3      CYS   1   3.758  -1.449  -0.736
    5    H    ILE   2           H        ILE   2   1.142   2.200  -1.838
    6    HA   ILE   2           HA       ILE   2  -0.221   3.001  -3.475
    7    HB   ILE   2           HB       ILE   2   0.790   0.676  -5.116
    8   HG12  ILE   2          2HG1      ILE   2   2.617   2.096  -4.245
    9   HG13  ILE   2          3HG1      ILE   2   2.454   2.229  -5.993
   10   HG21  ILE   2          1HG2      ILE   2   0.260   2.305  -7.002
   11   HG22  ILE   2          2HG2      ILE   2  -1.107   1.534  -6.199
   12   HG23  ILE   2          3HG2      ILE   2  -0.681   3.200  -5.809
   13   HD11  ILE   2          3HD1      ILE   2   2.373   4.276  -4.013
   14   HD12  ILE   2          1HD1      ILE   2   2.352   4.422  -5.770
   15   HD13  ILE   2          2HD1      ILE   2   0.839   4.241  -4.881
   16    H    ALA   3           H        ALA   3  -2.306   2.823  -2.973
   17    HA   ALA   3           HA       ALA   3  -3.660   0.451  -2.365
   18    HB1  ALA   3           1HB      ALA   3  -4.932   2.986  -3.378
   19    HB2  ALA   3           HB2      ALA   3  -5.662   1.749  -2.354
   20    HB3  ALA   3           HB3      ALA   3  -4.364   2.763  -1.723
   21    H    HIS   4           H        HIS   4  -5.487  -0.505  -3.535
   22    HA   HIS   4           HA       HIS   4  -4.812  -1.504  -6.011
   23    HB2  HIS   4           HB2      HIS   4  -7.226  -1.460  -4.348
   24    HB3  HIS   4           HB3      HIS   4  -7.560  -1.616  -6.070
   25    HD1  HIS   4           HD1      HIS   4  -5.230  -3.269  -3.546
   26    HD2  HIS   4           HD2      HIS   4  -7.547  -4.191  -6.869
   27    HE1  HIS   4           HE1      HIS   4  -5.009  -5.755  -3.851
   28    H    TYR   5           H        TYR   5  -4.648  -0.604  -7.947
   29    HA   TYR   5           HA       TYR   5  -4.933   0.784  -9.724
   30    HB2  TYR   5           HB2      TYR   5  -7.658   1.498  -8.674
   31    HB3  TYR   5           HB3      TYR   5  -7.124   1.360 -10.346
   32    HD1  TYR   5           HD1      TYR   5  -5.770  -1.291 -10.247
   33    HD2  TYR   5           HD2      TYR   5  -9.461   0.006  -8.573
   34    HE1  TYR   5           HE1      TYR   5  -6.613  -3.601 -10.328
   35    HE2  TYR   5           HE2      TYR   5 -10.313  -2.299  -8.649
   36    HH   TYR   5           HH       TYR   5  -8.300  -4.963  -9.867
   37    H    GLY   6           H        GLY   6  -3.733   1.829  -7.347
   38    HA2  GLY   6           2HA      GLY   6  -4.715   4.588  -7.207
   39    HA3  GLY   6           3HA      GLY   6  -3.548   3.851  -6.120
   40    H    LYS   7           H        LYS   7  -3.052   6.332  -7.134
   41    HA   LYS   7           HA       LYS   7  -1.521   6.289  -9.530
   42    HB2  LYS   7           HB2      LYS   7  -2.473   8.243  -7.726
   43    HB3  LYS   7           HB3      LYS   7  -0.725   8.426  -7.781
   44    HG2  LYS   7           2HG      LYS   7  -1.925   8.096 -10.414
   45    HG3  LYS   7           3HG      LYS   7  -2.511   9.517  -9.546
   46    HD2  LYS   7           2HD      LYS   7   0.402   8.836  -9.938
   47    HD3  LYS   7           3HD      LYS   7  -0.508   9.953 -10.958
   48    HE2  LYS   7           2HE      LYS   7  -1.079  11.129  -8.717
   49    HE3  LYS   7           3HE      LYS   7   0.308  10.238  -8.092
   50    HZ1  LYS   7           3HZ      LYS   7   0.245  12.555  -9.764
   51    HZ2  LYS   7           1HZ      LYS   7   1.206  11.328 -10.425
   52    HZ3  LYS   7           2HZ      LYS   7   1.527  11.908  -8.869
   53    H    CYS   8           H        CYS   8   0.751   6.511  -9.766
   54    HA   CYS   8           HA       CYS   8   2.290   5.437  -7.493
   55    HB2  CYS   8           HB2      CYS   8   1.998   4.429 -10.142
   56    HB3  CYS   8           HB3      CYS   8   3.661   4.976  -9.951
   57    H    ASP   9           H        ASP   9   4.400   6.219  -7.173
   58    HA   ASP   9           HA       ASP   9   4.740   8.981  -7.853
   59    HB2  ASP   9           HB2      ASP   9   6.829   7.224  -6.575
   60    HB3  ASP   9           HB3      ASP   9   6.602   8.961  -6.391
   61    H    GLY  10           H        GLY  10   6.134   5.935  -8.916
   62    HA2  GLY  10           2HA      GLY  10   6.831   5.938 -11.298
   63    HA3  GLY  10           3HA      GLY  10   7.671   7.441 -10.943
   64    H    ILE  11           H        ILE  11   9.335   7.255  -9.139
   65    HA   ILE  11           HA       ILE  11  11.304   5.419  -9.893
   66    HB   ILE  11           HB       ILE  11  11.289   7.653  -8.338
   67   HG12  ILE  11          2HG1      ILE  11  13.196   6.858  -9.608
   68   HG13  ILE  11          3HG1      ILE  11  13.695   7.159  -7.947
   69   HG21  ILE  11          1HG2      ILE  11  10.421   6.262  -6.440
   70   HG22  ILE  11          2HG2      ILE  11  11.961   5.404  -6.454
   71   HG23  ILE  11          3HG2      ILE  11  11.918   7.131  -6.103
   72   HD11  ILE  11          3HD1      ILE  11  13.099   4.480  -9.179
   73   HD12  ILE  11          1HD1      ILE  11  14.687   5.122  -8.760
   74   HD13  ILE  11          2HD1      ILE  11  13.522   4.752  -7.488
   75    H    ILE  12           H        ILE  12   8.692   5.149  -7.639
   76    HA   ILE  12           HA       ILE  12   9.815   2.738  -6.429
   77    HB   ILE  12           HB       ILE  12   7.120   3.927  -5.814
   78   HG12  ILE  12          2HG1      ILE  12   9.803   4.664  -4.627
   79   HG13  ILE  12          3HG1      ILE  12   8.741   5.720  -5.552
   80   HG21  ILE  12          1HG2      ILE  12   7.632   1.648  -5.007
   81   HG22  ILE  12          2HG2      ILE  12   9.017   2.298  -4.132
   82   HG23  ILE  12          3HG2      ILE  12   7.384   2.801  -3.696
   83   HD11  ILE  12          3HD1      ILE  12   8.256   6.390  -3.432
   84   HD12  ILE  12          1HD1      ILE  12   7.039   5.132  -3.643
   85   HD13  ILE  12          2HD1      ILE  12   8.516   4.787  -2.744
   86    H    ASN  13           H        ASN  13   9.701   1.205  -8.042
   87    HA   ASN  13           HA       ASN  13   7.182   0.733  -9.409
   88    HB2  ASN  13           HB2      ASN  13   9.884  -0.610  -9.610
   89    HB3  ASN  13           HB3      ASN  13   8.480  -1.084 -10.562
   90   HD21  ASN  13          1HD2      ASN  13  10.408   1.774  -9.744
   91   HD22  ASN  13          2HD2      ASN  13  10.325   2.491 -11.314
   92    H    GLN  14           H        GLN  14   8.041   0.113  -6.425
   93    HA   GLN  14           HA       GLN  14   7.514  -2.715  -6.246
   94    HB2  GLN  14           HB2      GLN  14   7.917  -0.541  -4.202
   95    HB3  GLN  14           HB3      GLN  14   7.465  -2.177  -3.743
   96    HG2  GLN  14           2HG      GLN  14   9.714  -2.352  -3.547
   97    HG3  GLN  14           3HG      GLN  14   9.547  -2.791  -5.247
   98   HE21  GLN  14          1HE2      GLN  14  10.652  -1.666  -6.699
   99   HE22  GLN  14          2HE2      GLN  14  11.481  -0.180  -6.400
  100    H    CYS  15           H        CYS  15   5.429  -2.380  -7.477
  101    HA   CYS  15           HA       CYS  15   3.239  -1.459  -5.760
  102    HB2  CYS  15           HB2      CYS  15   3.446  -0.652  -8.147
  103    HB3  CYS  15           HB3      CYS  15   3.079  -2.296  -8.658
  104    H    CYS  16           H        CYS  16   2.619  -3.028  -4.402
  105    HA   CYS  16           HA       CYS  16   2.857  -5.768  -4.757
  106    HB2  CYS  16           HB2      CYS  16   0.698  -4.363  -3.170
  107    HB3  CYS  16           HB3      CYS  16   1.278  -6.008  -2.929
  108    H    ASP  17           H        ASP  17  -0.205  -3.947  -4.978
  109    HA   ASP  17           HA       ASP  17  -1.028  -5.754  -7.147
  110    HB2  ASP  17           HB2      ASP  17  -2.342  -5.284  -4.542
  111    HB3  ASP  17           HB3      ASP  17  -3.408  -5.250  -5.944
  112    HA   PRO  18           HA       PRO  18  -3.432  -5.891  -7.860
  113    HB2  PRO  18           HB2      PRO  18  -3.976  -5.762 -10.517
  114    HB3  PRO  18           HB3      PRO  18  -5.036  -5.068  -9.284
  115    HG2  PRO  18           2HG      PRO  18  -2.998  -3.715 -11.009
  116    HG3  PRO  18           3HG      PRO  18  -4.634  -3.181 -10.582
  117    HD2  PRO  18           2HD      PRO  18  -2.420  -2.213  -9.360
  118    HD3  PRO  18           3HD      PRO  18  -3.974  -2.392  -8.519
  119    H    TRP  19           H        TRP  19  -1.353  -4.519 -10.418
  120    HA   TRP  19           HA       TRP  19   0.252  -6.984 -10.308
  121    HB2  TRP  19           HB2      TRP  19  -0.639  -5.474 -12.770
  122    HB3  TRP  19           HB3      TRP  19   0.614  -6.712 -12.783
  123    HD1  TRP  19           HD1      TRP  19  -3.140  -6.266 -12.708
  124    HE1  TRP  19           HE1      TRP  19  -4.273  -8.570 -12.892
  125    HE3  TRP  19           HE3      TRP  19   0.974  -9.243 -12.122
  126    HZ2  TRP  19           HZ2      TRP  19  -3.522 -11.289 -12.800
  127    HZ3  TRP  19           HZ3      TRP  19   0.681 -11.685 -12.182
  128    HH2  TRP  19           HH2      TRP  19  -1.522 -12.685 -12.513
  129    H    LEU  20           H        LEU  20   0.818  -4.333 -12.508
  130    HA   LEU  20           HA       LEU  20   3.052  -3.411 -10.833
  131    HB2  LEU  20           HB2      LEU  20   4.203  -3.047 -13.150
  132    HB3  LEU  20           HB3      LEU  20   4.267  -4.615 -12.347
  133    HG   LEU  20           HG       LEU  20   2.481  -5.435 -13.805
  134   HD11  LEU  20          1HD1      LEU  20   2.373  -2.594 -14.570
  135   HD12  LEU  20          2HD1      LEU  20   1.101  -3.815 -14.538
  136   HD13  LEU  20          3HD1      LEU  20   2.229  -3.753 -15.892
  137   HD21  LEU  20          3HD2      LEU  20   4.950  -5.499 -14.422
  138   HD22  LEU  20          1HD2      LEU  20   4.595  -4.168 -15.523
  139   HD23  LEU  20          2HD2      LEU  20   3.792  -5.724 -15.733
  140    H    CYS  21           H        CYS  21   3.835  -1.249 -11.401
  141    HA   CYS  21           HA       CYS  21   1.600   0.487 -12.074
  142    HB2  CYS  21           HB2      CYS  21   4.171   0.780 -10.633
  143    HB3  CYS  21           HB3      CYS  21   3.611   2.202 -11.509
  144    H    THR  22           H        THR  22   1.344   1.439 -13.981
  145    HA   THR  22           HA       THR  22   3.661   1.981 -15.672
  146    HB   THR  22           HB       THR  22   1.284   0.378 -16.636
  147    HG1  THR  22           HG1      THR  22   2.555  -1.189 -15.979
  148   HG21  THR  22          3HG2      THR  22   2.209   2.087 -18.251
  149   HG22  THR  22          1HG2      THR  22   2.250   0.415 -18.808
  150   HG23  THR  22          2HG2      THR  22   3.722   1.183 -18.213
  151    HA   PRO  23           HA       PRO  23   4.184   2.951 -17.477
  152    HB2  PRO  23           HB2      PRO  23   5.228   5.454 -17.603
  153    HB3  PRO  23           HB3      PRO  23   4.180   4.787 -18.859
  154    HG2  PRO  23           2HG      PRO  23   3.497   6.642 -16.612
  155    HG3  PRO  23           3HG      PRO  23   2.982   6.702 -18.307
  156    HD2  PRO  23           2HD      PRO  23   1.398   5.733 -16.336
  157    HD3  PRO  23           3HD      PRO  23   1.346   5.107 -17.997
  158    HA   PRO  24           HA       PRO  24   6.684   3.013 -13.860
  159    HB2  PRO  24           HB2      PRO  24   9.175   3.486 -14.828
  160    HB3  PRO  24           HB3      PRO  24   8.327   1.954 -15.067
  161    HG2  PRO  24           2HG      PRO  24   8.622   4.267 -16.943
  162    HG3  PRO  24           3HG      PRO  24   8.752   2.531 -17.279
  163    HD2  PRO  24           2HD      PRO  24   6.523   3.962 -17.844
  164    HD3  PRO  24           3HD      PRO  24   6.466   2.251 -17.373
  165    H    ILE  25           H        ILE  25   6.272   5.823 -15.681
  166    HA   ILE  25           HA       ILE  25   7.905   7.494 -13.934
  167    HB   ILE  25           HB       ILE  25   6.114   8.464 -16.151
  168   HG12  ILE  25          2HG1      ILE  25   8.990   7.546 -16.351
  169   HG13  ILE  25          3HG1      ILE  25   7.599   6.745 -17.073
  170   HG21  ILE  25          1HG2      ILE  25   7.729   9.753 -14.255
  171   HG22  ILE  25          2HG2      ILE  25   8.583   9.877 -15.793
  172   HG23  ILE  25          3HG2      ILE  25   6.928  10.469 -15.653
  173   HD11  ILE  25          3HD1      ILE  25   8.853   9.358 -17.822
  174   HD12  ILE  25          1HD1      ILE  25   8.586   7.929 -18.820
  175   HD13  ILE  25          2HD1      ILE  25   7.219   8.930 -18.329
  176    H    ILE  26           H        ILE  26   4.580   7.838 -15.173
  177    HA   ILE  26           HA       ILE  26   3.548   8.141 -12.482
  178    HB   ILE  26           HB       ILE  26   3.632  10.427 -14.433
  179   HG12  ILE  26          2HG1      ILE  26   4.030  11.459 -11.960
  180   HG13  ILE  26          3HG1      ILE  26   4.665   9.835 -11.724
  181   HG21  ILE  26          1HG2      ILE  26   2.064  11.468 -12.583
  182   HG22  ILE  26          2HG2      ILE  26   1.404  10.583 -13.957
  183   HG23  ILE  26          3HG2      ILE  26   1.568   9.787 -12.392
  184   HD11  ILE  26          3HD1      ILE  26   5.970  12.033 -12.839
  185   HD12  ILE  26          1HD1      ILE  26   6.538  10.365 -12.769
  186   HD13  ILE  26          2HD1      ILE  26   5.649  10.936 -14.182
  187    H    GLY  27           H        GLY  27   1.720   7.022 -12.435
  188    HA2  GLY  27           2HA      GLY  27  -0.413   7.447 -14.251
  189    HA3  GLY  27           3HA      GLY  27   0.426   5.957 -14.657
  190    H    PHE  28           H        PHE  28  -1.141   4.514 -14.101
  191    HA   PHE  28           HA       PHE  28  -1.782   4.367 -11.234
  192    HB2  PHE  28           HB2      PHE  28  -3.704   3.834 -13.510
  193    HB3  PHE  28           HB3      PHE  28  -4.053   3.599 -11.800
  194    HD1  PHE  28           HD1      PHE  28  -3.905   5.653 -10.280
  195    HD2  PHE  28           HD2      PHE  28  -4.114   5.878 -14.525
  196    HE1  PHE  28           HE1      PHE  28  -4.671   7.985 -10.115
  197    HE2  PHE  28           HE2      PHE  28  -4.879   8.211 -14.367
  198    HZ   PHE  28           HZ       PHE  28  -5.158   9.268 -12.160
  199    H    CYS  29           H        CYS  29  -1.791   2.346 -10.333
  200    HA   CYS  29           HA       CYS  29  -0.371   0.302 -11.741
  201    HB2  CYS  29           HB2      CYS  29  -0.425   0.897  -9.175
  202    HB3  CYS  29           HB3      CYS  29  -1.783  -0.223  -9.155
  203    H    LEU  30           H        LEU  30  -1.143  -1.365 -12.866
  204    HA   LEU  30           HA       LEU  30  -3.863  -2.311 -12.402
  205    HB2  LEU  30           HB2      LEU  30  -4.456  -2.215 -14.746
  206    HB3  LEU  30           HB3      LEU  30  -4.076  -0.605 -14.138
  207    HG   LEU  30           HG       LEU  30  -2.006  -2.200 -15.602
  208   HD11  LEU  30          1HD1      LEU  30  -4.131  -0.474 -16.865
  209   HD12  LEU  30          2HD1      LEU  30  -3.978  -2.223 -17.033
  210   HD13  LEU  30          3HD1      LEU  30  -2.732  -1.162 -17.689
  211   HD21  LEU  30          3HD2      LEU  30  -2.505   0.681 -14.953
  212   HD22  LEU  30          1HD2      LEU  30  -1.453   0.223 -16.293
  213   HD23  LEU  30          2HD2      LEU  30  -1.069  -0.299 -14.652
  Start of MODEL    8
    1    H1   CYS   1           H        CYS   1   1.576   0.528   0.721
    2    HA   CYS   1           HA       CYS   1   2.881   0.657  -1.136
    3    HB2  CYS   1           HB2      CYS   1   3.207  -1.519  -2.431
    4    HB3  CYS   1           HB3      CYS   1   3.668  -1.536  -0.732
    5    H    ILE   2           H        ILE   2   1.008   2.072  -1.798
    6    HA   ILE   2           HA       ILE   2  -0.312   2.893  -3.459
    7    HB   ILE   2           HB       ILE   2   0.738   0.578  -5.090
    8   HG12  ILE   2          2HG1      ILE   2   2.568   1.946  -4.238
    9   HG13  ILE   2          3HG1      ILE   2   2.365   2.220  -5.965
   10   HG21  ILE   2          1HG2      ILE   2  -0.722   3.101  -5.817
   11   HG22  ILE   2          2HG2      ILE   2   0.229   2.188  -6.987
   12   HG23  ILE   2          3HG2      ILE   2  -1.155   1.434  -6.196
   13   HD11  ILE   2          3HD1      ILE   2   2.572   4.366  -5.304
   14   HD12  ILE   2          1HD1      ILE   2   0.835   4.197  -5.053
   15   HD13  ILE   2          2HD1      ILE   2   1.943   4.049  -3.688
   16    H    ALA   3           H        ALA   3  -2.411   2.727  -3.026
   17    HA   ALA   3           HA       ALA   3  -3.793   0.363  -2.451
   18    HB1  ALA   3           1HB      ALA   3  -5.303   2.651  -3.585
   19    HB2  ALA   3           HB2      ALA   3  -5.629   1.675  -2.152
   20    HB3  ALA   3           HB3      ALA   3  -4.384   2.923  -2.105
   21    H    HIS   4           H        HIS   4  -5.595  -0.584  -3.670
   22    HA   HIS   4           HA       HIS   4  -4.854  -1.597  -6.121
   23    HB2  HIS   4           HB2      HIS   4  -7.331  -1.512  -4.543
   24    HB3  HIS   4           HB3      HIS   4  -7.589  -1.711  -6.274
   25    HD1  HIS   4           HD1      HIS   4  -5.713  -3.358  -3.421
   26    HD2  HIS   4           HD2      HIS   4  -7.209  -4.249  -7.193
   27    HE1  HIS   4           HE1      HIS   4  -5.399  -5.837  -3.700
   28    H    TYR   5           H        TYR   5  -4.626  -0.706  -8.054
   29    HA   TYR   5           HA       TYR   5  -4.848   0.679  -9.844
   30    HB2  TYR   5           HB2      TYR   5  -7.601   1.407  -8.874
   31    HB3  TYR   5           HB3      TYR   5  -7.018   1.273 -10.529
   32    HD1  TYR   5           HD1      TYR   5  -5.671  -1.388 -10.381
   33    HD2  TYR   5           HD2      TYR   5  -9.418  -0.074  -8.851
   34    HE1  TYR   5           HE1      TYR   5  -6.520  -3.693 -10.497
   35    HE2  TYR   5           HE2      TYR   5 -10.277  -2.376  -8.962
   36    HH   TYR   5           HH       TYR   5  -9.687  -4.551  -9.219
   37    H    GLY   6           H        GLY   6  -3.713   1.725  -7.436
   38    HA2  GLY   6           2HA      GLY   6  -4.685   4.487  -7.324
   39    HA3  GLY   6           3HA      GLY   6  -3.539   3.748  -6.215
   40    H    LYS   7           H        LYS   7  -3.038   6.233  -7.242
   41    HA   LYS   7           HA       LYS   7  -1.449   6.172  -9.600
   42    HB2  LYS   7           HB2      LYS   7  -2.447   8.140  -7.828
   43    HB3  LYS   7           HB3      LYS   7  -0.699   8.334  -7.867
   44    HG2  LYS   7           2HG      LYS   7  -1.862   7.963 -10.510
   45    HG3  LYS   7           3HG      LYS   7  -2.479   9.386  -9.668
   46    HD2  LYS   7           2HD      LYS   7   0.447   8.740 -10.014
   47    HD3  LYS   7           3HD      LYS   7  -0.464   9.837 -11.054
   48    HE2  LYS   7           2HE      LYS   7  -1.078  11.019  -8.823
   49    HE3  LYS   7           3HE      LYS   7   0.320  10.155  -8.184
   50    HZ1  LYS   7           3HZ      LYS   7   1.556  11.790  -8.994
   51    HZ2  LYS   7           1HZ      LYS   7   0.243  12.484  -9.804
   52    HZ3  LYS   7           2HZ      LYS   7   1.158  11.276 -10.555
   53    H    CYS   8           H        CYS   8   0.827   6.405  -9.783
   54    HA   CYS   8           HA       CYS   8   2.316   5.363  -7.462
   55    HB2  CYS   8           HB2      CYS   8   2.077   4.297 -10.080
   56    HB3  CYS   8           HB3      CYS   8   3.724   4.898  -9.914
   57    H    ASP   9           H        ASP   9   4.413   6.161  -7.099
   58    HA   ASP   9           HA       ASP   9   4.753   8.918  -7.750
   59    HB2  ASP   9           HB2      ASP   9   6.565   6.947  -6.346
   60    HB3  ASP   9           HB3      ASP   9   6.918   8.665  -6.506
   61    H    GLY  10           H        GLY  10   6.102   5.905  -8.931
   62    HA2  GLY  10           2HA      GLY  10   6.777   5.992 -11.319
   63    HA3  GLY  10           3HA      GLY  10   7.650   7.462 -10.911
   64    H    ILE  11           H        ILE  11   9.376   7.209  -9.225
   65    HA   ILE  11           HA       ILE  11  11.253   5.305 -10.044
   66    HB   ILE  11           HB       ILE  11  11.375   7.547  -8.509
   67   HG12  ILE  11          2HG1      ILE  11  13.206   6.673  -9.838
   68   HG13  ILE  11          3HG1      ILE  11  13.775   6.970  -8.200
   69   HG21  ILE  11          1HG2      ILE  11  12.033   5.289  -6.629
   70   HG22  ILE  11          2HG2      ILE  11  12.071   7.019  -6.293
   71   HG23  ILE  11          3HG2      ILE  11  10.529   6.208  -6.566
   72   HD11  ILE  11          3HD1      ILE  11  14.668   4.895  -9.019
   73   HD12  ILE  11          1HD1      ILE  11  13.528   4.572  -7.713
   74   HD13  ILE  11          2HD1      ILE  11  13.048   4.306  -9.389
   75    H    ILE  12           H        ILE  12   8.731   5.139  -7.675
   76    HA   ILE  12           HA       ILE  12   9.821   2.735  -6.448
   77    HB   ILE  12           HB       ILE  12   7.175   4.082  -5.901
   78   HG12  ILE  12          2HG1      ILE  12   9.853   4.406  -4.530
   79   HG13  ILE  12          3HG1      ILE  12   8.996   5.636  -5.453
   80   HG21  ILE  12          1HG2      ILE  12   8.385   2.620  -3.724
   81   HG22  ILE  12          2HG2      ILE  12   6.776   2.465  -4.428
   82   HG23  ILE  12          3HG2      ILE  12   8.135   1.589  -5.132
   83   HD11  ILE  12          3HD1      ILE  12   8.404   6.281  -3.372
   84   HD12  ILE  12          1HD1      ILE  12   7.116   5.112  -3.656
   85   HD13  ILE  12          2HD1      ILE  12   8.530   4.653  -2.707
   86    H    ASN  13           H        ASN  13   9.726   1.173  -8.038
   87    HA   ASN  13           HA       ASN  13   7.215   0.661  -9.405
   88    HB2  ASN  13           HB2      ASN  13   9.923  -0.677  -9.567
   89    HB3  ASN  13           HB3      ASN  13   8.525  -1.170 -10.518
   90   HD21  ASN  13          1HD2      ASN  13  10.491   1.673  -9.758
   91   HD22  ASN  13          2HD2      ASN  13  10.397   2.374 -11.334
   92    H    GLN  14           H        GLN  14   8.062   0.104  -6.406
   93    HA   GLN  14           HA       GLN  14   7.549  -2.722  -6.172
   94    HB2  GLN  14           HB2      GLN  14   7.831  -0.529  -4.116
   95    HB3  GLN  14           HB3      GLN  14   7.552  -2.216  -3.706
   96    HG2  GLN  14           2HG      GLN  14   9.817  -2.121  -3.516
   97    HG3  GLN  14           3HG      GLN  14   9.667  -2.601  -5.206
   98   HE21  GLN  14          1HE2      GLN  14  10.262  -1.195  -6.804
   99   HE22  GLN  14          2HE2      GLN  14  11.078   0.297  -6.499
  100    H    CYS  15           H        CYS  15   5.470  -2.428  -7.421
  101    HA   CYS  15           HA       CYS  15   3.265  -1.515  -5.713
  102    HB2  CYS  15           HB2      CYS  15   3.444  -0.635  -8.054
  103    HB3  CYS  15           HB3      CYS  15   3.174  -2.274  -8.638
  104    H    CYS  16           H        CYS  16   2.639  -3.111  -4.389
  105    HA   CYS  16           HA       CYS  16   2.892  -5.844  -4.794
  106    HB2  CYS  16           HB2      CYS  16   0.711  -4.488  -3.196
  107    HB3  CYS  16           HB3      CYS  16   1.317  -6.127  -2.975
  108    H    ASP  17           H        ASP  17  -0.176  -4.032  -4.997
  109    HA   ASP  17           HA       ASP  17  -0.983  -5.807  -7.198
  110    HB2  ASP  17           HB2      ASP  17  -3.373  -5.382  -6.059
  111    HB3  ASP  17           HB3      ASP  17  -2.351  -6.754  -5.638
  112    HA   PRO  18           HA       PRO  18  -3.361  -5.938  -7.955
  113    HB2  PRO  18           HB2      PRO  18  -3.860  -5.771 -10.618
  114    HB3  PRO  18           HB3      PRO  18  -4.944  -5.101  -9.394
  115    HG2  PRO  18           2HG      PRO  18  -2.882  -3.713 -11.062
  116    HG3  PRO  18           3HG      PRO  18  -4.528  -3.192 -10.656
  117    HD2  PRO  18           2HD      PRO  18  -2.340  -2.234  -9.380
  118    HD3  PRO  18           3HD      PRO  18  -3.907  -2.432  -8.570
  119    H    TRP  19           H        TRP  19  -1.247  -4.521 -10.458
  120    HA   TRP  19           HA       TRP  19   0.367  -6.981 -10.356
  121    HB2  TRP  19           HB2      TRP  19  -0.489  -5.435 -12.809
  122    HB3  TRP  19           HB3      TRP  19   0.772  -6.665 -12.821
  123    HD1  TRP  19           HD1      TRP  19  -2.985  -6.244 -12.807
  124    HE1  TRP  19           HE1      TRP  19  -4.100  -8.551 -13.046
  125    HE3  TRP  19           HE3      TRP  19   1.137  -9.205 -12.189
  126    HZ2  TRP  19           HZ2      TRP  19  -3.334 -11.267 -12.981
  127    HZ3  TRP  19           HZ3      TRP  19   0.860 -11.647 -12.291
  128    HH2  TRP  19           HH2      TRP  19  -1.330 -12.655 -12.679
  129    H    LEU  20           H        LEU  20   0.980  -4.316 -12.520
  130    HA   LEU  20           HA       LEU  20   3.160  -3.387 -10.780
  131    HB2  LEU  20           HB2      LEU  20   4.399  -3.031 -13.041
  132    HB3  LEU  20           HB3      LEU  20   4.411  -4.611 -12.258
  133    HG   LEU  20           HG       LEU  20   2.671  -5.385 -13.796
  134   HD11  LEU  20          1HD1      LEU  20   2.507  -3.696 -15.870
  135   HD12  LEU  20          2HD1      LEU  20   2.663  -2.532 -14.554
  136   HD13  LEU  20          3HD1      LEU  20   1.351  -3.710 -14.538
  137   HD21  LEU  20          3HD2      LEU  20   4.065  -5.713 -15.638
  138   HD22  LEU  20          1HD2      LEU  20   5.186  -5.435 -14.305
  139   HD23  LEU  20          2HD2      LEU  20   4.840  -4.139 -15.451
  140    H    CYS  21           H        CYS  21   3.957  -1.225 -11.333
  141    HA   CYS  21           HA       CYS  21   1.740   0.508 -12.057
  142    HB2  CYS  21           HB2      CYS  21   4.363   0.864 -10.681
  143    HB3  CYS  21           HB3      CYS  21   3.639   2.267 -11.460
  144    H    THR  22           H        THR  22   1.501   1.437 -13.977
  145    HA   THR  22           HA       THR  22   3.831   1.981 -15.646
  146    HB   THR  22           HB       THR  22   1.491   0.335 -16.627
  147    HG1  THR  22           HG1      THR  22   3.149  -0.791 -15.409
  148   HG21  THR  22          3HG2      THR  22   2.502   0.350 -18.780
  149   HG22  THR  22          1HG2      THR  22   3.951   1.147 -18.168
  150   HG23  THR  22          2HG2      THR  22   2.427   2.030 -18.250
  151    HA   PRO  23           HA       PRO  23   4.367   2.938 -17.453
  152    HB2  PRO  23           HB2      PRO  23   5.375   5.455 -17.594
  153    HB3  PRO  23           HB3      PRO  23   4.357   4.756 -18.858
  154    HG2  PRO  23           2HG      PRO  23   3.611   6.628 -16.644
  155    HG3  PRO  23           3HG      PRO  23   3.121   6.659 -18.348
  156    HD2  PRO  23           2HD      PRO  23   1.522   5.690 -16.390
  157    HD3  PRO  23           3HD      PRO  23   1.505   5.043 -18.043
  158    HA   PRO  24           HA       PRO  24   6.810   3.083 -13.800
  159    HB2  PRO  24           HB2      PRO  24   9.308   3.586 -14.735
  160    HB3  PRO  24           HB3      PRO  24   8.489   2.037 -14.968
  161    HG2  PRO  24           2HG      PRO  24   8.776   4.333 -16.868
  162    HG3  PRO  24           3HG      PRO  24   8.938   2.595 -17.180
  163    HD2  PRO  24           2HD      PRO  24   6.696   3.983 -17.796
  164    HD3  PRO  24           3HD      PRO  24   6.659   2.277 -17.307
  165    H    ILE  25           H        ILE  25   6.377   5.865 -15.657
  166    HA   ILE  25           HA       ILE  25   7.959   7.583 -13.910
  167    HB   ILE  25           HB       ILE  25   6.180   8.484 -16.167
  168   HG12  ILE  25          2HG1      ILE  25   9.089   7.659 -16.298
  169   HG13  ILE  25          3HG1      ILE  25   7.741   6.796 -17.030
  170   HG21  ILE  25          1HG2      ILE  25   8.597   9.977 -15.778
  171   HG22  ILE  25          2HG2      ILE  25   6.922  10.517 -15.678
  172   HG23  ILE  25          3HG2      ILE  25   7.717   9.844 -14.255
  173   HD11  ILE  25          3HD1      ILE  25   9.284   8.972 -18.063
  174   HD12  ILE  25          1HD1      ILE  25   8.072   7.974 -18.868
  175   HD13  ILE  25          2HD1      ILE  25   7.580   9.420 -17.985
  176    H    ILE  26           H        ILE  26   4.645   7.863 -15.194
  177    HA   ILE  26           HA       ILE  26   3.572   8.168 -12.519
  178    HB   ILE  26           HB       ILE  26   3.660  10.446 -14.480
  179   HG12  ILE  26          2HG1      ILE  26   3.987  11.489 -11.997
  180   HG13  ILE  26          3HG1      ILE  26   4.649   9.877 -11.751
  181   HG21  ILE  26          1HG2      ILE  26   1.569   9.797 -12.464
  182   HG22  ILE  26          2HG2      ILE  26   2.038  11.482 -12.686
  183   HG23  ILE  26          3HG2      ILE  26   1.414  10.554 -14.050
  184   HD11  ILE  26          3HD1      ILE  26   5.932  12.101 -12.837
  185   HD12  ILE  26          1HD1      ILE  26   6.530  10.443 -12.763
  186   HD13  ILE  26          2HD1      ILE  26   5.655  11.003 -14.189
  187    H    GLY  27           H        GLY  27   1.755   7.031 -12.491
  188    HA2  GLY  27           2HA      GLY  27  -0.357   7.416 -14.337
  189    HA3  GLY  27           3HA      GLY  27   0.508   5.937 -14.727
  190    H    PHE  28           H        PHE  28  -1.036   4.468 -14.184
  191    HA   PHE  28           HA       PHE  28  -1.722   4.327 -11.328
  192    HB2  PHE  28           HB2      PHE  28  -3.590   3.765 -13.641
  193    HB3  PHE  28           HB3      PHE  28  -3.966   3.490 -11.943
  194    HD1  PHE  28           HD2      PHE  28  -3.891   5.522 -10.383
  195    HD2  PHE  28           HD1      PHE  28  -4.036   5.815 -14.627
  196    HE1  PHE  28           HE2      PHE  28  -4.716   7.831 -10.192
  197    HE2  PHE  28           HE1      PHE  28  -4.861   8.125 -14.442
  198    HZ   PHE  28           HZ       PHE  28  -5.204   9.136 -12.223
  199    H    CYS  29           H        CYS  29  -1.710   2.311 -10.414
  200    HA   CYS  29           HA       CYS  29  -0.226   0.285 -11.782
  201    HB2  CYS  29           HB2      CYS  29  -0.290   0.880  -9.237
  202    HB3  CYS  29           HB3      CYS  29  -1.680  -0.200  -9.203
  203    H    LEU  30           H        LEU  30  -0.948  -1.395 -12.918
  204    HA   LEU  30           HA       LEU  30  -3.675  -2.362 -12.510
  205    HB2  LEU  30           HB2      LEU  30  -2.548  -1.458 -15.153
  206    HB3  LEU  30           HB3      LEU  30  -3.998  -2.447 -14.992
  207    HG   LEU  30           HG       LEU  30  -4.273  -0.108 -13.369
  208   HD11  LEU  30          1HD1      LEU  30  -2.596   0.840 -14.930
  209   HD12  LEU  30          2HD1      LEU  30  -4.171   1.627 -15.023
  210   HD13  LEU  30          3HD1      LEU  30  -3.688   0.474 -16.267
  211   HD21  LEU  30          3HD2      LEU  30  -5.726  -0.617 -15.933
  212   HD22  LEU  30          1HD2      LEU  30  -6.333   0.038 -14.412
  213   HD23  LEU  30          2HD2      LEU  30  -5.964  -1.682 -14.547
  Start of MODEL    9
    1    H1   CYS   1           H        CYS   1   1.825   0.421   0.795
    2    HA   CYS   1           HA       CYS   1   2.912   0.696  -1.196
    3    HB2  CYS   1           HB2      CYS   1   3.144  -1.481  -2.499
    4    HB3  CYS   1           HB3      CYS   1   3.660  -1.519  -0.816
    5    H    ILE   2           H        ILE   2   0.963   2.124  -1.716
    6    HA   ILE   2           HA       ILE   2  -0.428   2.971  -3.305
    7    HB   ILE   2           HB       ILE   2   0.636   0.729  -5.028
    8   HG12  ILE   2          2HG1      ILE   2   2.432   2.167  -4.228
    9   HG13  ILE   2          3HG1      ILE   2   2.143   2.469  -5.938
   10   HG21  ILE   2          1HG2      ILE   2  -1.375   1.545  -5.996
   11   HG22  ILE   2          2HG2      ILE   2  -0.918   3.220  -5.690
   12   HG23  ILE   2          3HG2      ILE   2  -0.041   2.272  -6.891
   13   HD11  ILE   2          3HD1      ILE   2   0.600   4.372  -5.017
   14   HD12  ILE   2          1HD1      ILE   2   1.619   4.209  -3.587
   15   HD13  ILE   2          2HD1      ILE   2   2.344   4.599  -5.148
   16    H    ALA   3           H        ALA   3  -2.518   2.766  -2.860
   17    HA   ALA   3           HA       ALA   3  -3.846   0.378  -2.268
   18    HB1  ALA   3           1HB      ALA   3  -4.475   2.936  -1.925
   19    HB2  ALA   3           HB2      ALA   3  -5.431   2.625  -3.375
   20    HB3  ALA   3           HB3      ALA   3  -5.691   1.659  -1.923
   21    H    HIS   4           H        HIS   4  -5.666  -0.587  -3.459
   22    HA   HIS   4           HA       HIS   4  -4.952  -1.609  -5.911
   23    HB2  HIS   4           HB2      HIS   4  -7.427  -1.499  -4.324
   24    HB3  HIS   4           HB3      HIS   4  -7.680  -1.735  -6.051
   25    HD1  HIS   4           HD1      HIS   4  -5.621  -3.288  -3.254
   26    HD2  HIS   4           HD2      HIS   4  -7.479  -4.321  -6.823
   27    HE1  HIS   4           HE1      HIS   4  -5.348  -5.780  -3.457
   28    H    TYR   5           H        TYR   5  -4.738  -0.731  -7.851
   29    HA   TYR   5           HA       TYR   5  -4.973   0.642  -9.648
   30    HB2  TYR   5           HB2      TYR   5  -7.714   1.391  -8.667
   31    HB3  TYR   5           HB3      TYR   5  -7.145   1.225 -10.324
   32    HD1  TYR   5           HD1      TYR   5  -5.823  -1.435 -10.171
   33    HD2  TYR   5           HD2      TYR   5  -9.528  -0.084  -8.575
   34    HE1  TYR   5           HE1      TYR   5  -6.685  -3.737 -10.241
   35    HE2  TYR   5           HE2      TYR   5 -10.400  -2.383  -8.639
   36    HH   TYR   5           HH       TYR   5  -9.816  -4.532 -10.097
   37    H    GLY   6           H        GLY   6  -3.824   1.700  -7.247
   38    HA2  GLY   6           2HA      GLY   6  -4.762   4.485  -7.222
   39    HA3  GLY   6           3HA      GLY   6  -3.710   3.746  -6.024
   40    H    LYS   7           H        LYS   7  -3.272   6.232  -7.377
   41    HA   LYS   7           HA       LYS   7  -1.376   5.905  -9.473
   42    HB2  LYS   7           HB2      LYS   7  -2.777   8.025  -8.417
   43    HB3  LYS   7           HB3      LYS   7  -1.134   8.358  -7.886
   44    HG2  LYS   7           2HG      LYS   7  -1.398   7.583 -10.707
   45    HG3  LYS   7           3HG      LYS   7  -2.155   9.116 -10.268
   46    HD2  LYS   7           2HD      LYS   7   0.697   8.380  -9.617
   47    HD3  LYS   7           3HD      LYS   7   0.211   9.329 -11.024
   48    HE2  LYS   7           2HE      LYS   7  -0.973  10.842  -9.289
   49    HE3  LYS   7           3HE      LYS   7   0.075  10.045  -8.118
   50    HZ1  LYS   7           3HZ      LYS   7   1.159  12.011  -8.831
   51    HZ2  LYS   7           1HZ      LYS   7   0.902  11.657 -10.465
   52    HZ3  LYS   7           2HZ      LYS   7   1.977  10.720  -9.557
   53    H    CYS   8           H        CYS   8   0.882   6.204  -9.415
   54    HA   CYS   8           HA       CYS   8   2.100   5.742  -6.771
   55    HB2  CYS   8           HB2      CYS   8   3.955   4.627  -8.221
   56    HB3  CYS   8           HB3      CYS   8   2.480   3.730  -7.873
   57    H    ASP   9           H        ASP   9   4.361   6.472  -6.585
   58    HA   ASP   9           HA       ASP   9   4.621   9.172  -7.407
   59    HB2  ASP   9           HB2      ASP   9   5.578   8.342  -5.303
   60    HB3  ASP   9           HB3      ASP   9   6.689   7.317  -6.207
   61    H    GLY  10           H        GLY  10   5.866   6.138  -8.637
   62    HA2  GLY  10           2HA      GLY  10   6.290   6.160 -11.082
   63    HA3  GLY  10           3HA      GLY  10   7.189   7.645 -10.809
   64    H    ILE  11           H        ILE  11   9.036   7.404  -9.188
   65    HA   ILE  11           HA       ILE  11  10.888   5.565 -10.186
   66    HB   ILE  11           HB       ILE  11  11.069   7.758  -8.587
   67   HG12  ILE  11          2HG1      ILE  11  12.824   6.969 -10.062
   68   HG13  ILE  11          3HG1      ILE  11  13.494   7.221  -8.454
   69   HG21  ILE  11          1HG2      ILE  11  11.896   5.457  -6.831
   70   HG22  ILE  11          2HG2      ILE  11  11.915   7.176  -6.441
   71   HG23  ILE  11          3HG2      ILE  11  10.378   6.334  -6.641
   72   HD11  ILE  11          3HD1      ILE  11  14.367   5.193  -9.408
   73   HD12  ILE  11          1HD1      ILE  11  13.327   4.804  -8.038
   74   HD13  ILE  11          2HD1      ILE  11  12.736   4.584  -9.685
   75    H    ILE  12           H        ILE  12   8.529   5.270  -7.667
   76    HA   ILE  12           HA       ILE  12   9.744   2.858  -6.582
   77    HB   ILE  12           HB       ILE  12   7.147   4.220  -5.857
   78   HG12  ILE  12          2HG1      ILE  12   9.078   4.285  -3.769
   79   HG13  ILE  12          3HG1      ILE  12   9.867   4.846  -5.239
   80   HG21  ILE  12          1HG2      ILE  12   6.761   2.116  -5.075
   81   HG22  ILE  12          2HG2      ILE  12   8.476   1.742  -4.912
   82   HG23  ILE  12          3HG2      ILE  12   7.678   2.758  -3.712
   83   HD11  ILE  12          3HD1      ILE  12   8.571   6.709  -5.388
   84   HD12  ILE  12          1HD1      ILE  12   7.200   5.959  -4.570
   85   HD13  ILE  12          2HD1      ILE  12   8.599   6.496  -3.638
   86    H    ASN  13           H        ASN  13   9.590   1.267  -8.103
   87    HA   ASN  13           HA       ASN  13   7.053   0.759  -9.428
   88    HB2  ASN  13           HB2      ASN  13   9.744  -0.607  -9.641
   89    HB3  ASN  13           HB3      ASN  13   8.328  -1.051 -10.588
   90   HD21  ASN  13          1HD2      ASN  13  10.346   1.746  -9.786
   91   HD22  ASN  13          2HD2      ASN  13  10.260   2.474 -11.351
   92    H    GLN  14           H        GLN  14   7.939   0.214  -6.446
   93    HA   GLN  14           HA       GLN  14   7.462  -2.614  -6.189
   94    HB2  GLN  14           HB2      GLN  14   7.749  -0.391  -4.169
   95    HB3  GLN  14           HB3      GLN  14   7.440  -2.062  -3.718
   96    HG2  GLN  14           2HG      GLN  14   9.704  -2.010  -3.527
   97    HG3  GLN  14           3HG      GLN  14   9.551  -2.516  -5.209
   98   HE21  GLN  14          1HE2      GLN  14  10.325  -1.234  -6.792
   99   HE22  GLN  14          2HE2      GLN  14  11.108   0.282  -6.523
  100    H    CYS  15           H        CYS  15   5.375  -2.364  -7.432
  101    HA   CYS  15           HA       CYS  15   3.162  -1.474  -5.721
  102    HB2  CYS  15           HB2      CYS  15   3.393  -0.657  -8.124
  103    HB3  CYS  15           HB3      CYS  15   2.977  -2.295  -8.618
  104    H    CYS  16           H        CYS  16   2.564  -3.073  -4.389
  105    HA   CYS  16           HA       CYS  16   2.862  -5.801  -4.767
  106    HB2  CYS  16           HB2      CYS  16   0.651  -4.455  -3.201
  107    HB3  CYS  16           HB3      CYS  16   1.252  -6.093  -2.969
  108    H    ASP  17           H        ASP  17  -0.241  -4.056  -5.014
  109    HA   ASP  17           HA       ASP  17  -0.986  -5.858  -7.215
  110    HB2  ASP  17           HB2      ASP  17  -2.300  -5.521  -4.613
  111    HB3  ASP  17           HB3      ASP  17  -3.391  -5.357  -5.986
  112    HA   PRO  18           HA       PRO  18  -3.372  -6.047  -7.969
  113    HB2  PRO  18           HB2      PRO  18  -3.876  -5.902 -10.633
  114    HB3  PRO  18           HB3      PRO  18  -4.974  -5.250  -9.411
  115    HG2  PRO  18           2HG      PRO  18  -2.943  -3.826 -11.087
  116    HG3  PRO  18           3HG      PRO  18  -4.599  -3.338 -10.681
  117    HD2  PRO  18           2HD      PRO  18  -2.430  -2.329  -9.413
  118    HD3  PRO  18           3HD      PRO  18  -3.992  -2.556  -8.600
  119    H    TRP  19           H        TRP  19  -1.289  -4.595 -10.480
  120    HA   TRP  19           HA       TRP  19   0.388  -7.010 -10.357
  121    HB2  TRP  19           HB2      TRP  19  -0.525  -5.537 -12.834
  122    HB3  TRP  19           HB3      TRP  19   0.761  -6.741 -12.828
  123    HD1  TRP  19           HD1      TRP  19  -3.006  -6.397 -12.787
  124    HE1  TRP  19           HE1      TRP  19  -4.073  -8.732 -12.972
  125    HE3  TRP  19           HE3      TRP  19   1.184  -9.258 -12.158
  126    HZ2  TRP  19           HZ2      TRP  19  -3.249 -11.429 -12.866
  127    HZ3  TRP  19           HZ3      TRP  19   0.959 -11.707 -12.213
  128    HH2  TRP  19           HH2      TRP  19  -1.213 -12.769 -12.559
  129    H    LEU  20           H        LEU  20   0.870  -4.332 -12.551
  130    HA   LEU  20           HA       LEU  20   3.078  -3.356 -10.871
  131    HB2  LEU  20           HB2      LEU  20   4.181  -2.910 -13.208
  132    HB3  LEU  20           HB3      LEU  20   4.335  -4.473 -12.409
  133    HG   LEU  20           HG       LEU  20   2.521  -5.348 -13.837
  134   HD11  LEU  20          1HD1      LEU  20   2.062  -3.894 -15.914
  135   HD12  LEU  20          2HD1      LEU  20   2.586  -2.550 -14.901
  136   HD13  LEU  20          3HD1      LEU  20   1.201  -3.529 -14.419
  137   HD21  LEU  20          3HD2      LEU  20   4.723  -4.100 -15.470
  138   HD22  LEU  20          1HD2      LEU  20   3.834  -5.584 -15.814
  139   HD23  LEU  20          2HD2      LEU  20   4.941  -5.518 -14.443
  140    H    CYS  21           H        CYS  21   3.783  -1.159 -11.406
  141    HA   CYS  21           HA       CYS  21   1.484   0.500 -12.096
  142    HB2  CYS  21           HB2      CYS  21   3.425   0.707 -10.136
  143    HB3  CYS  21           HB3      CYS  21   3.930   1.901 -11.327
  144    H    THR  22           H        THR  22   1.256   1.296 -14.068
  145    HA   THR  22           HA       THR  22   3.639   2.068 -15.590
  146    HB   THR  22           HB       THR  22   1.675  -0.007 -16.356
  147    HG1  THR  22           HG1      THR  22   4.030  -0.240 -16.012
  148   HG21  THR  22          3HG2      THR  22   2.624   2.112 -18.278
  149   HG22  THR  22          1HG2      THR  22   0.963   1.627 -17.937
  150   HG23  THR  22          2HG2      THR  22   2.045   0.528 -18.792
  151    HA   PRO  23           HA       PRO  23   4.131   3.002 -17.484
  152    HB2  PRO  23           HB2      PRO  23   5.102   5.531 -17.658
  153    HB3  PRO  23           HB3      PRO  23   4.066   4.813 -18.897
  154    HG2  PRO  23           2HG      PRO  23   3.343   6.686 -16.677
  155    HG3  PRO  23           3HG      PRO  23   2.817   6.702 -18.370
  156    HD2  PRO  23           2HD      PRO  23   1.272   5.721 -16.374
  157    HD3  PRO  23           3HD      PRO  23   1.229   5.067 -18.024
  158    HA   PRO  24           HA       PRO  24   6.640   3.191 -13.878
  159    HB2  PRO  24           HB2      PRO  24   9.116   3.696 -14.870
  160    HB3  PRO  24           HB3      PRO  24   8.300   2.141 -15.071
  161    HG2  PRO  24           2HG      PRO  24   8.536   4.419 -16.999
  162    HG3  PRO  24           3HG      PRO  24   8.701   2.679 -17.297
  163    HD2  PRO  24           2HD      PRO  24   6.439   4.049 -17.881
  164    HD3  PRO  24           3HD      PRO  24   6.421   2.348 -17.373
  165    H    ILE  25           H        ILE  25   6.193   5.953 -15.780
  166    HA   ILE  25           HA       ILE  25   7.513   7.650 -13.763
  167    HB   ILE  25           HB       ILE  25   7.343   9.439 -15.600
  168   HG12  ILE  25          2HG1      ILE  25   7.054   6.938 -17.280
  169   HG13  ILE  25          3HG1      ILE  25   5.836   8.194 -17.084
  170   HG21  ILE  25          1HG2      ILE  25   9.301   7.549 -14.940
  171   HG22  ILE  25          2HG2      ILE  25   9.296   7.644 -16.701
  172   HG23  ILE  25          3HG2      ILE  25   9.534   9.103 -15.740
  173   HD11  ILE  25          3HD1      ILE  25   7.252   9.792 -18.201
  174   HD12  ILE  25          1HD1      ILE  25   8.551   8.604 -18.313
  175   HD13  ILE  25          2HD1      ILE  25   7.051   8.359 -19.209
  176    H    ILE  26           H        ILE  26   5.646   7.543 -12.407
  177    HA   ILE  26           HA       ILE  26   3.712   8.361 -11.532
  178    HB   ILE  26           HB       ILE  26   3.966  10.422 -13.726
  179   HG12  ILE  26          2HG1      ILE  26   4.702  11.760 -11.562
  180   HG13  ILE  26          3HG1      ILE  26   5.129  10.152 -10.987
  181   HG21  ILE  26          1HG2      ILE  26   2.641  11.685 -11.769
  182   HG22  ILE  26          2HG2      ILE  26   1.836  10.830 -13.084
  183   HG23  ILE  26          3HG2      ILE  26   2.041  10.046 -11.518
  184   HD11  ILE  26          3HD1      ILE  26   6.732   9.860 -12.662
  185   HD12  ILE  26          1HD1      ILE  26   6.098  11.196 -13.622
  186   HD13  ILE  26          2HD1      ILE  26   6.947  11.521 -12.111
  187    H    GLY  27           H        GLY  27   2.532   6.496 -12.126
  188    HA2  GLY  27           2HA      GLY  27   0.487   7.053 -14.152
  189    HA3  GLY  27           3HA      GLY  27   1.404   5.560 -14.296
  190    H    PHE  28           H        PHE  28  -0.614   4.435 -14.101
  191    HA   PHE  28           HA       PHE  28  -1.544   4.267 -11.311
  192    HB2  PHE  28           HB2      PHE  28  -3.185   3.925 -13.829
  193    HB3  PHE  28           HB3      PHE  28  -3.776   3.655 -12.193
  194    HD1  PHE  28           HD1      PHE  28  -3.930   5.578 -10.615
  195    HD2  PHE  28           HD2      PHE  28  -3.077   6.088 -14.754
  196    HE1  PHE  28           HE1      PHE  28  -4.551   7.953 -10.447
  197    HE2  PHE  28           HE2      PHE  28  -3.695   8.464 -14.592
  198    HZ   PHE  28           HZ       PHE  28  -4.432   9.400 -12.436
  199    H    CYS  29           H        CYS  29  -1.726   2.271 -10.417
  200    HA   CYS  29           HA       CYS  29  -0.398   0.102 -11.749
  201    HB2  CYS  29           HB2      CYS  29  -0.596   0.789  -9.158
  202    HB3  CYS  29           HB3      CYS  29  -1.897  -0.395  -9.234
  203    H    LEU  30           H        LEU  30  -1.272  -1.532 -12.851
  204    HA   LEU  30           HA       LEU  30  -4.030  -2.321 -12.416
  205    HB2  LEU  30           HB2      LEU  30  -4.762  -2.007 -14.649
  206    HB3  LEU  30           HB3      LEU  30  -4.087  -0.476 -14.095
  207    HG   LEU  30           HG       LEU  30  -2.482  -2.396 -15.757
  208   HD11  LEU  30          1HD1      LEU  30  -4.498  -0.362 -16.653
  209   HD12  LEU  30          2HD1      LEU  30  -4.333  -2.046 -17.149
  210   HD13  LEU  30          3HD1      LEU  30  -3.145  -0.852 -17.673
  211   HD21  LEU  30          3HD2      LEU  30  -1.114  -0.757 -14.789
  212   HD22  LEU  30          1HD2      LEU  30  -2.309   0.515 -15.042
  213   HD23  LEU  30          2HD2      LEU  30  -1.439  -0.162 -16.418
  Start of MODEL   10
    1    H1   CYS   1           H        CYS   1   1.619   0.429   0.882
    2    HA   CYS   1           HA       CYS   1   2.728   0.810  -1.085
    3    HB2  CYS   1           HB2      CYS   1   3.095  -1.350  -2.400
    4    HB3  CYS   1           HB3      CYS   1   3.592  -1.356  -0.710
    5    H    ILE   2           H        ILE   2   0.811   2.174  -1.714
    6    HA   ILE   2           HA       ILE   2  -0.555   2.965  -3.354
    7    HB   ILE   2           HB       ILE   2   0.531   0.679  -5.003
    8   HG12  ILE   2          2HG1      ILE   2   2.339   2.094  -4.197
    9   HG13  ILE   2          3HG1      ILE   2   2.082   2.385  -5.914
   10   HG21  ILE   2          1HG2      ILE   2  -1.453   1.521  -6.016
   11   HG22  ILE   2          2HG2      ILE   2  -0.951   3.190  -5.750
   12   HG23  ILE   2          3HG2      ILE   2  -0.085   2.183  -6.910
   13   HD11  ILE   2          3HD1      ILE   2   2.250   4.526  -5.219
   14   HD12  ILE   2          1HD1      ILE   2   0.522   4.304  -4.949
   15   HD13  ILE   2          2HD1      ILE   2   1.650   4.168  -3.600
   16    H    ALA   3           H        ALA   3  -2.646   2.752  -2.915
   17    HA   ALA   3           HA       ALA   3  -3.962   0.359  -2.302
   18    HB1  ALA   3           1HB      ALA   3  -4.605   2.939  -2.025
   19    HB2  ALA   3           HB2      ALA   3  -5.583   2.554  -3.442
   20    HB3  ALA   3           HB3      ALA   3  -5.796   1.640  -1.949
   21    H    HIS   4           H        HIS   4  -5.759  -0.637  -3.496
   22    HA   HIS   4           HA       HIS   4  -5.016  -1.663  -5.941
   23    HB2  HIS   4           HB2      HIS   4  -7.487  -1.604  -4.349
   24    HB3  HIS   4           HB3      HIS   4  -7.746  -1.838  -6.076
   25    HD1  HIS   4           HD1      HIS   4  -5.827  -3.397  -3.203
   26    HD2  HIS   4           HD2      HIS   4  -7.316  -4.382  -6.954
   27    HE1  HIS   4           HE1      HIS   4  -5.462  -5.874  -3.442
   28    H    TYR   5           H        TYR   5  -4.823  -0.792  -7.887
   29    HA   TYR   5           HA       TYR   5  -5.085   0.566  -9.691
   30    HB2  TYR   5           HB2      TYR   5  -7.840   1.267  -8.713
   31    HB3  TYR   5           HB3      TYR   5  -7.268   1.101 -10.370
   32    HD1  TYR   5           HD1      TYR   5  -5.898  -1.531 -10.204
   33    HD2  TYR   5           HD2      TYR   5  -9.623  -0.243  -8.602
   34    HE1  TYR   5           HE1      TYR   5  -6.715  -3.850 -10.256
   35    HE2  TYR   5           HE2      TYR   5 -10.451  -2.558  -8.649
   36    HH   TYR   5           HH       TYR   5  -9.964  -4.662  -9.888
   37    H    GLY   6           H        GLY   6  -3.958   1.660  -7.294
   38    HA2  GLY   6           2HA      GLY   6  -4.952   4.424  -7.281
   39    HA3  GLY   6           3HA      GLY   6  -3.880   3.713  -6.083
   40    H    LYS   7           H        LYS   7  -3.383   6.186  -7.270
   41    HA   LYS   7           HA       LYS   7  -1.588   5.977  -9.468
   42    HB2  LYS   7           HB2      LYS   7  -2.848   8.047  -8.098
   43    HB3  LYS   7           HB3      LYS   7  -1.139   8.292  -7.765
   44    HG2  LYS   7           2HG      LYS   7  -1.851   7.738 -10.573
   45    HG3  LYS   7           3HG      LYS   7  -2.387   9.285  -9.915
   46    HD2  LYS   7           2HD      LYS   7   0.448   8.270  -9.751
   47    HD3  LYS   7           3HD      LYS   7  -0.144   9.349 -11.017
   48    HE2  LYS   7           2HE      LYS   7  -0.943  10.802  -8.999
   49    HE3  LYS   7           3HE      LYS   7   0.260   9.876  -8.103
   50    HZ1  LYS   7           3HZ      LYS   7   1.222  11.904  -8.942
   51    HZ2  LYS   7           1HZ      LYS   7   0.764  11.520 -10.525
   52    HZ3  LYS   7           2HZ      LYS   7   1.927  10.584  -9.730
   53    H    CYS   8           H        CYS   8   0.679   6.205  -9.487
   54    HA   CYS   8           HA       CYS   8   1.991   5.496  -6.945
   55    HB2  CYS   8           HB2      CYS   8   3.748   4.464  -8.591
   56    HB3  CYS   8           HB3      CYS   8   2.286   3.567  -8.193
   57    H    ASP   9           H        ASP   9   4.266   6.157  -6.782
   58    HA   ASP   9           HA       ASP   9   4.581   8.900  -7.449
   59    HB2  ASP   9           HB2      ASP   9   6.434   6.852  -6.238
   60    HB3  ASP   9           HB3      ASP   9   6.937   8.514  -6.535
   61    H    GLY  10           H        GLY  10   5.795   5.899  -8.817
   62    HA2  GLY  10           2HA      GLY  10   6.192   5.969 -11.253
   63    HA3  GLY  10           3HA      GLY  10   7.033   7.488 -10.980
   64    H    ILE  11           H        ILE  11   8.931   7.314  -9.420
   65    HA   ILE  11           HA       ILE  11  10.825   5.548 -10.477
   66    HB   ILE  11           HB       ILE  11  10.968   7.753  -8.890
   67   HG12  ILE  11          2HG1      ILE  11  12.705   7.031 -10.419
   68   HG13  ILE  11          3HG1      ILE  11  13.416   7.316  -8.835
   69   HG21  ILE  11          1HG2      ILE  11  10.398   6.309  -6.920
   70   HG22  ILE  11          2HG2      ILE  11  11.943   5.494  -7.157
   71   HG23  ILE  11          3HG2      ILE  11  11.904   7.214  -6.770
   72   HD11  ILE  11          3HD1      ILE  11  12.723   4.645 -10.032
   73   HD12  ILE  11          1HD1      ILE  11  14.338   5.320  -9.814
   74   HD13  ILE  11          2HD1      ILE  11  13.361   4.896  -8.407
   75    H    ILE  12           H        ILE  12   8.559   5.170  -7.885
   76    HA   ILE  12           HA       ILE  12   9.902   2.813  -6.831
   77    HB   ILE  12           HB       ILE  12   7.212   3.904  -6.015
   78   HG12  ILE  12          2HG1      ILE  12   9.950   4.548  -4.898
   79   HG13  ILE  12          3HG1      ILE  12   8.903   5.659  -5.776
   80   HG21  ILE  12          1HG2      ILE  12   7.152   2.205  -4.591
   81   HG22  ILE  12          2HG2      ILE  12   8.632   1.578  -5.314
   82   HG23  ILE  12          3HG2      ILE  12   8.720   2.665  -3.928
   83   HD11  ILE  12          3HD1      ILE  12   8.808   4.777  -2.976
   84   HD12  ILE  12          1HD1      ILE  12   8.332   6.309  -3.707
   85   HD13  ILE  12          2HD1      ILE  12   7.250   4.918  -3.789
   86    H    ASN  13           H        ASN  13   9.752   1.151  -8.247
   87    HA   ASN  13           HA       ASN  13   7.242   0.574  -9.587
   88    HB2  ASN  13           HB2      ASN  13   9.949  -0.771  -9.680
   89    HB3  ASN  13           HB3      ASN  13   8.553  -1.310 -10.609
   90   HD21  ASN  13          1HD2      ASN  13  10.532   1.557  -9.987
   91   HD22  ASN  13          2HD2      ASN  13  10.435   2.186 -11.593
   92    H    GLN  14           H        GLN  14   8.082   0.157  -6.563
   93    HA   GLN  14           HA       GLN  14   7.567  -2.654  -6.197
   94    HB2  GLN  14           HB2      GLN  14   7.899  -0.350  -4.281
   95    HB3  GLN  14           HB3      GLN  14   7.515  -1.980  -3.744
   96    HG2  GLN  14           2HG      GLN  14   9.769  -2.045  -3.533
   97    HG3  GLN  14           3HG      GLN  14   9.628  -2.579  -5.207
   98   HE21  GLN  14          1HE2      GLN  14  10.574  -1.418  -6.766
   99   HE22  GLN  14          2HE2      GLN  14  11.382   0.090  -6.524
  100    H    CYS  15           H        CYS  15   5.493  -2.420  -7.468
  101    HA   CYS  15           HA       CYS  15   3.282  -1.440  -5.803
  102    HB2  CYS  15           HB2      CYS  15   3.640  -0.800  -8.311
  103    HB3  CYS  15           HB3      CYS  15   2.956  -2.391  -8.630
  104    H    CYS  16           H        CYS  16   2.650  -2.993  -4.431
  105    HA   CYS  16           HA       CYS  16   2.902  -5.738  -4.753
  106    HB2  CYS  16           HB2      CYS  16   0.729  -4.333  -3.189
  107    HB3  CYS  16           HB3      CYS  16   1.334  -5.964  -2.920
  108    H    ASP  17           H        ASP  17  -0.164  -3.928  -4.997
  109    HA   ASP  17           HA       ASP  17  -0.974  -5.744  -7.162
  110    HB2  ASP  17           HB2      ASP  17  -3.359  -5.329  -5.990
  111    HB3  ASP  17           HB3      ASP  17  -2.326  -6.702  -5.601
  112    HA   PRO  18           HA       PRO  18  -3.368  -5.912  -7.881
  113    HB2  PRO  18           HB2      PRO  18  -3.909  -5.774 -10.538
  114    HB3  PRO  18           HB3      PRO  18  -4.982  -5.105  -9.303
  115    HG2  PRO  18           2HG      PRO  18  -2.962  -3.708 -11.015
  116    HG3  PRO  18           3HG      PRO  18  -4.608  -3.203 -10.587
  117    HD2  PRO  18           2HD      PRO  18  -2.412  -2.209  -9.354
  118    HD3  PRO  18           3HD      PRO  18  -3.964  -2.418  -8.518
  119    H    TRP  19           H        TRP  19  -1.309  -4.492 -10.429
  120    HA   TRP  19           HA       TRP  19   0.330  -6.936 -10.336
  121    HB2  TRP  19           HB2      TRP  19  -0.568  -5.402 -12.781
  122    HB3  TRP  19           HB3      TRP  19   0.704  -6.620 -12.806
  123    HD1  TRP  19           HD1      TRP  19  -3.058  -6.235 -12.737
  124    HE1  TRP  19           HE1      TRP  19  -4.153  -8.553 -12.964
  125    HE3  TRP  19           HE3      TRP  19   1.103  -9.155 -12.190
  126    HZ2  TRP  19           HZ2      TRP  19  -3.358 -11.261 -12.917
  127    HZ3  TRP  19           HZ3      TRP  19   0.849 -11.600 -12.293
  128    HH2  TRP  19           HH2      TRP  19  -1.336 -12.630 -12.648
  129    H    LEU  20           H        LEU  20   0.876  -4.245 -12.494
  130    HA   LEU  20           HA       LEU  20   3.094  -3.328 -10.795
  131    HB2  LEU  20           HB2      LEU  20   4.250  -2.906 -13.095
  132    HB3  LEU  20           HB3      LEU  20   4.319  -4.495 -12.335
  133    HG   LEU  20           HG       LEU  20   2.504  -5.257 -13.817
  134   HD11  LEU  20          1HD1      LEU  20   1.196  -3.604 -14.591
  135   HD12  LEU  20          2HD1      LEU  20   2.384  -3.526 -15.892
  136   HD13  LEU  20          3HD1      LEU  20   2.490  -2.407 -14.533
  137   HD21  LEU  20          3HD2      LEU  20   3.832  -5.327 -15.874
  138   HD22  LEU  20          1HD2      LEU  20   4.825  -5.633 -14.449
  139   HD23  LEU  20          2HD2      LEU  20   4.880  -4.058 -15.240
  140    H    CYS  21           H        CYS  21   3.859  -1.147 -11.329
  141    HA   CYS  21           HA       CYS  21   1.603   0.577 -11.967
  142    HB2  CYS  21           HB2      CYS  21   2.690   1.307 -10.028
  143    HB3  CYS  21           HB3      CYS  21   4.290   1.007 -10.698
  144    H    THR  22           H        THR  22   1.299   1.347 -13.939
  145    HA   THR  22           HA       THR  22   3.616   2.061 -15.581
  146    HB   THR  22           HB       THR  22   1.611  -0.021 -16.231
  147    HG1  THR  22           HG1      THR  22   3.973  -0.273 -15.935
  148   HG21  THR  22          3HG2      THR  22   2.541   2.037 -18.227
  149   HG22  THR  22          1HG2      THR  22   0.884   1.578 -17.839
  150   HG23  THR  22          2HG2      THR  22   1.936   0.447 -18.689
  151    HA   PRO  23           HA       PRO  23   4.044   2.970 -17.491
  152    HB2  PRO  23           HB2      PRO  23   4.996   5.501 -17.735
  153    HB3  PRO  23           HB3      PRO  23   3.928   4.757 -18.931
  154    HG2  PRO  23           2HG      PRO  23   3.261   6.662 -16.721
  155    HG3  PRO  23           3HG      PRO  23   2.684   6.648 -18.398
  156    HD2  PRO  23           2HD      PRO  23   1.205   5.693 -16.340
  157    HD3  PRO  23           3HD      PRO  23   1.117   5.011 -17.977
  158    HA   PRO  24           HA       PRO  24   6.653   3.226 -13.961
  159    HB2  PRO  24           HB2      PRO  24   9.099   3.707 -15.035
  160    HB3  PRO  24           HB3      PRO  24   8.276   2.149 -15.179
  161    HG2  PRO  24           2HG      PRO  24   8.457   4.387 -17.160
  162    HG3  PRO  24           3HG      PRO  24   8.612   2.641 -17.427
  163    HD2  PRO  24           2HD      PRO  24   6.336   4.002 -17.973
  164    HD3  PRO  24           3HD      PRO  24   6.331   2.312 -17.430
  165    H    ILE  25           H        ILE  25   6.158   5.949 -15.909
  166    HA   ILE  25           HA       ILE  25   7.535   7.685 -13.965
  167    HB   ILE  25           HB       ILE  25   6.799   8.331 -16.822
  168   HG12  ILE  25          2HG1      ILE  25   9.549   7.939 -15.631
  169   HG13  ILE  25          3HG1      ILE  25   8.678   6.677 -16.496
  170   HG21  ILE  25          1HG2      ILE  25   8.320  10.316 -16.357
  171   HG22  ILE  25          2HG2      ILE  25   6.723  10.344 -15.610
  172   HG23  ILE  25          3HG2      ILE  25   8.139   9.915 -14.650
  173   HD11  ILE  25          3HD1      ILE  25  10.302   8.767 -17.531
  174   HD12  ILE  25          1HD1      ILE  25   9.511   7.446 -18.389
  175   HD13  ILE  25          2HD1      ILE  25   8.657   8.969 -18.135
  176    H    ILE  26           H        ILE  26   5.655   7.519 -12.585
  177    HA   ILE  26           HA       ILE  26   3.733   8.335 -11.679
  178    HB   ILE  26           HB       ILE  26   4.008  10.462 -13.806
  179   HG12  ILE  26          2HG1      ILE  26   4.788  11.715 -11.606
  180   HG13  ILE  26          3HG1      ILE  26   5.197  10.081 -11.092
  181   HG21  ILE  26          1HG2      ILE  26   1.940  11.002 -13.136
  182   HG22  ILE  26          2HG2      ILE  26   2.041   9.994 -11.693
  183   HG23  ILE  26          3HG2      ILE  26   2.736  11.614 -11.687
  184   HD11  ILE  26          3HD1      ILE  26   6.879   9.878 -12.613
  185   HD12  ILE  26          1HD1      ILE  26   6.133  10.993 -13.756
  186   HD13  ILE  26          2HD1      ILE  26   6.939  11.615 -12.315
  187    H    GLY  27           H        GLY  27   2.203   6.822 -12.064
  188    HA2  GLY  27           2HA      GLY  27   0.273   7.382 -14.141
  189    HA3  GLY  27           3HA      GLY  27   1.144   5.872 -14.364
  190    H    PHE  28           H        PHE  28  -0.604   4.529 -14.070
  191    HA   PHE  28           HA       PHE  28  -1.636   4.419 -11.318
  192    HB2  PHE  28           HB2      PHE  28  -3.228   4.027 -13.861
  193    HB3  PHE  28           HB3      PHE  28  -3.833   3.700 -12.240
  194    HD1  PHE  28           HD2      PHE  28  -4.087   5.587 -10.627
  195    HD2  PHE  28           HD1      PHE  28  -3.208   6.207 -14.746
  196    HE1  PHE  28           HE2      PHE  28  -4.812   7.929 -10.426
  197    HE2  PHE  28           HE1      PHE  28  -3.931   8.551 -14.551
  198    HZ   PHE  28           HZ       PHE  28  -4.735   9.414 -12.389
  199    H    CYS  29           H        CYS  29  -1.749   2.427 -10.407
  200    HA   CYS  29           HA       CYS  29  -0.342   0.292 -11.711
  201    HB2  CYS  29           HB2      CYS  29  -0.557   0.996  -9.132
  202    HB3  CYS  29           HB3      CYS  29  -1.833  -0.216  -9.191
  203    H    LEU  30           H        LEU  30  -1.157  -1.382 -12.800
  204    HA   LEU  30           HA       LEU  30  -3.898  -2.241 -12.370
  205    HB2  LEU  30           HB2      LEU  30  -4.683  -1.896 -14.527
  206    HB3  LEU  30           HB3      LEU  30  -3.823  -0.404 -14.150
  207    HG   LEU  30           HG       LEU  30  -2.706  -2.655 -15.820
  208   HD11  LEU  30          1HD1      LEU  30  -4.218  -0.177 -16.528
  209   HD12  LEU  30          2HD1      LEU  30  -4.368  -1.809 -17.180
  210   HD13  LEU  30          3HD1      LEU  30  -2.986  -0.807 -17.622
  211   HD21  LEU  30          3HD2      LEU  30  -1.715   0.109 -15.152
  212   HD22  LEU  30          1HD2      LEU  30  -1.067  -0.870 -16.468
  213   HD23  LEU  30          2HD2      LEU  30  -0.935  -1.435 -14.803
  Start of MODEL   11
    1    H1   CYS   1           H        CYS   1   1.932  -0.145   0.824
    2    HA   CYS   1           HA       CYS   1   2.952   0.687  -1.211
    3    HB2  CYS   1           HB2      CYS   1   3.248  -1.501  -2.494
    4    HB3  CYS   1           HB3      CYS   1   3.729  -1.507  -0.800
    5    H    ILE   2           H        ILE   2   1.072   2.106  -1.855
    6    HA   ILE   2           HA       ILE   2  -0.266   2.923  -3.505
    7    HB   ILE   2           HB       ILE   2   0.765   0.604  -5.143
    8   HG12  ILE   2          2HG1      ILE   2   2.577   2.026  -4.251
    9   HG13  ILE   2          3HG1      ILE   2   2.430   2.169  -5.999
   10   HG21  ILE   2          1HG2      ILE   2  -0.678   3.141  -5.865
   11   HG22  ILE   2          2HG2      ILE   2   0.241   2.200  -7.039
   12   HG23  ILE   2          3HG2      ILE   2  -1.144   1.477  -6.220
   13   HD11  ILE   2          3HD1      ILE   2   2.332   4.360  -5.757
   14   HD12  ILE   2          1HD1      ILE   2   0.797   4.170  -4.911
   15   HD13  ILE   2          2HD1      ILE   2   2.307   4.203  -4.001
   16    H    ALA   3           H        ALA   3  -2.361   2.757  -3.052
   17    HA   ALA   3           HA       ALA   3  -3.737   0.394  -2.459
   18    HB1  ALA   3           1HB      ALA   3  -5.357   2.576  -3.581
   19    HB2  ALA   3           HB2      ALA   3  -5.492   1.736  -2.035
   20    HB3  ALA   3           HB3      ALA   3  -4.309   3.028  -2.236
   21    H    HIS   4           H        HIS   4  -5.547  -0.561  -3.659
   22    HA   HIS   4           HA       HIS   4  -4.826  -1.579  -6.115
   23    HB2  HIS   4           HB2      HIS   4  -7.276  -1.509  -4.503
   24    HB3  HIS   4           HB3      HIS   4  -7.571  -1.683  -6.230
   25    HD1  HIS   4           HD1      HIS   4  -5.578  -3.362  -3.471
   26    HD2  HIS   4           HD2      HIS   4  -7.275  -4.219  -7.165
   27    HE1  HIS   4           HE1      HIS   4  -5.289  -5.841  -3.784
   28    H    TYR   5           H        TYR   5  -4.618  -0.691  -8.051
   29    HA   TYR   5           HA       TYR   5  -4.859   0.689  -9.842
   30    HB2  TYR   5           HB2      TYR   5  -7.605   1.417  -8.857
   31    HB3  TYR   5           HB3      TYR   5  -7.034   1.265 -10.515
   32    HD1  TYR   5           HD1      TYR   5  -5.694  -1.389 -10.372
   33    HD2  TYR   5           HD2      TYR   5  -9.411  -0.069  -8.777
   34    HE1  TYR   5           HE1      TYR   5  -6.542  -3.696 -10.455
   35    HE2  TYR   5           HE2      TYR   5 -10.269  -2.373  -8.854
   36    HH   TYR   5           HH       TYR   5  -8.793  -4.887  -8.854
   37    H    GLY   6           H        GLY   6  -3.707   1.745  -7.447
   38    HA2  GLY   6           2HA      GLY   6  -4.688   4.504  -7.334
   39    HA3  GLY   6           3HA      GLY   6  -3.533   3.772  -6.230
   40    H    LYS   7           H        LYS   7  -3.042   6.255  -7.262
   41    HA   LYS   7           HA       LYS   7  -1.470   6.194  -9.633
   42    HB2  LYS   7           HB2      LYS   7  -2.472   8.163  -7.876
   43    HB3  LYS   7           HB3      LYS   7  -0.724   8.357  -7.889
   44    HG2  LYS   7           2HG      LYS   7  -1.859   7.990 -10.547
   45    HG3  LYS   7           3HG      LYS   7  -2.469   9.419  -9.710
   46    HD2  LYS   7           2HD      LYS   7   0.454   8.743 -10.026
   47    HD3  LYS   7           3HD      LYS   7  -0.435   9.845 -11.080
   48    HE2  LYS   7           2HE      LYS   7  -1.065  11.029  -8.847
   49    HE3  LYS   7           3HE      LYS   7   0.336  10.170  -8.209
   50    HZ1  LYS   7           3HZ      LYS   7   1.730  11.221  -9.826
   51    HZ2  LYS   7           1HZ      LYS   7   0.850  12.424  -9.026
   52    HZ3  LYS   7           2HZ      LYS   7   0.404  11.947 -10.586
   53    H    CYS   8           H        CYS   8   0.802   6.424  -9.835
   54    HA   CYS   8           HA       CYS   8   2.311   5.395  -7.521
   55    HB2  CYS   8           HB2      CYS   8   2.068   4.345 -10.159
   56    HB3  CYS   8           HB3      CYS   8   3.723   4.906  -9.951
   57    H    ASP   9           H        ASP   9   4.409   6.197  -7.178
   58    HA   ASP   9           HA       ASP   9   4.743   8.950  -7.880
   59    HB2  ASP   9           HB2      ASP   9   6.358   6.980  -6.282
   60    HB3  ASP   9           HB3      ASP   9   6.998   8.576  -6.664
   61    H    GLY  10           H        GLY  10   6.157   5.907  -8.920
   62    HA2  GLY  10           2HA      GLY  10   6.869   5.906 -11.299
   63    HA3  GLY  10           3HA      GLY  10   7.705   7.410 -10.941
   64    H    ILE  11           H        ILE  11   9.360   7.230  -9.130
   65    HA   ILE  11           HA       ILE  11  11.332   5.388  -9.864
   66    HB   ILE  11           HB       ILE  11  11.310   7.630  -8.321
   67   HG12  ILE  11          2HG1      ILE  11  13.222   6.828  -9.579
   68   HG13  ILE  11          3HG1      ILE  11  13.714   7.139  -7.918
   69   HG21  ILE  11          1HG2      ILE  11  11.929   7.120  -6.081
   70   HG22  ILE  11          2HG2      ILE  11  10.434   6.250  -6.420
   71   HG23  ILE  11          3HG2      ILE  11  11.974   5.390  -6.423
   72   HD11  ILE  11          3HD1      ILE  11  14.710   5.098  -8.719
   73   HD12  ILE  11          1HD1      ILE  11  13.545   4.736  -7.445
   74   HD13  ILE  11          2HD1      ILE  11  13.122   4.452  -9.134
   75    H    ILE  12           H        ILE  12   8.708   5.133  -7.620
   76    HA   ILE  12           HA       ILE  12   9.823   2.734  -6.385
   77    HB   ILE  12           HB       ILE  12   7.126   3.951  -5.817
   78   HG12  ILE  12          2HG1      ILE  12   9.802   4.610  -4.570
   79   HG13  ILE  12          3HG1      ILE  12   8.778   5.702  -5.496
   80   HG21  ILE  12          1HG2      ILE  12   8.847   2.466  -3.878
   81   HG22  ILE  12          2HG2      ILE  12   7.095   2.658  -3.903
   82   HG23  ILE  12          3HG2      ILE  12   7.881   1.583  -5.059
   83   HD11  ILE  12          3HD1      ILE  12   8.290   6.348  -3.364
   84   HD12  ILE  12          1HD1      ILE  12   7.031   5.143  -3.631
   85   HD13  ILE  12          2HD1      ILE  12   8.474   4.721  -2.709
   86    H    ASN  13           H        ASN  13   9.738   1.196  -7.999
   87    HA   ASN  13           HA       ASN  13   7.233   0.698  -9.384
   88    HB2  ASN  13           HB2      ASN  13   9.945  -0.631  -9.556
   89    HB3  ASN  13           HB3      ASN  13   8.552  -1.111 -10.521
   90   HD21  ASN  13          1HD2      ASN  13  10.552   1.693  -9.722
   91   HD22  ASN  13          2HD2      ASN  13  10.447   2.431 -11.281
   92    H    GLN  14           H        GLN  14   8.075   0.097  -6.390
   93    HA   GLN  14           HA       GLN  14   7.564  -2.734  -6.204
   94    HB2  GLN  14           HB2      GLN  14   7.933  -0.551  -4.161
   95    HB3  GLN  14           HB3      GLN  14   7.501  -2.194  -3.705
   96    HG2  GLN  14           2HG      GLN  14   9.751  -2.338  -3.498
   97    HG3  GLN  14           3HG      GLN  14   9.599  -2.778  -5.198
   98   HE21  GLN  14          1HE2      GLN  14  10.683  -1.629  -6.651
   99   HE22  GLN  14          2HE2      GLN  14  11.495  -0.136  -6.344
  100    H    CYS  15           H        CYS  15   5.484  -2.413  -7.450
  101    HA   CYS  15           HA       CYS  15   3.279  -1.512  -5.739
  102    HB2  CYS  15           HB2      CYS  15   3.468  -0.652  -8.092
  103    HB3  CYS  15           HB3      CYS  15   3.177  -2.294  -8.658
  104    H    CYS  16           H        CYS  16   2.656  -3.102  -4.407
  105    HA   CYS  16           HA       CYS  16   2.908  -5.837  -4.801
  106    HB2  CYS  16           HB2      CYS  16   0.735  -4.474  -3.200
  107    HB3  CYS  16           HB3      CYS  16   1.338  -6.112  -2.975
  108    H    ASP  17           H        ASP  17  -0.157  -4.022  -5.003
  109    HA   ASP  17           HA       ASP  17  -0.973  -5.804  -7.196
  110    HB2  ASP  17           HB2      ASP  17  -3.359  -5.365  -6.035
  111    HB3  ASP  17           HB3      ASP  17  -2.345  -6.752  -5.646
  112    HA   PRO  18           HA       PRO  18  -3.363  -5.936  -7.932
  113    HB2  PRO  18           HB2      PRO  18  -3.884  -5.775 -10.591
  114    HB3  PRO  18           HB3      PRO  18  -4.957  -5.100  -9.360
  115    HG2  PRO  18           2HG      PRO  18  -2.908  -3.719 -11.049
  116    HG3  PRO  18           3HG      PRO  18  -4.550  -3.196 -10.630
  117    HD2  PRO  18           2HD      PRO  18  -2.350  -2.236  -9.375
  118    HD3  PRO  18           3HD      PRO  18  -3.910  -2.431  -8.551
  119    H    TRP  19           H        TRP  19  -1.270  -4.527 -10.459
  120    HA   TRP  19           HA       TRP  19   0.348  -6.984 -10.359
  121    HB2  TRP  19           HB2      TRP  19  -0.538  -5.463 -12.816
  122    HB3  TRP  19           HB3      TRP  19   0.721  -6.694 -12.830
  123    HD1  TRP  19           HD1      TRP  19  -3.036  -6.269 -12.768
  124    HE1  TRP  19           HE1      TRP  19  -4.155  -8.578 -12.975
  125    HE3  TRP  19           HE3      TRP  19   1.093  -9.227 -12.189
  126    HZ2  TRP  19           HZ2      TRP  19  -3.389 -11.293 -12.902
  127    HZ3  TRP  19           HZ3      TRP  19   0.814 -11.670 -12.270
  128    HH2  TRP  19           HH2      TRP  19  -1.381 -12.680 -12.618
  129    H    LEU  20           H        LEU  20   0.918  -4.327 -12.547
  130    HA   LEU  20           HA       LEU  20   3.129  -3.391 -10.848
  131    HB2  LEU  20           HB2      LEU  20   4.339  -3.032 -13.109
  132    HB3  LEU  20           HB3      LEU  20   4.330  -4.631 -12.368
  133    HG   LEU  20           HG       LEU  20   2.451  -5.243 -13.901
  134   HD11  LEU  20          1HD1      LEU  20   2.836  -2.432 -14.690
  135   HD12  LEU  20          2HD1      LEU  20   1.396  -3.447 -14.756
  136   HD13  LEU  20          3HD1      LEU  20   2.628  -3.582 -16.011
  137   HD21  LEU  20          3HD2      LEU  20   5.221  -4.610 -14.737
  138   HD22  LEU  20          1HD2      LEU  20   4.067  -5.012 -16.009
  139   HD23  LEU  20          2HD2      LEU  20   4.369  -6.155 -14.700
  140    H    CYS  21           H        CYS  21   3.909  -1.225 -11.415
  141    HA   CYS  21           HA       CYS  21   1.669   0.494 -12.127
  142    HB2  CYS  21           HB2      CYS  21   4.231   0.834 -10.656
  143    HB3  CYS  21           HB3      CYS  21   3.591   2.248 -11.487
  144    H    THR  22           H        THR  22   1.450   1.422 -14.048
  145    HA   THR  22           HA       THR  22   3.811   1.998 -15.670
  146    HB   THR  22           HB       THR  22   1.668   0.063 -16.402
  147    HG1  THR  22           HG1      THR  22   3.964  -0.423 -15.924
  148   HG21  THR  22          3HG2      THR  22   2.229   0.468 -18.829
  149   HG22  THR  22          1HG2      THR  22   2.953   1.995 -18.327
  150   HG23  THR  22          2HG2      THR  22   1.232   1.707 -18.067
  151    HA   PRO  23           HA       PRO  23   4.358   2.956 -17.488
  152    HB2  PRO  23           HB2      PRO  23   5.401   5.459 -17.612
  153    HB3  PRO  23           HB3      PRO  23   4.370   4.784 -18.879
  154    HG2  PRO  23           2HG      PRO  23   3.656   6.650 -16.649
  155    HG3  PRO  23           3HG      PRO  23   3.163   6.701 -18.352
  156    HD2  PRO  23           2HD      PRO  23   1.555   5.739 -16.397
  157    HD3  PRO  23           3HD      PRO  23   1.525   5.106 -18.055
  158    HA   PRO  24           HA       PRO  24   6.821   3.044 -13.846
  159    HB2  PRO  24           HB2      PRO  24   9.318   3.550 -14.782
  160    HB3  PRO  24           HB3      PRO  24   8.492   2.008 -15.035
  161    HG2  PRO  24           2HG      PRO  24   8.783   4.330 -16.902
  162    HG3  PRO  24           3HG      PRO  24   8.937   2.596 -17.240
  163    HD2  PRO  24           2HD      PRO  24   6.699   4.001 -17.830
  164    HD3  PRO  24           3HD      PRO  24   6.656   2.289 -17.364
  165    H    ILE  25           H        ILE  25   6.365   5.852 -15.644
  166    HA   ILE  25           HA       ILE  25   7.968   7.540 -13.882
  167    HB   ILE  25           HB       ILE  25   6.190   8.480 -16.124
  168   HG12  ILE  25          2HG1      ILE  25   9.096   7.647 -16.269
  169   HG13  ILE  25          3HG1      ILE  25   7.744   6.801 -17.014
  170   HG21  ILE  25          1HG2      ILE  25   6.931  10.503 -15.592
  171   HG22  ILE  25          2HG2      ILE  25   7.744   9.802 -14.194
  172   HG23  ILE  25          3HG2      ILE  25   8.605   9.965 -15.724
  173   HD11  ILE  25          3HD1      ILE  25   9.038   9.365 -17.790
  174   HD12  ILE  25          1HD1      ILE  25   8.585   7.981 -18.785
  175   HD13  ILE  25          2HD1      ILE  25   7.345   9.089 -18.197
  176    H    ILE  26           H        ILE  26   4.651   7.839 -15.155
  177    HA   ILE  26           HA       ILE  26   3.585   8.115 -12.475
  178    HB   ILE  26           HB       ILE  26   3.671  10.415 -14.409
  179   HG12  ILE  26          2HG1      ILE  26   4.003  11.428 -11.913
  180   HG13  ILE  26          3HG1      ILE  26   4.666   9.813 -11.690
  181   HG21  ILE  26          1HG2      ILE  26   2.045  11.461 -12.665
  182   HG22  ILE  26          2HG2      ILE  26   1.409  10.454 -13.964
  183   HG23  ILE  26          3HG2      ILE  26   1.607   9.783 -12.345
  184   HD11  ILE  26          3HD1      ILE  26   6.544  10.392 -12.699
  185   HD12  ILE  26          1HD1      ILE  26   5.666  10.968 -14.116
  186   HD13  ILE  26          2HD1      ILE  26   5.946  12.050 -12.751
  187    H    GLY  27           H        GLY  27   1.850   6.855 -12.509
  188    HA2  GLY  27           2HA      GLY  27  -0.288   7.299 -14.351
  189    HA3  GLY  27           3HA      GLY  27   0.575   5.812 -14.717
  190    H    PHE  28           H        PHE  28  -1.014   4.376 -14.185
  191    HA   PHE  28           HA       PHE  28  -1.704   4.249 -11.329
  192    HB2  PHE  28           HB2      PHE  28  -3.585   3.692 -13.632
  193    HB3  PHE  28           HB3      PHE  28  -3.963   3.477 -11.926
  194    HD1  PHE  28           HD2      PHE  28  -3.844   5.549 -10.427
  195    HD2  PHE  28           HD1      PHE  28  -3.975   5.725 -14.678
  196    HE1  PHE  28           HE2      PHE  28  -4.614   7.882 -10.303
  197    HE2  PHE  28           HE1      PHE  28  -4.744   8.059 -14.561
  198    HZ   PHE  28           HZ       PHE  28  -5.065   9.140 -12.372
  199    H    CYS  29           H        CYS  29  -1.733   2.233 -10.414
  200    HA   CYS  29           HA       CYS  29  -0.281   0.181 -11.777
  201    HB2  CYS  29           HB2      CYS  29  -0.402   0.796  -9.214
  202    HB3  CYS  29           HB3      CYS  29  -1.748  -0.339  -9.222
  203    H    LEU  30           H        LEU  30  -1.029  -1.484 -12.919
  204    HA   LEU  30           HA       LEU  30  -3.773  -2.405 -12.520
  205    HB2  LEU  30           HB2      LEU  30  -2.626  -1.504 -15.155
  206    HB3  LEU  30           HB3      LEU  30  -4.086  -2.480 -15.007
  207    HG   LEU  30           HG       LEU  30  -4.336  -0.140 -13.373
  208   HD11  LEU  30          1HD1      LEU  30  -3.751   0.427 -16.274
  209   HD12  LEU  30          2HD1      LEU  30  -2.664   0.799 -14.937
  210   HD13  LEU  30          3HD1      LEU  30  -4.237   1.589 -15.039
  211   HD21  LEU  30          3HD2      LEU  30  -6.029  -1.720 -14.588
  212   HD22  LEU  30          1HD2      LEU  30  -5.820  -0.586 -15.922
  213   HD23  LEU  30          2HD2      LEU  30  -6.408  -0.012 -14.361
  Start of MODEL   12
    1    H1   CYS   1           H        CYS   1   1.489   0.967   1.285
    2    HA   CYS   1           HA       CYS   1   2.572   0.455  -0.683
    3    HB2  CYS   1           HB2      CYS   1   2.247  -1.701   0.617
    4    HB3  CYS   1           HB3      CYS   1   0.909  -2.055  -0.471
    5    H    ILE   2           H        ILE   2   0.595   2.133  -1.386
    6    HA   ILE   2           HA       ILE   2  -0.618   2.856  -3.170
    7    HB   ILE   2           HB       ILE   2   0.474   0.424  -4.590
    8   HG12  ILE   2          2HG1      ILE   2   2.277   1.805  -3.664
    9   HG13  ILE   2          3HG1      ILE   2   2.231   1.930  -5.419
   10   HG21  ILE   2          1HG2      ILE   2   0.154   1.953  -6.598
   11   HG22  ILE   2          2HG2      ILE   2  -1.302   1.273  -5.873
   12   HG23  ILE   2          3HG2      ILE   2  -0.851   2.946  -5.542
   13   HD11  ILE   2          3HD1      ILE   2   1.339   3.951  -3.391
   14   HD12  ILE   2          1HD1      ILE   2   2.606   4.103  -4.608
   15   HD13  ILE   2          2HD1      ILE   2   0.912   4.057  -5.099
   16    H    ALA   3           H        ALA   3  -2.739   2.736  -2.825
   17    HA   ALA   3           HA       ALA   3  -4.178   0.402  -2.232
   18    HB1  ALA   3           1HB      ALA   3  -5.523   2.760  -3.476
   19    HB2  ALA   3           HB2      ALA   3  -6.057   1.733  -2.145
   20    HB3  ALA   3           HB3      ALA   3  -4.775   2.916  -1.886
   21    H    HIS   4           H        HIS   4  -5.926  -0.565  -3.502
   22    HA   HIS   4           HA       HIS   4  -5.096  -1.636  -5.899
   23    HB2  HIS   4           HB2      HIS   4  -7.623  -1.513  -4.413
   24    HB3  HIS   4           HB3      HIS   4  -7.831  -1.722  -6.149
   25    HD1  HIS   4           HD1      HIS   4  -6.057  -3.366  -3.231
   26    HD2  HIS   4           HD2      HIS   4  -7.449  -4.270  -7.040
   27    HE1  HIS   4           HE1      HIS   4  -5.759  -5.851  -3.484
   28    H    TYR   5           H        TYR   5  -4.799  -0.802  -7.848
   29    HA   TYR   5           HA       TYR   5  -4.947   0.537  -9.680
   30    HB2  TYR   5           HB2      TYR   5  -7.713   1.336  -8.810
   31    HB3  TYR   5           HB3      TYR   5  -7.085   1.153 -10.444
   32    HD1  TYR   5           HD1      TYR   5  -5.784  -1.530 -10.171
   33    HD2  TYR   5           HD2      TYR   5  -9.563  -0.109  -8.827
   34    HE1  TYR   5           HE1      TYR   5  -6.670  -3.822 -10.256
   35    HE2  TYR   5           HE2      TYR   5 -10.459  -2.398  -8.908
   36    HH   TYR   5           HH       TYR   5  -9.110  -4.843 -10.542
   37    H    GLY   6           H        GLY   6  -3.852   1.625  -7.281
   38    HA2  GLY   6           2HA      GLY   6  -4.794   4.394  -7.215
   39    HA3  GLY   6           3HA      GLY   6  -3.633   3.667  -6.114
   40    H    LYS   7           H        LYS   7  -3.058   6.107  -7.083
   41    HA   LYS   7           HA       LYS   7  -1.573   6.082  -9.508
   42    HB2  LYS   7           HB2      LYS   7  -2.477   8.022  -7.721
   43    HB3  LYS   7           HB3      LYS   7  -0.724   8.119  -7.619
   44    HG2  LYS   7           2HG      LYS   7  -1.648   7.938 -10.360
   45    HG3  LYS   7           3HG      LYS   7  -2.331   9.325  -9.509
   46    HD2  LYS   7           2HD      LYS   7   0.607   8.648  -9.618
   47    HD3  LYS   7           3HD      LYS   7  -0.192   9.835 -10.651
   48    HE2  LYS   7           2HE      LYS   7  -1.003  10.762  -8.299
   49    HE3  LYS   7           3HE      LYS   7   0.472   9.960  -7.759
   50    HZ1  LYS   7           3HZ      LYS   7   0.262  12.072  -9.835
   51    HZ2  LYS   7           1HZ      LYS   7   1.685  11.234  -9.466
   52    HZ3  LYS   7           2HZ      LYS   7   0.961  12.224  -8.302
   53    H    CYS   8           H        CYS   8   0.721   6.321  -9.750
   54    HA   CYS   8           HA       CYS   8   2.241   5.019  -7.586
   55    HB2  CYS   8           HB2      CYS   8   1.865   3.986 -10.049
   56    HB3  CYS   8           HB3      CYS   8   3.312   4.943 -10.348
   57    H    ASP   9           H        ASP   9   4.357   5.739  -7.171
   58    HA   ASP   9           HA       ASP   9   4.730   8.545  -7.466
   59    HB2  ASP   9           HB2      ASP   9   6.315   6.307  -6.263
   60    HB3  ASP   9           HB3      ASP   9   7.088   7.870  -6.517
   61    H    GLY  10           H        GLY  10   5.945   5.719  -9.137
   62    HA2  GLY  10           2HA      GLY  10   6.548   6.084 -11.495
   63    HA3  GLY  10           3HA      GLY  10   7.402   7.526 -10.966
   64    H    ILE  11           H        ILE  11   9.294   7.223  -9.585
   65    HA   ILE  11           HA       ILE  11  11.091   5.359 -10.642
   66    HB   ILE  11           HB       ILE  11  11.352   7.566  -9.071
   67   HG12  ILE  11          2HG1      ILE  11  13.036   6.754 -10.615
   68   HG13  ILE  11          3HG1      ILE  11  13.777   7.017  -9.040
   69   HG21  ILE  11          1HG2      ILE  11  12.284   6.997  -6.958
   70   HG22  ILE  11          2HG2      ILE  11  10.737   6.160  -7.087
   71   HG23  ILE  11          3HG2      ILE  11  12.242   5.275  -7.335
   72   HD11  ILE  11          3HD1      ILE  11  12.947   4.372 -10.209
   73   HD12  ILE  11          1HD1      ILE  11  14.594   4.974 -10.019
   74   HD13  ILE  11          2HD1      ILE  11  13.619   4.606  -8.596
   75    H    ILE  12           H        ILE  12   8.821   5.100  -8.043
   76    HA   ILE  12           HA       ILE  12  10.065   2.702  -6.964
   77    HB   ILE  12           HB       ILE  12   7.486   4.069  -6.187
   78   HG12  ILE  12          2HG1      ILE  12  10.228   4.109  -4.907
   79   HG13  ILE  12          3HG1      ILE  12   9.454   5.454  -5.739
   80   HG21  ILE  12          1HG2      ILE  12   7.452   1.701  -5.639
   81   HG22  ILE  12          2HG2      ILE  12   9.012   1.850  -4.831
   82   HG23  ILE  12          3HG2      ILE  12   7.596   2.671  -4.174
   83   HD11  ILE  12          3HD1      ILE  12   8.742   4.226  -3.103
   84   HD12  ILE  12          1HD1      ILE  12   9.168   5.898  -3.468
   85   HD13  ILE  12          2HD1      ILE  12   7.614   5.248  -3.992
   86    H    ASN  13           H        ASN  13   9.855   1.021  -8.344
   87    HA   ASN  13           HA       ASN  13   7.355   0.537  -9.728
   88    HB2  ASN  13           HB2      ASN  13   9.993  -0.938  -9.705
   89    HB3  ASN  13           HB3      ASN  13   8.595  -1.461 -10.640
   90   HD21  ASN  13          1HD2      ASN  13  10.663   1.359 -10.093
   91   HD22  ASN  13          2HD2      ASN  13  10.628   1.918 -11.728
   92    H    GLN  14           H        GLN  14   8.066   0.167  -6.670
   93    HA   GLN  14           HA       GLN  14   7.403  -2.600  -6.234
   94    HB2  GLN  14           HB2      GLN  14   7.784  -0.241  -4.400
   95    HB3  GLN  14           HB3      GLN  14   7.253  -1.809  -3.806
   96    HG2  GLN  14           2HG      GLN  14   9.486  -2.016  -3.472
   97    HG3  GLN  14           3HG      GLN  14   9.381  -2.641  -5.116
   98   HE21  GLN  14          1HE2      GLN  14  10.254  -1.484  -6.790
   99   HE22  GLN  14          2HE2      GLN  14  11.250  -0.091  -6.559
  100    H    CYS  15           H        CYS  15   5.399  -2.323  -7.604
  101    HA   CYS  15           HA       CYS  15   3.166  -1.085  -6.186
  102    HB2  CYS  15           HB2      CYS  15   3.756  -1.162  -8.835
  103    HB3  CYS  15           HB3      CYS  15   2.657  -2.532  -8.711
  104    H    CYS  16           H        CYS  16   2.395  -2.327  -4.590
  105    HA   CYS  16           HA       CYS  16   2.562  -5.059  -4.303
  106    HB2  CYS  16           HB2      CYS  16   0.814  -2.942  -3.188
  107    HB3  CYS  16           HB3      CYS  16   0.231  -4.595  -3.024
  108    H    ASP  17           H        ASP  17  -0.535  -3.488  -5.080
  109    HA   ASP  17           HA       ASP  17  -1.034  -5.573  -7.087
  110    HB2  ASP  17           HB2      ASP  17  -3.507  -5.382  -6.123
  111    HB3  ASP  17           HB3      ASP  17  -2.339  -6.521  -5.459
  112    HA   PRO  18           HA       PRO  18  -3.290  -6.068  -7.977
  113    HB2  PRO  18           HB2      PRO  18  -3.606  -6.181 -10.671
  114    HB3  PRO  18           HB3      PRO  18  -4.855  -5.566  -9.583
  115    HG2  PRO  18           2HG      PRO  18  -2.869  -4.052 -11.233
  116    HG3  PRO  18           3HG      PRO  18  -4.594  -3.726 -10.980
  117    HD2  PRO  18           2HD      PRO  18  -2.647  -2.385  -9.658
  118    HD3  PRO  18           3HD      PRO  18  -4.232  -2.726  -8.935
  119    H    TRP  19           H        TRP  19  -1.189  -4.579 -10.451
  120    HA   TRP  19           HA       TRP  19   0.727  -6.768 -10.014
  121    HB2  TRP  19           HB2      TRP  19  -0.158  -5.620 -12.667
  122    HB3  TRP  19           HB3      TRP  19   1.245  -6.666 -12.469
  123    HD1  TRP  19           HD1      TRP  19  -2.529  -6.747 -12.702
  124    HE1  TRP  19           HE1      TRP  19  -3.325  -9.194 -12.742
  125    HE3  TRP  19           HE3      TRP  19   1.884  -9.054 -11.546
  126    HZ2  TRP  19           HZ2      TRP  19  -2.227 -11.763 -12.337
  127    HZ3  TRP  19           HZ3      TRP  19   1.926 -11.509 -11.392
  128    HH2  TRP  19           HH2      TRP  19  -0.088 -12.834 -11.779
  129    H    LEU  20           H        LEU  20   1.065  -4.241 -12.404
  130    HA   LEU  20           HA       LEU  20   3.021  -2.875 -10.684
  131    HB2  LEU  20           HB2      LEU  20   4.219  -2.506 -13.002
  132    HB3  LEU  20           HB3      LEU  20   4.525  -3.934 -12.016
  133    HG   LEU  20           HG       LEU  20   2.949  -5.209 -13.423
  134   HD11  LEU  20          1HD1      LEU  20   1.475  -3.519 -14.207
  135   HD12  LEU  20          2HD1      LEU  20   2.308  -4.175 -15.616
  136   HD13  LEU  20          3HD1      LEU  20   2.798  -2.618 -14.948
  137   HD21  LEU  20          3HD2      LEU  20   5.392  -5.129 -13.885
  138   HD22  LEU  20          1HD2      LEU  20   5.087  -3.839 -15.048
  139   HD23  LEU  20          2HD2      LEU  20   4.407  -5.444 -15.314
  140    H    CYS  21           H        CYS  21   3.518  -0.665 -11.378
  141    HA   CYS  21           HA       CYS  21   1.113   0.638 -12.408
  142    HB2  CYS  21           HB2      CYS  21   2.157   2.717 -11.526
  143    HB3  CYS  21           HB3      CYS  21   1.927   1.483 -10.292
  144    H    THR  22           H        THR  22   1.007   1.472 -14.383
  145    HA   THR  22           HA       THR  22   3.490   2.208 -15.766
  146    HB   THR  22           HB       THR  22   1.571   0.122 -16.580
  147    HG1  THR  22           HG1      THR  22   3.912  -0.082 -16.161
  148   HG21  THR  22          3HG2      THR  22   0.891   1.729 -18.209
  149   HG22  THR  22          1HG2      THR  22   1.994   0.612 -19.012
  150   HG23  THR  22          2HG2      THR  22   2.559   2.209 -18.520
  151    HA   PRO  23           HA       PRO  23   4.082   3.058 -17.691
  152    HB2  PRO  23           HB2      PRO  23   5.115   5.559 -17.911
  153    HB3  PRO  23           HB3      PRO  23   4.115   4.819 -19.166
  154    HG2  PRO  23           2HG      PRO  23   3.344   6.784 -17.044
  155    HG3  PRO  23           3HG      PRO  23   2.888   6.751 -18.757
  156    HD2  PRO  23           2HD      PRO  23   1.242   5.874 -16.794
  157    HD3  PRO  23           3HD      PRO  23   1.252   5.163 -18.421
  158    HA   PRO  24           HA       PRO  24   6.455   3.328 -13.999
  159    HB2  PRO  24           HB2      PRO  24   8.975   3.778 -14.904
  160    HB3  PRO  24           HB3      PRO  24   8.149   2.227 -15.094
  161    HG2  PRO  24           2HG      PRO  24   8.490   4.446 -17.074
  162    HG3  PRO  24           3HG      PRO  24   8.645   2.697 -17.316
  163    HD2  PRO  24           2HD      PRO  24   6.426   4.074 -18.029
  164    HD3  PRO  24           3HD      PRO  24   6.367   2.389 -17.475
  165    H    ILE  25           H        ILE  25   6.035   6.038 -15.941
  166    HA   ILE  25           HA       ILE  25   7.446   7.786 -14.041
  167    HB   ILE  25           HB       ILE  25   6.403   8.555 -16.765
  168   HG12  ILE  25          2HG1      ILE  25   9.233   7.823 -15.985
  169   HG13  ILE  25          3HG1      ILE  25   8.148   6.787 -16.906
  170   HG21  ILE  25          1HG2      ILE  25   6.784  10.602 -15.964
  171   HG22  ILE  25          2HG2      ILE  25   7.649   9.980 -14.560
  172   HG23  ILE  25          3HG2      ILE  25   8.498  10.209 -16.088
  173   HD11  ILE  25          3HD1      ILE  25   8.993   7.712 -18.729
  174   HD12  ILE  25          1HD1      ILE  25   8.143   9.191 -18.284
  175   HD13  ILE  25          2HD1      ILE  25   9.821   8.957 -17.794
  176    H    ILE  26           H        ILE  26   5.573   7.348 -12.590
  177    HA   ILE  26           HA       ILE  26   3.700   8.073 -11.521
  178    HB   ILE  26           HB       ILE  26   3.867  10.409 -13.428
  179   HG12  ILE  26          2HG1      ILE  26   4.777  11.425 -11.151
  180   HG13  ILE  26          3HG1      ILE  26   5.228   9.750 -10.854
  181   HG21  ILE  26          1HG2      ILE  26   2.632  11.548 -11.506
  182   HG22  ILE  26          2HG2      ILE  26   1.707  10.444 -12.523
  183   HG23  ILE  26          3HG2      ILE  26   2.269   9.920 -10.935
  184   HD11  ILE  26          3HD1      ILE  26   6.980  11.247 -11.893
  185   HD12  ILE  26          1HD1      ILE  26   6.679   9.706 -12.694
  186   HD13  ILE  26          2HD1      ILE  26   6.007  11.194 -13.363
  187    H    GLY  27           H        GLY  27   2.214   6.536 -12.051
  188    HA2  GLY  27           2HA      GLY  27   0.224   7.311 -14.032
  189    HA3  GLY  27           3HA      GLY  27   1.041   5.782 -14.317
  190    H    PHE  28           H        PHE  28  -0.697   4.446 -14.034
  191    HA   PHE  28           HA       PHE  28  -1.746   4.303 -11.290
  192    HB2  PHE  28           HB2      PHE  28  -3.337   3.993 -13.844
  193    HB3  PHE  28           HB3      PHE  28  -3.952   3.641 -12.233
  194    HD1  PHE  28           HD1      PHE  28  -3.890   5.573 -10.525
  195    HD2  PHE  28           HD2      PHE  28  -3.567   6.114 -14.735
  196    HE1  PHE  28           HE1      PHE  28  -4.576   7.923 -10.273
  197    HE2  PHE  28           HE2      PHE  28  -4.251   8.464 -14.489
  198    HZ   PHE  28           HZ       PHE  28  -4.756   9.372 -12.256
  199    H    CYS  29           H        CYS  29  -1.947   2.287 -10.430
  200    HA   CYS  29           HA       CYS  29  -0.534   0.161 -11.736
  201    HB2  CYS  29           HB2      CYS  29  -0.947   0.816  -9.128
  202    HB3  CYS  29           HB3      CYS  29  -2.117  -0.484  -9.330
  203    H    LEU  30           H        LEU  30  -1.329  -1.452 -12.923
  204    HA   LEU  30           HA       LEU  30  -4.085  -2.307 -12.621
  205    HB2  LEU  30           HB2      LEU  30  -4.690  -1.988 -14.918
  206    HB3  LEU  30           HB3      LEU  30  -4.182  -0.444 -14.236
  207    HG   LEU  30           HG       LEU  30  -2.216  -2.081 -15.778
  208   HD11  LEU  30          1HD1      LEU  30  -3.751  -0.098 -17.314
  209   HD12  LEU  30          2HD1      LEU  30  -4.610  -1.587 -16.923
  210   HD13  LEU  30          3HD1      LEU  30  -3.086  -1.656 -17.807
  211   HD21  LEU  30          3HD2      LEU  30  -2.612   0.770 -15.003
  212   HD22  LEU  30          1HD2      LEU  30  -1.695   0.394 -16.463
  213   HD23  LEU  30          2HD2      LEU  30  -1.167  -0.237 -14.903
  Start of MODEL   13
    1    H1   CYS   1           H        CYS   1   1.818   0.393   0.756
    2    HA   CYS   1           HA       CYS   1   2.987   0.618  -1.185
    3    HB2  CYS   1           HB2      CYS   1   3.266  -1.557  -2.495
    4    HB3  CYS   1           HB3      CYS   1   3.780  -1.576  -0.812
    5    H    ILE   2           H        ILE   2   1.099   2.041  -1.789
    6    HA   ILE   2           HA       ILE   2  -0.267   2.870  -3.409
    7    HB   ILE   2           HB       ILE   2   0.740   0.564  -5.080
    8   HG12  ILE   2          2HG1      ILE   2   2.565   1.981  -4.216
    9   HG13  ILE   2          3HG1      ILE   2   2.382   2.146  -5.959
   10   HG21  ILE   2          1HG2      ILE   2  -0.719   3.102  -5.764
   11   HG22  ILE   2          2HG2      ILE   2   0.177   2.165  -6.958
   12   HG23  ILE   2          3HG2      ILE   2  -1.192   1.440  -6.116
   13   HD11  ILE   2          3HD1      ILE   2   2.277   4.150  -3.921
   14   HD12  ILE   2          1HD1      ILE   2   2.303   4.334  -5.674
   15   HD13  ILE   2          2HD1      ILE   2   0.767   4.130  -4.831
   16    H    ALA   3           H        ALA   3  -2.353   2.699  -2.919
   17    HA   ALA   3           HA       ALA   3  -3.719   0.332  -2.323
   18    HB1  ALA   3           1HB      ALA   3  -5.781   1.707  -2.594
   19    HB2  ALA   3           HB2      ALA   3  -4.564   2.427  -1.539
   20    HB3  ALA   3           HB3      ALA   3  -4.764   3.022  -3.187
   21    H    HIS   4           H        HIS   4  -5.557  -0.604  -3.500
   22    HA   HIS   4           HA       HIS   4  -4.881  -1.610  -5.972
   23    HB2  HIS   4           HB2      HIS   4  -7.287  -1.555  -4.309
   24    HB3  HIS   4           HB3      HIS   4  -7.642  -1.665  -6.031
   25    HD1  HIS   4           HD1      HIS   4  -5.563  -3.463  -3.411
   26    HD2  HIS   4           HD2      HIS   4  -7.439  -4.175  -7.049
   27    HE1  HIS   4           HE1      HIS   4  -5.330  -5.934  -3.815
   28    H    TYR   5           H        TYR   5  -4.690  -0.711  -7.905
   29    HA   TYR   5           HA       TYR   5  -4.945   0.682  -9.684
   30    HB2  TYR   5           HB2      TYR   5  -7.672   1.427  -8.661
   31    HB3  TYR   5           HB3      TYR   5  -7.123   1.273 -10.327
   32    HD1  TYR   5           HD1      TYR   5  -5.810  -1.389 -10.221
   33    HD2  TYR   5           HD2      TYR   5  -9.484  -0.046  -8.547
   34    HE1  TYR   5           HE1      TYR   5  -6.679  -3.689 -10.298
   35    HE2  TYR   5           HE2      TYR   5 -10.363  -2.342  -8.618
   36    HH   TYR   5           HH       TYR   5  -9.905  -4.446  -9.966
   37    H    GLY   6           H        GLY   6  -3.758   1.713  -7.293
   38    HA2  GLY   6           2HA      GLY   6  -4.718   4.477  -7.144
   39    HA3  GLY   6           3HA      GLY   6  -3.545   3.730  -6.070
   40    H    LYS   7           H        LYS   7  -3.091   6.228  -7.124
   41    HA   LYS   7           HA       LYS   7  -1.544   6.158  -9.510
   42    HB2  LYS   7           HB2      LYS   7  -2.531   8.135  -7.745
   43    HB3  LYS   7           HB3      LYS   7  -0.787   8.345  -7.810
   44    HG2  LYS   7           2HG      LYS   7  -1.967   7.934 -10.435
   45    HG3  LYS   7           3HG      LYS   7  -2.611   9.351  -9.600
   46    HD2  LYS   7           2HD      LYS   7   0.327   8.767  -9.963
   47    HD3  LYS   7           3HD      LYS   7  -0.616   9.836 -11.004
   48    HE2  LYS   7           2HE      LYS   7  -1.237  10.896  -8.630
   49    HE3  LYS   7           3HE      LYS   7   0.348  10.235  -8.231
   50    HZ1  LYS   7           3HZ      LYS   7   0.764  11.460 -10.612
   51    HZ2  LYS   7           1HZ      LYS   7   1.131  12.116  -9.096
   52    HZ3  LYS   7           2HZ      LYS   7  -0.331  12.504  -9.854
   53    H    CYS   8           H        CYS   8   0.727   6.414  -9.734
   54    HA   CYS   8           HA       CYS   8   2.264   5.401  -7.431
   55    HB2  CYS   8           HB2      CYS   8   2.003   4.335 -10.051
   56    HB3  CYS   8           HB3      CYS   8   3.648   4.945  -9.895
   57    H    ASP   9           H        ASP   9   4.357   6.224  -7.102
   58    HA   ASP   9           HA       ASP   9   4.655   8.984  -7.800
   59    HB2  ASP   9           HB2      ASP   9   6.626   7.149  -6.421
   60    HB3  ASP   9           HB3      ASP   9   6.675   8.910  -6.439
   61    H    GLY  10           H        GLY  10   6.102   5.958  -8.849
   62    HA2  GLY  10           2HA      GLY  10   6.800   5.965 -11.232
   63    HA3  GLY  10           3HA      GLY  10   7.616   7.481 -10.881
   64    H    ILE  11           H        ILE  11   9.271   7.319  -9.056
   65    HA   ILE  11           HA       ILE  11  11.282   5.531  -9.807
   66    HB   ILE  11           HB       ILE  11  11.209   7.745  -8.229
   67   HG12  ILE  11          2HG1      ILE  11  13.147   6.998  -9.478
   68   HG13  ILE  11          3HG1      ILE  11  13.618   7.287  -7.807
   69   HG21  ILE  11          1HG2      ILE  11  10.339   6.321  -6.357
   70   HG22  ILE  11          2HG2      ILE  11  11.894   5.489  -6.357
   71   HG23  ILE  11          3HG2      ILE  11  11.816   7.212  -5.990
   72   HD11  ILE  11          3HD1      ILE  11  13.090   4.616  -9.086
   73   HD12  ILE  11          1HD1      ILE  11  14.657   5.278  -8.622
   74   HD13  ILE  11          2HD1      ILE  11  13.471   4.868  -7.382
   75    H    ILE  12           H        ILE  12   8.659   5.185  -7.571
   76    HA   ILE  12           HA       ILE  12   9.817   2.754  -6.426
   77    HB   ILE  12           HB       ILE  12   7.234   4.155  -5.724
   78   HG12  ILE  12          2HG1      ILE  12   9.178   4.213  -3.634
   79   HG13  ILE  12          3HG1      ILE  12   9.936   4.811  -5.106
   80   HG21  ILE  12          1HG2      ILE  12   7.696   2.712  -3.577
   81   HG22  ILE  12          2HG2      ILE  12   6.870   2.022  -4.974
   82   HG23  ILE  12          3HG2      ILE  12   8.585   1.701  -4.717
   83   HD11  ILE  12          3HD1      ILE  12   7.391   6.012  -4.932
   84   HD12  ILE  12          1HD1      ILE  12   8.149   6.141  -3.344
   85   HD13  ILE  12          2HD1      ILE  12   8.976   6.769  -4.770
   86    H    ASN  13           H        ASN  13   9.653   1.265  -8.076
   87    HA   ASN  13           HA       ASN  13   7.093   0.835  -9.381
   88    HB2  ASN  13           HB2      ASN  13   9.768  -0.544  -9.696
   89    HB3  ASN  13           HB3      ASN  13   8.335  -0.925 -10.645
   90   HD21  ASN  13          1HD2      ASN  13  10.422   1.786  -9.744
   91   HD22  ASN  13          2HD2      ASN  13  10.315   2.599 -11.265
   92    H    GLN  14           H        GLN  14   8.027   0.138  -6.441
   93    HA   GLN  14           HA       GLN  14   7.518  -2.694  -6.315
   94    HB2  GLN  14           HB2      GLN  14   7.982  -0.553  -4.255
   95    HB3  GLN  14           HB3      GLN  14   7.479  -2.172  -3.788
   96    HG2  GLN  14           2HG      GLN  14   9.736  -2.385  -3.609
   97    HG3  GLN  14           3HG      GLN  14   9.512  -2.888  -5.284
   98   HE21  GLN  14          1HE2      GLN  14  10.727  -1.934  -6.752
   99   HE22  GLN  14          2HE2      GLN  14  11.568  -0.438  -6.557
  100    H    CYS  15           H        CYS  15   5.409  -2.350  -7.501
  101    HA   CYS  15           HA       CYS  15   3.243  -1.495  -5.719
  102    HB2  CYS  15           HB2      CYS  15   3.358  -0.575  -8.046
  103    HB3  CYS  15           HB3      CYS  15   3.092  -2.205  -8.655
  104    H    CYS  16           H        CYS  16   2.653  -3.114  -4.407
  105    HA   CYS  16           HA       CYS  16   2.907  -5.838  -4.853
  106    HB2  CYS  16           HB2      CYS  16   0.752  -4.509  -3.198
  107    HB3  CYS  16           HB3      CYS  16   1.359  -6.151  -3.013
  108    H    ASP  17           H        ASP  17  -0.174  -4.042  -4.976
  109    HA   ASP  17           HA       ASP  17  -1.012  -5.800  -7.181
  110    HB2  ASP  17           HB2      ASP  17  -2.317  -5.351  -4.562
  111    HB3  ASP  17           HB3      ASP  17  -3.382  -5.329  -5.965
  112    HA   PRO  18           HA       PRO  18  -3.421  -5.920  -7.877
  113    HB2  PRO  18           HB2      PRO  18  -3.986  -5.746 -10.527
  114    HB3  PRO  18           HB3      PRO  18  -5.035  -5.071  -9.275
  115    HG2  PRO  18           2HG      PRO  18  -3.007  -3.693 -10.993
  116    HG3  PRO  18           3HG      PRO  18  -4.639  -3.163 -10.544
  117    HD2  PRO  18           2HD      PRO  18  -2.414  -2.220  -9.324
  118    HD3  PRO  18           3HD      PRO  18  -3.961  -2.410  -8.474
  119    H    TRP  19           H        TRP  19  -1.358  -4.509 -10.427
  120    HA   TRP  19           HA       TRP  19   0.228  -6.989 -10.385
  121    HB2  TRP  19           HB2      TRP  19  -0.648  -5.387 -12.794
  122    HB3  TRP  19           HB3      TRP  19   0.600  -6.630 -12.850
  123    HD1  TRP  19           HD1      TRP  19  -3.153  -6.171 -12.761
  124    HE1  TRP  19           HE1      TRP  19  -4.295  -8.462 -13.027
  125    HE3  TRP  19           HE3      TRP  19   0.949  -9.184 -12.279
  126    HZ2  TRP  19           HZ2      TRP  19  -3.556 -11.186 -13.031
  127    HZ3  TRP  19           HZ3      TRP  19   0.645 -11.621 -12.425
  128    HH2  TRP  19           HH2      TRP  19  -1.561 -12.600 -12.793
  129    H    LEU  20           H        LEU  20   0.848  -4.296 -12.510
  130    HA   LEU  20           HA       LEU  20   3.068  -3.429 -10.787
  131    HB2  LEU  20           HB2      LEU  20   4.293  -3.061 -13.045
  132    HB3  LEU  20           HB3      LEU  20   4.266  -4.662 -12.309
  133    HG   LEU  20           HG       LEU  20   2.420  -5.283 -13.850
  134   HD11  LEU  20          1HD1      LEU  20   2.873  -2.482 -14.788
  135   HD12  LEU  20          2HD1      LEU  20   1.358  -3.329 -14.475
  136   HD13  LEU  20          3HD1      LEU  20   2.305  -3.718 -15.911
  137   HD21  LEU  20          3HD2      LEU  20   3.839  -5.845 -15.573
  138   HD22  LEU  20          1HD2      LEU  20   4.986  -5.504 -14.277
  139   HD23  LEU  20          2HD2      LEU  20   4.685  -4.297 -15.527
  140    H    CYS  21           H        CYS  21   3.888  -1.270 -11.312
  141    HA   CYS  21           HA       CYS  21   1.688   0.505 -11.991
  142    HB2  CYS  21           HB2      CYS  21   4.283   0.768 -10.567
  143    HB3  CYS  21           HB3      CYS  21   3.674   2.203 -11.385
  144    H    THR  22           H        THR  22   1.457   1.476 -13.891
  145    HA   THR  22           HA       THR  22   3.789   2.016 -15.558
  146    HB   THR  22           HB       THR  22   1.419   0.426 -16.561
  147    HG1  THR  22           HG1      THR  22   4.011  -0.222 -15.761
  148   HG21  THR  22          3HG2      THR  22   2.408   0.476 -18.718
  149   HG22  THR  22          1HG2      THR  22   3.884   1.217 -18.102
  150   HG23  THR  22          2HG2      THR  22   2.385   2.145 -18.150
  151    HA   PRO  23           HA       PRO  23   4.327   2.990 -17.361
  152    HB2  PRO  23           HB2      PRO  23   5.379   5.490 -17.471
  153    HB3  PRO  23           HB3      PRO  23   4.337   4.830 -18.736
  154    HG2  PRO  23           2HG      PRO  23   3.646   6.679 -16.486
  155    HG3  PRO  23           3HG      PRO  23   3.141   6.747 -18.184
  156    HD2  PRO  23           2HD      PRO  23   1.542   5.775 -16.227
  157    HD3  PRO  23           3HD      PRO  23   1.499   5.156 -17.890
  158    HA   PRO  24           HA       PRO  24   6.807   3.032 -13.730
  159    HB2  PRO  24           HB2      PRO  24   9.305   3.512 -14.681
  160    HB3  PRO  24           HB3      PRO  24   8.459   1.981 -14.933
  161    HG2  PRO  24           2HG      PRO  24   8.764   4.305 -16.795
  162    HG3  PRO  24           3HG      PRO  24   8.896   2.571 -17.139
  163    HD2  PRO  24           2HD      PRO  24   6.671   4.005 -17.709
  164    HD3  PRO  24           3HD      PRO  24   6.611   2.291 -17.249
  165    H    ILE  25           H        ILE  25   6.431   5.854 -15.553
  166    HA   ILE  25           HA       ILE  25   8.030   7.509 -13.758
  167    HB   ILE  25           HB       ILE  25   6.327   8.464 -16.053
  168   HG12  ILE  25          2HG1      ILE  25   9.237   7.634 -16.096
  169   HG13  ILE  25          3HG1      ILE  25   7.912   6.772 -16.871
  170   HG21  ILE  25          1HG2      ILE  25   7.762   9.808 -14.074
  171   HG22  ILE  25          2HG2      ILE  25   8.755   9.920 -15.526
  172   HG23  ILE  25          3HG2      ILE  25   7.087  10.492 -15.552
  173   HD11  ILE  25          3HD1      ILE  25   7.543   9.068 -18.075
  174   HD12  ILE  25          1HD1      ILE  25   9.237   9.313 -17.650
  175   HD13  ILE  25          2HD1      ILE  25   8.767   7.930 -18.639
  176    H    ILE  26           H        ILE  26   4.681   7.544 -14.996
  177    HA   ILE  26           HA       ILE  26   3.598   7.956 -12.378
  178    HB   ILE  26           HB       ILE  26   2.444  10.163 -13.432
  179   HG12  ILE  26          2HG1      ILE  26   4.260  11.569 -14.375
  180   HG13  ILE  26          3HG1      ILE  26   5.316  10.161 -14.386
  181   HG21  ILE  26          1HG2      ILE  26   3.145  10.784 -11.419
  182   HG22  ILE  26          2HG2      ILE  26   4.407   9.553 -11.426
  183   HG23  ILE  26          3HG2      ILE  26   4.720  11.140 -12.129
  184   HD11  ILE  26          3HD1      ILE  26   3.971   9.077 -16.023
  185   HD12  ILE  26          1HD1      ILE  26   2.723  10.317 -15.895
  186   HD13  ILE  26          2HD1      ILE  26   4.297  10.718 -16.583
  187    H    GLY  27           H        GLY  27   1.589   7.155 -12.309
  188    HA2  GLY  27           2HA      GLY  27  -0.423   7.486 -14.197
  189    HA3  GLY  27           3HA      GLY  27   0.417   6.001 -14.620
  190    H    PHE  28           H        PHE  28  -1.088   4.502 -14.104
  191    HA   PHE  28           HA       PHE  28  -1.844   4.338 -11.267
  192    HB2  PHE  28           HB2      PHE  28  -3.654   3.808 -13.633
  193    HB3  PHE  28           HB3      PHE  28  -4.068   3.481 -11.953
  194    HD1  PHE  28           HD1      PHE  28  -4.031   5.474 -10.334
  195    HD2  PHE  28           HD2      PHE  28  -4.115   5.875 -14.571
  196    HE1  PHE  28           HE1      PHE  28  -4.882   7.770 -10.097
  197    HE2  PHE  28           HE2      PHE  28  -4.965   8.171 -14.340
  198    HZ   PHE  28           HZ       PHE  28  -5.350   9.123 -12.101
  199    H    CYS  29           H        CYS  29  -1.818   2.322 -10.366
  200    HA   CYS  29           HA       CYS  29  -0.322   0.307 -11.746
  201    HB2  CYS  29           HB2      CYS  29  -0.362   0.901  -9.202
  202    HB3  CYS  29           HB3      CYS  29  -1.749  -0.182  -9.153
  203    H    LEU  30           H        LEU  30  -1.047  -1.381 -12.871
  204    HA   LEU  30           HA       LEU  30  -3.776  -2.342 -12.446
  205    HB2  LEU  30           HB2      LEU  30  -3.074  -2.290 -15.265
  206    HB3  LEU  30           HB3      LEU  30  -4.563  -1.798 -14.460
  207    HG   LEU  30           HG       LEU  30  -3.181   0.329 -13.830
  208   HD11  LEU  30          1HD1      LEU  30  -1.736  -0.585 -16.312
  209   HD12  LEU  30          2HD1      LEU  30  -1.049  -0.573 -14.688
  210   HD13  LEU  30          3HD1      LEU  30  -1.514   0.943 -15.460
  211   HD21  LEU  30          3HD2      LEU  30  -3.809   0.373 -16.704
  212   HD22  LEU  30          1HD2      LEU  30  -4.408   1.387 -15.391
  213   HD23  LEU  30          2HD2      LEU  30  -5.101  -0.213 -15.654
  Start of MODEL   14
    1    H1   CYS   1           H        CYS   1   2.301   0.052   0.703
    2    HA   CYS   1           HA       CYS   1   3.247   0.569  -1.395
    3    HB2  CYS   1           HB2      CYS   1   3.387  -1.653  -2.622
    4    HB3  CYS   1           HB3      CYS   1   3.917  -1.662  -0.943
    5    H    ILE   2           H        ILE   2   1.289   2.029  -1.887
    6    HA   ILE   2           HA       ILE   2  -0.119   2.868  -3.466
    7    HB   ILE   2           HB       ILE   2   0.874   0.596  -5.191
    8   HG12  ILE   2          2HG1      ILE   2   2.731   1.962  -4.402
    9   HG13  ILE   2          3HG1      ILE   2   2.440   2.278  -6.109
   10   HG21  ILE   2          1HG2      ILE   2  -1.085   1.462  -6.178
   11   HG22  ILE   2          2HG2      ILE   2  -0.632   3.124  -5.804
   12   HG23  ILE   2          3HG2      ILE   2   0.257   2.224  -7.033
   13   HD11  ILE   2          3HD1      ILE   2   0.968   4.232  -5.149
   14   HD12  ILE   2          1HD1      ILE   2   2.030   4.035  -3.755
   15   HD13  ILE   2          2HD1      ILE   2   2.713   4.400  -5.339
   16    H    ALA   3           H        ALA   3  -2.191   2.668  -2.925
   17    HA   ALA   3           HA       ALA   3  -3.521   0.277  -2.341
   18    HB1  ALA   3           1HB      ALA   3  -4.917   1.795  -1.519
   19    HB2  ALA   3           HB2      ALA   3  -4.179   3.072  -2.488
   20    HB3  ALA   3           HB3      ALA   3  -5.483   2.094  -3.163
   21    H    HIS   4           H        HIS   4  -5.372  -0.660  -3.492
   22    HA   HIS   4           HA       HIS   4  -4.745  -1.610  -5.999
   23    HB2  HIS   4           HB2      HIS   4  -7.173  -1.549  -4.325
   24    HB3  HIS   4           HB3      HIS   4  -7.463  -1.779  -6.047
   25    HD1  HIS   4           HD1      HIS   4  -5.242  -3.304  -3.355
   26    HD2  HIS   4           HD2      HIS   4  -7.319  -4.370  -6.792
   27    HE1  HIS   4           HE1      HIS   4  -4.958  -5.794  -3.568
   28    H    TYR   5           H        TYR   5  -4.619  -0.675  -7.921
   29    HA   TYR   5           HA       TYR   5  -4.939   0.746  -9.666
   30    HB2  TYR   5           HB2      TYR   5  -7.642   1.446  -8.553
   31    HB3  TYR   5           HB3      TYR   5  -7.140   1.329 -10.236
   32    HD1  TYR   5           HD1      TYR   5  -5.798  -1.323 -10.215
   33    HD2  TYR   5           HD2      TYR   5  -9.438  -0.046  -8.419
   34    HE1  TYR   5           HE1      TYR   5  -6.648  -3.629 -10.311
   35    HE2  TYR   5           HE2      TYR   5 -10.297  -2.348  -8.509
   36    HH   TYR   5           HH       TYR   5  -8.903  -4.759 -10.360
   37    H    GLY   6           H        GLY   6  -3.690   1.746  -7.295
   38    HA2  GLY   6           2HA      GLY   6  -4.671   4.498  -7.069
   39    HA3  GLY   6           3HA      GLY   6  -3.462   3.743  -6.040
   40    H    LYS   7           H        LYS   7  -3.048   6.260  -7.050
   41    HA   LYS   7           HA       LYS   7  -1.577   6.255  -9.484
   42    HB2  LYS   7           HB2      LYS   7  -2.568   8.187  -7.725
   43    HB3  LYS   7           HB3      LYS   7  -0.822   8.386  -7.667
   44    HG2  LYS   7           2HG      LYS   7  -1.859   8.083 -10.374
   45    HG3  LYS   7           3HG      LYS   7  -2.499   9.491  -9.524
   46    HD2  LYS   7           2HD      LYS   7   0.433   8.822  -9.753
   47    HD3  LYS   7           3HD      LYS   7  -0.418   9.951 -10.809
   48    HE2  LYS   7           2HE      LYS   7  -1.134  11.005  -8.488
   49    HE3  LYS   7           3HE      LYS   7   0.350  10.222  -7.949
   50    HZ1  LYS   7           3HZ      LYS   7   1.310  12.095  -8.663
   51    HZ2  LYS   7           1HZ      LYS   7  -0.002  12.537  -9.635
   52    HZ3  LYS   7           2HZ      LYS   7   1.142  11.434 -10.211
   53    H    CYS   8           H        CYS   8   0.686   6.531  -9.772
   54    HA   CYS   8           HA       CYS   8   2.298   5.464  -7.547
   55    HB2  CYS   8           HB2      CYS   8   1.978   4.503 -10.218
   56    HB3  CYS   8           HB3      CYS   8   3.637   5.061 -10.025
   57    H    ASP   9           H        ASP   9   4.398   6.287  -7.262
   58    HA   ASP   9           HA       ASP   9   4.667   9.061  -7.995
   59    HB2  ASP   9           HB2      ASP   9   6.122   7.174  -6.194
   60    HB3  ASP   9           HB3      ASP   9   6.952   8.635  -6.724
   61    H    GLY  10           H        GLY  10   6.135   6.005  -8.897
   62    HA2  GLY  10           2HA      GLY  10   6.933   5.948 -11.248
   63    HA3  GLY  10           3HA      GLY  10   7.755   7.461 -10.896
   64    H    ILE  11           H        ILE  11   9.325   7.317  -8.995
   65    HA   ILE  11           HA       ILE  11  11.345   5.492  -9.619
   66    HB   ILE  11           HB       ILE  11  11.227   7.733  -8.085
   67   HG12  ILE  11          2HG1      ILE  11  13.212   6.941  -9.230
   68   HG13  ILE  11          3HG1      ILE  11  13.608   7.253  -7.543
   69   HG21  ILE  11          1HG2      ILE  11  11.723   7.235  -5.811
   70   HG22  ILE  11          2HG2      ILE  11  10.254   6.355  -6.230
   71   HG23  ILE  11          3HG2      ILE  11  11.797   5.505  -6.143
   72   HD11  ILE  11          3HD1      ILE  11  14.659   5.219  -8.275
   73   HD12  ILE  11          1HD1      ILE  11  13.413   4.845  -7.084
   74   HD13  ILE  11          2HD1      ILE  11  13.106   4.567  -8.798
   75    H    ILE  12           H        ILE  12   8.618   5.216  -7.500
   76    HA   ILE  12           HA       ILE  12   9.691   2.785  -6.271
   77    HB   ILE  12           HB       ILE  12   7.125   4.266  -5.683
   78   HG12  ILE  12          2HG1      ILE  12   8.941   4.275  -3.497
   79   HG13  ILE  12          3HG1      ILE  12   9.837   4.781  -4.925
   80   HG21  ILE  12          1HG2      ILE  12   8.301   1.738  -4.675
   81   HG22  ILE  12          2HG2      ILE  12   7.511   2.793  -3.505
   82   HG23  ILE  12          3HG2      ILE  12   6.612   2.194  -4.899
   83   HD11  ILE  12          3HD1      ILE  12   7.698   6.310  -5.253
   84   HD12  ILE  12          1HD1      ILE  12   7.616   6.117  -3.502
   85   HD13  ILE  12          2HD1      ILE  12   9.063   6.796  -4.248
   86    H    ASN  13           H        ASN  13   9.572   1.340  -7.993
   87    HA   ASN  13           HA       ASN  13   7.020   0.906  -9.312
   88    HB2  ASN  13           HB2      ASN  13   9.702  -0.459  -9.638
   89    HB3  ASN  13           HB3      ASN  13   8.275  -0.812 -10.609
   90   HD21  ASN  13          1HD2      ASN  13  10.378   1.859  -9.630
   91   HD22  ASN  13          2HD2      ASN  13  10.281   2.714 -11.128
   92    H    GLN  14           H        GLN  14   7.950   0.172  -6.380
   93    HA   GLN  14           HA       GLN  14   7.464  -2.666  -6.300
   94    HB2  GLN  14           HB2      GLN  14   7.837  -0.571  -4.165
   95    HB3  GLN  14           HB3      GLN  14   7.465  -2.248  -3.787
   96    HG2  GLN  14           2HG      GLN  14   9.724  -2.327  -3.637
   97    HG3  GLN  14           3HG      GLN  14   9.540  -2.696  -5.351
   98   HE21  GLN  14          1HE2      GLN  14  10.169  -1.204  -6.872
   99   HE22  GLN  14          2HE2      GLN  14  11.092   0.203  -6.482
  100    H    CYS  15           H        CYS  15   5.355  -2.320  -7.486
  101    HA   CYS  15           HA       CYS  15   3.178  -1.504  -5.701
  102    HB2  CYS  15           HB2      CYS  15   3.343  -0.600  -8.061
  103    HB3  CYS  15           HB3      CYS  15   2.975  -2.226  -8.626
  104    H    CYS  16           H        CYS  16   2.603  -3.139  -4.402
  105    HA   CYS  16           HA       CYS  16   2.878  -5.857  -4.873
  106    HB2  CYS  16           HB2      CYS  16   0.720  -4.552  -3.203
  107    HB3  CYS  16           HB3      CYS  16   1.323  -6.198  -3.039
  108    H    ASP  17           H        ASP  17  -0.216  -4.082  -4.980
  109    HA   ASP  17           HA       ASP  17  -1.044  -5.835  -7.193
  110    HB2  ASP  17           HB2      ASP  17  -2.249  -5.557  -4.555
  111    HB3  ASP  17           HB3      ASP  17  -3.396  -5.220  -5.849
  112    HA   PRO  18           HA       PRO  18  -3.448  -5.959  -7.900
  113    HB2  PRO  18           HB2      PRO  18  -4.002  -5.783 -10.552
  114    HB3  PRO  18           HB3      PRO  18  -5.058  -5.112  -9.303
  115    HG2  PRO  18           2HG      PRO  18  -3.027  -3.727 -11.011
  116    HG3  PRO  18           3HG      PRO  18  -4.662  -3.202 -10.568
  117    HD2  PRO  18           2HD      PRO  18  -2.444  -2.255  -9.337
  118    HD3  PRO  18           3HD      PRO  18  -3.994  -2.449  -8.494
  119    H    TRP  19           H        TRP  19  -1.378  -4.540 -10.439
  120    HA   TRP  19           HA       TRP  19   0.232  -7.003 -10.375
  121    HB2  TRP  19           HB2      TRP  19  -0.678  -5.464 -12.813
  122    HB3  TRP  19           HB3      TRP  19   0.577  -6.700 -12.848
  123    HD1  TRP  19           HD1      TRP  19  -3.178  -6.260 -12.741
  124    HE1  TRP  19           HE1      TRP  19  -4.309  -8.563 -12.949
  125    HE3  TRP  19           HE3      TRP  19   0.946  -9.238 -12.226
  126    HZ2  TRP  19           HZ2      TRP  19  -3.552 -11.282 -12.899
  127    HZ3  TRP  19           HZ3      TRP  19   0.656 -11.680 -12.317
  128    HH2  TRP  19           HH2      TRP  19  -1.547 -12.679 -12.646
  129    H    LEU  20           H        LEU  20   0.773  -4.319 -12.543
  130    HA   LEU  20           HA       LEU  20   3.018  -3.416 -10.873
  131    HB2  LEU  20           HB2      LEU  20   4.157  -3.011 -13.181
  132    HB3  LEU  20           HB3      LEU  20   4.211  -4.603 -12.425
  133    HG   LEU  20           HG       LEU  20   2.398  -5.355 -13.896
  134   HD11  LEU  20          1HD1      LEU  20   2.546  -2.527 -14.883
  135   HD12  LEU  20          2HD1      LEU  20   1.135  -3.445 -14.357
  136   HD13  LEU  20          3HD1      LEU  20   1.917  -3.830 -15.891
  137   HD21  LEU  20          3HD2      LEU  20   3.692  -5.545 -15.887
  138   HD22  LEU  20          1HD2      LEU  20   4.816  -5.545 -14.528
  139   HD23  LEU  20          2HD2      LEU  20   4.611  -4.089 -15.502
  140    H    CYS  21           H        CYS  21   3.789  -1.241 -11.410
  141    HA   CYS  21           HA       CYS  21   1.539   0.490 -12.072
  142    HB2  CYS  21           HB2      CYS  21   3.999   0.731 -10.481
  143    HB3  CYS  21           HB3      CYS  21   3.603   2.168 -11.416
  144    H    THR  22           H        THR  22   1.324   1.469 -13.969
  145    HA   THR  22           HA       THR  22   3.694   2.049 -15.584
  146    HB   THR  22           HB       THR  22   1.507   0.183 -16.341
  147    HG1  THR  22           HG1      THR  22   3.816  -0.334 -15.957
  148   HG21  THR  22          3HG2      THR  22   1.992   0.676 -18.769
  149   HG22  THR  22          1HG2      THR  22   2.746   2.177 -18.233
  150   HG23  THR  22          2HG2      THR  22   1.032   1.893 -17.928
  151    HA   PRO  23           HA       PRO  23   4.234   3.026 -17.408
  152    HB2  PRO  23           HB2      PRO  23   5.362   5.494 -17.498
  153    HB3  PRO  23           HB3      PRO  23   4.279   4.887 -18.756
  154    HG2  PRO  23           2HG      PRO  23   3.682   6.721 -16.467
  155    HG3  PRO  23           3HG      PRO  23   3.153   6.830 -18.156
  156    HD2  PRO  23           2HD      PRO  23   1.556   5.878 -16.187
  157    HD3  PRO  23           3HD      PRO  23   1.467   5.287 -17.858
  158    HA   PRO  24           HA       PRO  24   6.780   2.942 -13.824
  159    HB2  PRO  24           HB2      PRO  24   9.272   3.385 -14.805
  160    HB3  PRO  24           HB3      PRO  24   8.388   1.879 -15.075
  161    HG2  PRO  24           2HG      PRO  24   8.716   4.235 -16.893
  162    HG3  PRO  24           3HG      PRO  24   8.803   2.505 -17.276
  163    HD2  PRO  24           2HD      PRO  24   6.602   4.000 -17.779
  164    HD3  PRO  24           3HD      PRO  24   6.511   2.279 -17.354
  165    H    ILE  25           H        ILE  25   6.423   5.809 -15.571
  166    HA   ILE  25           HA       ILE  25   8.085   7.387 -13.759
  167    HB   ILE  25           HB       ILE  25   6.407   8.416 -16.043
  168   HG12  ILE  25          2HG1      ILE  25   9.310   7.561 -16.078
  169   HG13  ILE  25          3HG1      ILE  25   7.984   6.714 -16.867
  170   HG21  ILE  25          1HG2      ILE  25   8.834   9.848 -15.500
  171   HG22  ILE  25          2HG2      ILE  25   7.167  10.422 -15.472
  172   HG23  ILE  25          3HG2      ILE  25   7.875   9.697 -14.028
  173   HD11  ILE  25          3HD1      ILE  25   9.021   7.920 -18.567
  174   HD12  ILE  25          1HD1      ILE  25   7.601   8.879 -18.153
  175   HD13  ILE  25          2HD1      ILE  25   9.193   9.361 -17.565
  176    H    ILE  26           H        ILE  26   4.723   7.445 -14.955
  177    HA   ILE  26           HA       ILE  26   3.669   7.875 -12.335
  178    HB   ILE  26           HB       ILE  26   2.540  10.108 -13.353
  179   HG12  ILE  26          2HG1      ILE  26   4.357  11.495 -14.315
  180   HG13  ILE  26          3HG1      ILE  26   5.399  10.077 -14.346
  181   HG21  ILE  26          1HG2      ILE  26   3.288  10.739 -11.363
  182   HG22  ILE  26          2HG2      ILE  26   4.485   9.445 -11.365
  183   HG23  ILE  26          3HG2      ILE  26   4.878  11.009 -12.077
  184   HD11  ILE  26          3HD1      ILE  26   2.786  10.256 -15.818
  185   HD12  ILE  26          1HD1      ILE  26   4.348  10.668 -16.526
  186   HD13  ILE  26          2HD1      ILE  26   4.034   9.021 -15.979
  187    H    GLY  27           H        GLY  27   1.673   7.055 -12.268
  188    HA2  GLY  27           2HA      GLY  27  -0.352   7.447 -14.147
  189    HA3  GLY  27           3HA      GLY  27   0.460   5.947 -14.567
  190    H    PHE  28           H        PHE  28  -1.107   4.501 -14.055
  191    HA   PHE  28           HA       PHE  28  -1.832   4.336 -11.211
  192    HB2  PHE  28           HB2      PHE  28  -3.697   3.834 -13.540
  193    HB3  PHE  28           HB3      PHE  28  -4.093   3.599 -11.840
  194    HD1  PHE  28           HD1      PHE  28  -3.953   5.652 -10.312
  195    HD2  PHE  28           HD2      PHE  28  -4.069   5.881 -14.560
  196    HE1  PHE  28           HE1      PHE  28  -4.699   7.992 -10.161
  197    HE2  PHE  28           HE2      PHE  28  -4.815   8.222 -14.417
  198    HZ   PHE  28           HZ       PHE  28  -5.130   9.280 -12.215
  199    H    CYS  29           H        CYS  29  -1.868   2.309 -10.328
  200    HA   CYS  29           HA       CYS  29  -0.443   0.263 -11.730
  201    HB2  CYS  29           HB2      CYS  29  -0.568   0.858  -9.147
  202    HB3  CYS  29           HB3      CYS  29  -1.883  -0.312  -9.180
  203    H    LEU  30           H        LEU  30  -1.215  -1.396 -12.869
  204    HA   LEU  30           HA       LEU  30  -3.918  -2.369 -12.422
  205    HB2  LEU  30           HB2      LEU  30  -4.216  -2.305 -14.999
  206    HB3  LEU  30           HB3      LEU  30  -4.562  -0.870 -14.037
  207    HG   LEU  30           HG       LEU  30  -2.255  -0.048 -14.642
  208   HD11  LEU  30          1HD1      LEU  30  -1.712  -1.258 -17.003
  209   HD12  LEU  30          2HD1      LEU  30  -2.277  -2.626 -16.045
  210   HD13  LEU  30          3HD1      LEU  30  -0.923  -1.650 -15.475
  211   HD21  LEU  30          3HD2      LEU  30  -4.549  -0.365 -16.499
  212   HD22  LEU  30          1HD2      LEU  30  -3.041   0.275 -17.153
  213   HD23  LEU  30          2HD2      LEU  30  -3.838   1.096 -15.811
  Start of MODEL   15
    1    H1   CYS   1           H        CYS   1   2.616   0.855   0.488
    2    HA   CYS   1           HA       CYS   1   3.492   0.516  -1.613
    3    HB2  CYS   1           HB2      CYS   1   3.104  -1.910  -2.345
    4    HB3  CYS   1           HB3      CYS   1   3.841  -1.653  -0.767
    5    H    ILE   2           H        ILE   2   1.363   2.096  -1.996
    6    HA   ILE   2           HA       ILE   2  -0.081   2.832  -3.593
    7    HB   ILE   2           HB       ILE   2   0.937   0.516  -5.242
    8   HG12  ILE   2          2HG1      ILE   2   2.788   1.922  -4.506
    9   HG13  ILE   2          3HG1      ILE   2   2.488   2.172  -6.222
   10   HG21  ILE   2          1HG2      ILE   2  -0.578   3.019  -5.934
   11   HG22  ILE   2          2HG2      ILE   2   0.294   2.066  -7.133
   12   HG23  ILE   2          3HG2      ILE   2  -1.041   1.345  -6.235
   13   HD11  ILE   2          3HD1      ILE   2   0.957   4.123  -5.178
   14   HD12  ILE   2          1HD1      ILE   2   2.232   4.029  -3.963
   15   HD13  ILE   2          2HD1      ILE   2   2.643   4.334  -5.651
   16    H    ALA   3           H        ALA   3  -2.139   2.598  -3.012
   17    HA   ALA   3           HA       ALA   3  -3.390   0.170  -2.358
   18    HB1  ALA   3           1HB      ALA   3  -5.262   2.186  -3.258
   19    HB2  ALA   3           HB2      ALA   3  -5.025   1.503  -1.649
   20    HB3  ALA   3           HB3      ALA   3  -4.035   2.861  -2.185
   21    H    HIS   4           H        HIS   4  -5.264  -0.797  -3.454
   22    HA   HIS   4           HA       HIS   4  -4.695  -1.748  -5.972
   23    HB2  HIS   4           HB2      HIS   4  -7.110  -1.671  -4.264
   24    HB3  HIS   4           HB3      HIS   4  -7.392  -1.974  -5.975
   25    HD1  HIS   4           HD1      HIS   4  -5.386  -3.392  -3.086
   26    HD2  HIS   4           HD2      HIS   4  -6.962  -4.549  -6.752
   27    HE1  HIS   4           HE1      HIS   4  -4.996  -5.872  -3.233
   28    H    TYR   5           H        TYR   5  -4.624  -0.822  -7.900
   29    HA   TYR   5           HA       TYR   5  -4.995   0.589  -9.644
   30    HB2  TYR   5           HB2      TYR   5  -7.676   1.280  -8.475
   31    HB3  TYR   5           HB3      TYR   5  -7.213   1.142 -10.167
   32    HD1  TYR   5           HD1      TYR   5  -5.868  -1.496 -10.169
   33    HD2  TYR   5           HD2      TYR   5  -9.447  -0.226  -8.251
   34    HE1  TYR   5           HE1      TYR   5  -6.706  -3.808 -10.214
   35    HE2  TYR   5           HE2      TYR   5 -10.294  -2.535  -8.289
   36    HH   TYR   5           HH       TYR   5  -8.621  -5.104  -8.563
   37    H    GLY   6           H        GLY   6  -3.692   1.613  -7.319
   38    HA2  GLY   6           2HA      GLY   6  -4.684   4.368  -7.118
   39    HA3  GLY   6           3HA      GLY   6  -3.494   3.623  -6.060
   40    H    LYS   7           H        LYS   7  -3.065   6.125  -7.120
   41    HA   LYS   7           HA       LYS   7  -1.586   6.109  -9.533
   42    HB2  LYS   7           HB2      LYS   7  -2.538   8.045  -7.801
   43    HB3  LYS   7           HB3      LYS   7  -0.793   8.169  -7.619
   44    HG2  LYS   7           2HG      LYS   7  -1.642   7.976 -10.398
   45    HG3  LYS   7           3HG      LYS   7  -2.298   9.383  -9.559
   46    HD2  LYS   7           2HD      LYS   7   0.621   8.621  -9.594
   47    HD3  LYS   7           3HD      LYS   7  -0.116   9.808 -10.674
   48    HE2  LYS   7           2HE      LYS   7  -0.963  10.829  -8.388
   49    HE3  LYS   7           3HE      LYS   7   0.440   9.969  -7.754
   50    HZ1  LYS   7           3HZ      LYS   7   0.962  12.259  -8.369
   51    HZ2  LYS   7           1HZ      LYS   7   0.507  11.947  -9.968
   52    HZ3  LYS   7           2HZ      LYS   7   1.844  11.156  -9.300
   53    H    CYS   8           H        CYS   8   0.694   6.381  -9.819
   54    HA   CYS   8           HA       CYS   8   2.281   5.152  -7.660
   55    HB2  CYS   8           HB2      CYS   8   1.877   4.094 -10.129
   56    HB3  CYS   8           HB3      CYS   8   3.340   5.030 -10.415
   57    H    ASP   9           H        ASP   9   4.386   5.924  -7.299
   58    HA   ASP   9           HA       ASP   9   4.700   8.737  -7.788
   59    HB2  ASP   9           HB2      ASP   9   6.378   6.684  -6.350
   60    HB3  ASP   9           HB3      ASP   9   6.897   8.356  -6.542
   61    H    GLY  10           H        GLY  10   5.783   5.829  -9.279
   62    HA2  GLY  10           2HA      GLY  10   6.617   5.982 -11.552
   63    HA3  GLY  10           3HA      GLY  10   7.481   7.437 -11.078
   64    H    ILE  11           H        ILE  11   9.249   7.170  -9.504
   65    HA   ILE  11           HA       ILE  11  11.079   5.226 -10.332
   66    HB   ILE  11           HB       ILE  11  11.268   7.496  -8.844
   67   HG12  ILE  11          2HG1      ILE  11  13.051   6.580 -10.207
   68   HG13  ILE  11          3HG1      ILE  11  13.669   6.896  -8.589
   69   HG21  ILE  11          1HG2      ILE  11  10.461   6.190  -6.857
   70   HG22  ILE  11          2HG2      ILE  11  11.963   5.270  -6.941
   71   HG23  ILE  11          3HG2      ILE  11  12.008   7.007  -6.638
   72   HD11  ILE  11          3HD1      ILE  11  14.513   4.796  -9.404
   73   HD12  ILE  11          1HD1      ILE  11  13.412   4.510  -8.057
   74   HD13  ILE  11          2HD1      ILE  11  12.875   4.221  -9.712
   75    H    ILE  12           H        ILE  12   8.605   5.128  -7.917
   76    HA   ILE  12           HA       ILE  12   9.703   2.757  -6.637
   77    HB   ILE  12           HB       ILE  12   7.050   4.105  -6.127
   78   HG12  ILE  12          2HG1      ILE  12   9.708   4.463  -4.726
   79   HG13  ILE  12          3HG1      ILE  12   8.902   5.660  -5.733
   80   HG21  ILE  12          1HG2      ILE  12   8.627   2.277  -4.329
   81   HG22  ILE  12          2HG2      ILE  12   6.983   2.868  -4.096
   82   HG23  ILE  12          3HG2      ILE  12   7.333   1.723  -5.391
   83   HD11  ILE  12          3HD1      ILE  12   7.911   4.576  -3.108
   84   HD12  ILE  12          1HD1      ILE  12   8.591   6.176  -3.399
   85   HD13  ILE  12          2HD1      ILE  12   7.048   5.728  -4.127
   86    H    ASN  13           H        ASN  13   9.594   1.077  -8.059
   87    HA   ASN  13           HA       ASN  13   7.147   0.551  -9.527
   88    HB2  ASN  13           HB2      ASN  13   9.788  -0.919  -9.412
   89    HB3  ASN  13           HB3      ASN  13   8.433  -1.398 -10.429
   90   HD21  ASN  13          1HD2      ASN  13  10.506   1.378  -9.707
   91   HD22  ASN  13          2HD2      ASN  13  10.559   1.979 -11.326
   92    H    GLN  14           H        GLN  14   7.836   0.172  -6.443
   93    HA   GLN  14           HA       GLN  14   7.157  -2.597  -6.040
   94    HB2  GLN  14           HB2      GLN  14   7.625  -0.256  -4.218
   95    HB3  GLN  14           HB3      GLN  14   6.953  -1.758  -3.596
   96    HG2  GLN  14           2HG      GLN  14   9.338  -1.701  -3.250
   97    HG3  GLN  14           3HG      GLN  14   8.921  -2.966  -4.405
   98   HE21  GLN  14          1HE2      GLN  14   9.204   0.515  -4.910
   99   HE22  GLN  14          2HE2      GLN  14  10.481   0.425  -6.069
  100    H    CYS  15           H        CYS  15   5.160  -2.285  -7.418
  101    HA   CYS  15           HA       CYS  15   2.929  -1.070  -5.974
  102    HB2  CYS  15           HB2      CYS  15   3.500  -0.968  -8.589
  103    HB3  CYS  15           HB3      CYS  15   2.512  -2.426  -8.587
  104    H    CYS  16           H        CYS  16   2.106  -2.353  -4.444
  105    HA   CYS  16           HA       CYS  16   2.270  -5.086  -4.216
  106    HB2  CYS  16           HB2      CYS  16   0.518  -2.992  -3.095
  107    HB3  CYS  16           HB3      CYS  16  -0.140  -4.624  -3.040
  108    H    ASP  17           H        ASP  17  -0.807  -3.518  -5.074
  109    HA   ASP  17           HA       ASP  17  -1.218  -5.562  -7.140
  110    HB2  ASP  17           HB2      ASP  17  -2.860  -5.073  -4.719
  111    HB3  ASP  17           HB3      ASP  17  -3.740  -5.336  -6.222
  112    HA   PRO  18           HA       PRO  18  -3.474  -6.044  -8.088
  113    HB2  PRO  18           HB2      PRO  18  -3.731  -6.119 -10.790
  114    HB3  PRO  18           HB3      PRO  18  -5.001  -5.514  -9.720
  115    HG2  PRO  18           2HG      PRO  18  -2.973  -3.987 -11.306
  116    HG3  PRO  18           3HG      PRO  18  -4.701  -3.656 -11.086
  117    HD2  PRO  18           2HD      PRO  18  -2.778  -2.342  -9.703
  118    HD3  PRO  18           3HD      PRO  18  -4.380  -2.686  -9.020
  119    H    TRP  19           H        TRP  19  -1.318  -4.537 -10.503
  120    HA   TRP  19           HA       TRP  19   0.584  -6.735 -10.046
  121    HB2  TRP  19           HB2      TRP  19  -0.249  -5.567 -12.708
  122    HB3  TRP  19           HB3      TRP  19   1.148  -6.617 -12.491
  123    HD1  TRP  19           HD1      TRP  19  -2.622  -6.690 -12.793
  124    HE1  TRP  19           HE1      TRP  19  -3.420  -9.136 -12.865
  125    HE3  TRP  19           HE3      TRP  19   1.766  -9.013 -11.574
  126    HZ2  TRP  19           HZ2      TRP  19  -2.334 -11.709 -12.457
  127    HZ3  TRP  19           HZ3      TRP  19   1.802 -11.469 -11.436
  128    HH2  TRP  19           HH2      TRP  19  -0.207 -12.787 -11.868
  129    H    LEU  20           H        LEU  20   0.978  -4.198 -12.417
  130    HA   LEU  20           HA       LEU  20   2.894  -2.838 -10.649
  131    HB2  LEU  20           HB2      LEU  20   4.118  -2.477 -12.980
  132    HB3  LEU  20           HB3      LEU  20   4.455  -3.851 -11.929
  133    HG   LEU  20           HG       LEU  20   2.904  -5.219 -13.301
  134   HD11  LEU  20          1HD1      LEU  20   2.697  -2.649 -14.821
  135   HD12  LEU  20          2HD1      LEU  20   1.418  -3.742 -14.295
  136   HD13  LEU  20          3HD1      LEU  20   2.474  -4.200 -15.631
  137   HD21  LEU  20          3HD2      LEU  20   5.090  -3.928 -14.926
  138   HD22  LEU  20          1HD2      LEU  20   4.427  -5.551 -15.120
  139   HD23  LEU  20          2HD2      LEU  20   5.364  -5.148 -13.681
  140    H    CYS  21           H        CYS  21   3.421  -0.631 -11.343
  141    HA   CYS  21           HA       CYS  21   1.040   0.682 -12.410
  142    HB2  CYS  21           HB2      CYS  21   2.094   2.760 -11.541
  143    HB3  CYS  21           HB3      CYS  21   1.857   1.536 -10.297
  144    H    THR  22           H        THR  22   0.953   1.512 -14.389
  145    HA   THR  22           HA       THR  22   3.452   2.191 -15.772
  146    HB   THR  22           HB       THR  22   1.484   0.148 -16.578
  147    HG1  THR  22           HG1      THR  22   3.817  -0.116 -16.162
  148   HG21  THR  22          3HG2      THR  22   0.840   1.765 -18.211
  149   HG22  THR  22          1HG2      THR  22   1.916   0.620 -19.012
  150   HG23  THR  22          2HG2      THR  22   2.518   2.205 -18.526
  151    HA   PRO  23           HA       PRO  23   4.063   3.018 -17.702
  152    HB2  PRO  23           HB2      PRO  23   5.158   5.491 -17.934
  153    HB3  PRO  23           HB3      PRO  23   4.138   4.771 -19.186
  154    HG2  PRO  23           2HG      PRO  23   3.418   6.763 -17.070
  155    HG3  PRO  23           3HG      PRO  23   2.959   6.735 -18.782
  156    HD2  PRO  23           2HD      PRO  23   1.294   5.906 -16.814
  157    HD3  PRO  23           3HD      PRO  23   1.285   5.188 -18.438
  158    HA   PRO  24           HA       PRO  24   6.450   3.246 -14.017
  159    HB2  PRO  24           HB2      PRO  24   8.977   3.638 -14.926
  160    HB3  PRO  24           HB3      PRO  24   8.117   2.105 -15.111
  161    HG2  PRO  24           2HG      PRO  24   8.504   4.311 -17.097
  162    HG3  PRO  24           3HG      PRO  24   8.620   2.558 -17.335
  163    HD2  PRO  24           2HD      PRO  24   6.431   3.983 -18.048
  164    HD3  PRO  24           3HD      PRO  24   6.335   2.300 -17.490
  165    H    ILE  25           H        ILE  25   6.047   5.959 -15.939
  166    HA   ILE  25           HA       ILE  25   7.513   7.681 -14.054
  167    HB   ILE  25           HB       ILE  25   6.479   8.471 -16.775
  168   HG12  ILE  25          2HG1      ILE  25   9.297   7.681 -16.010
  169   HG13  ILE  25          3HG1      ILE  25   8.184   6.660 -16.914
  170   HG21  ILE  25          1HG2      ILE  25   8.600  10.086 -16.131
  171   HG22  ILE  25          2HG2      ILE  25   6.898  10.504 -15.950
  172   HG23  ILE  25          3HG2      ILE  25   7.797   9.859 -14.577
  173   HD11  ILE  25          3HD1      ILE  25   9.821   8.905 -17.800
  174   HD12  ILE  25          1HD1      ILE  25   9.165   7.544 -18.709
  175   HD13  ILE  25          2HD1      ILE  25   8.157   8.954 -18.381
  176    H    ILE  26           H        ILE  26   5.615   7.255 -12.613
  177    HA   ILE  26           HA       ILE  26   3.760   8.020 -11.540
  178    HB   ILE  26           HB       ILE  26   3.971  10.365 -13.431
  179   HG12  ILE  26          2HG1      ILE  26   4.928  11.347 -11.161
  180   HG13  ILE  26          3HG1      ILE  26   5.340   9.661 -10.872
  181   HG21  ILE  26          1HG2      ILE  26   2.772  11.524 -11.511
  182   HG22  ILE  26          2HG2      ILE  26   1.816  10.418 -12.496
  183   HG23  ILE  26          3HG2      ILE  26   2.401   9.907 -10.912
  184   HD11  ILE  26          3HD1      ILE  26   6.819   9.590 -12.656
  185   HD12  ILE  26          1HD1      ILE  26   6.117  11.015 -13.421
  186   HD13  ILE  26          2HD1      ILE  26   7.087  11.187 -11.957
  187    H    GLY  27           H        GLY  27   2.216   6.548 -12.060
  188    HA2  GLY  27           2HA      GLY  27   0.257   7.372 -14.046
  189    HA3  GLY  27           3HA      GLY  27   1.039   5.827 -14.345
  190    H    PHE  28           H        PHE  28  -0.718   4.520 -14.069
  191    HA   PHE  28           HA       PHE  28  -1.783   4.389 -11.330
  192    HB2  PHE  28           HB2      PHE  28  -3.359   4.122 -13.898
  193    HB3  PHE  28           HB3      PHE  28  -3.993   3.754 -12.297
  194    HD1  PHE  28           HD1      PHE  28  -3.931   5.658 -10.562
  195    HD2  PHE  28           HD2      PHE  28  -3.549   6.259 -14.758
  196    HE1  PHE  28           HE1      PHE  28  -4.592   8.011 -10.281
  197    HE2  PHE  28           HE2      PHE  28  -4.209   8.614 -14.484
  198    HZ   PHE  28           HZ       PHE  28  -4.730   9.493 -12.244
  199    H    CYS  29           H        CYS  29  -2.030   2.374 -10.475
  200    HA   CYS  29           HA       CYS  29  -0.637   0.228 -11.769
  201    HB2  CYS  29           HB2      CYS  29  -1.106   0.890  -9.159
  202    HB3  CYS  29           HB3      CYS  29  -2.250  -0.427  -9.395
  203    H    LEU  30           H        LEU  30  -1.443  -1.377 -12.960
  204    HA   LEU  30           HA       LEU  30  -4.180  -2.250 -12.674
  205    HB2  LEU  30           HB2      LEU  30  -4.972  -1.701 -14.794
  206    HB3  LEU  30           HB3      LEU  30  -4.164  -0.237 -14.238
  207    HG   LEU  30           HG       LEU  30  -2.932  -2.235 -16.132
  208   HD11  LEU  30          1HD1      LEU  30  -3.716  -1.079 -17.919
  209   HD12  LEU  30          2HD1      LEU  30  -3.806   0.446 -17.038
  210   HD13  LEU  30          3HD1      LEU  30  -5.053  -0.780 -16.807
  211   HD21  LEU  30          3HD2      LEU  30  -1.144  -1.108 -15.243
  212   HD22  LEU  30          1HD2      LEU  30  -2.076   0.358 -14.940
  213   HD23  LEU  30          2HD2      LEU  30  -1.566  -0.039 -16.581
  Start of MODEL   16
    1    H1   CYS   1           H        CYS   1   1.377  -0.662   0.818
    2    HA   CYS   1           HA       CYS   1   2.819   0.432  -1.148
    3    HB2  CYS   1           HB2      CYS   1   2.797  -1.858  -2.287
    4    HB3  CYS   1           HB3      CYS   1   3.297  -1.812  -0.600
    5    H    ILE   2           H        ILE   2   0.863   1.981  -1.713
    6    HA   ILE   2           HA       ILE   2  -0.407   2.858  -3.385
    7    HB   ILE   2           HB       ILE   2   0.702   0.600  -5.056
    8   HG12  ILE   2          2HG1      ILE   2   2.495   1.954  -4.112
    9   HG13  ILE   2          3HG1      ILE   2   2.338   2.283  -5.834
   10   HG21  ILE   2          1HG2      ILE   2  -1.194   1.500  -6.157
   11   HG22  ILE   2          2HG2      ILE   2  -0.717   3.153  -5.773
   12   HG23  ILE   2          3HG2      ILE   2   0.221   2.212  -6.932
   13   HD11  ILE   2          3HD1      ILE   2   1.791   4.027  -3.506
   14   HD12  ILE   2          1HD1      ILE   2   2.536   4.403  -5.059
   15   HD13  ILE   2          2HD1      ILE   2   0.784   4.227  -4.940
   16    H    ALA   3           H        ALA   3  -2.521   2.685  -3.047
   17    HA   ALA   3           HA       ALA   3  -3.924   0.310  -2.578
   18    HB1  ALA   3           1HB      ALA   3  -4.512   3.090  -2.681
   19    HB2  ALA   3           HB2      ALA   3  -5.732   2.226  -3.619
   20    HB3  ALA   3           HB3      ALA   3  -5.443   1.791  -1.934
   21    H    HIS   4           H        HIS   4  -5.673  -0.614  -3.884
   22    HA   HIS   4           HA       HIS   4  -4.839  -1.565  -6.331
   23    HB2  HIS   4           HB2      HIS   4  -7.408  -1.488  -4.876
   24    HB3  HIS   4           HB3      HIS   4  -7.534  -1.743  -6.614
   25    HD1  HIS   4           HD1      HIS   4  -5.635  -3.234  -3.671
   26    HD2  HIS   4           HD2      HIS   4  -7.260  -4.336  -7.333
   27    HE1  HIS   4           HE1      HIS   4  -5.316  -5.724  -3.826
   28    H    TYR   5           H        TYR   5  -4.548  -0.625  -8.231
   29    HA   TYR   5           HA       TYR   5  -4.715   0.803  -9.993
   30    HB2  TYR   5           HB2      TYR   5  -7.506   1.493  -9.115
   31    HB3  TYR   5           HB3      TYR   5  -6.860   1.386 -10.749
   32    HD1  TYR   5           HD1      TYR   5  -5.515  -1.265 -10.615
   33    HD2  TYR   5           HD2      TYR   5  -9.307  -0.002  -9.156
   34    HE1  TYR   5           HE1      TYR   5  -6.346  -3.572 -10.796
   35    HE2  TYR   5           HE2      TYR   5 -10.148  -2.306  -9.333
   36    HH   TYR   5           HH       TYR   5  -8.538  -4.725 -11.037
   37    H    GLY   6           H        GLY   6  -3.678   1.798  -7.521
   38    HA2  GLY   6           2HA      GLY   6  -4.678   4.549  -7.378
   39    HA3  GLY   6           3HA      GLY   6  -3.569   3.792  -6.245
   40    H    LYS   7           H        LYS   7  -3.040   6.302  -7.177
   41    HA   LYS   7           HA       LYS   7  -1.372   6.321  -9.481
   42    HB2  LYS   7           HB2      LYS   7  -2.533   8.245  -7.899
   43    HB3  LYS   7           HB3      LYS   7  -0.833   8.388  -7.471
   44    HG2  LYS   7           2HG      LYS   7  -1.322   8.203 -10.347
   45    HG3  LYS   7           3HG      LYS   7  -2.037   9.621  -9.578
   46    HD2  LYS   7           2HD      LYS   7   0.844   8.784  -9.270
   47    HD3  LYS   7           3HD      LYS   7   0.275   9.990 -10.426
   48    HE2  LYS   7           2HE      LYS   7  -0.833  10.965  -8.189
   49    HE3  LYS   7           3HE      LYS   7   0.566  10.155  -7.485
   50    HZ1  LYS   7           3HZ      LYS   7   1.882  11.389  -9.271
   51    HZ2  LYS   7           1HZ      LYS   7   1.317  12.286  -7.953
   52    HZ3  LYS   7           2HZ      LYS   7   0.512  12.368  -9.438
   53    H    CYS   8           H        CYS   8   0.908   6.571  -9.579
   54    HA   CYS   8           HA       CYS   8   2.323   5.458  -7.244
   55    HB2  CYS   8           HB2      CYS   8   2.183   4.486  -9.910
   56    HB3  CYS   8           HB3      CYS   8   3.822   5.072  -9.650
   57    H    ASP   9           H        ASP   9   4.405   6.248  -6.787
   58    HA   ASP   9           HA       ASP   9   4.752   9.022  -7.230
   59    HB2  ASP   9           HB2      ASP   9   6.336   6.864  -5.908
   60    HB3  ASP   9           HB3      ASP   9   7.143   8.386  -6.277
   61    H    GLY  10           H        GLY  10   5.757   6.224  -8.973
   62    HA2  GLY  10           2HA      GLY  10   6.375   6.715 -11.326
   63    HA3  GLY  10           3HA      GLY  10   7.464   7.932 -10.678
   64    H    ILE  11           H        ILE  11   9.374   7.272  -9.612
   65    HA   ILE  11           HA       ILE  11  10.682   5.086 -10.769
   66    HB   ILE  11           HB       ILE  11  11.505   7.239  -9.322
   67   HG12  ILE  11          2HG1      ILE  11  12.845   6.092 -10.986
   68   HG13  ILE  11          3HG1      ILE  11  13.778   6.244  -9.500
   69   HG21  ILE  11          1HG2      ILE  11  10.845   6.013  -7.233
   70   HG22  ILE  11          2HG2      ILE  11  12.132   4.861  -7.587
   71   HG23  ILE  11          3HG2      ILE  11  12.523   6.554  -7.285
   72   HD11  ILE  11          3HD1      ILE  11  14.101   4.064 -10.467
   73   HD12  ILE  11          1HD1      ILE  11  13.223   3.916  -8.945
   74   HD13  ILE  11          2HD1      ILE  11  12.362   3.777 -10.478
   75    H    ILE  12           H        ILE  12   8.683   5.313  -7.955
   76    HA   ILE  12           HA       ILE  12   9.535   2.689  -6.988
   77    HB   ILE  12           HB       ILE  12   7.540   4.624  -5.805
   78   HG12  ILE  12          2HG1      ILE  12   9.836   4.230  -4.170
   79   HG13  ILE  12          3HG1      ILE  12  10.397   4.606  -5.796
   80   HG21  ILE  12          1HG2      ILE  12   6.851   2.742  -4.775
   81   HG22  ILE  12          2HG2      ILE  12   8.349   1.879  -5.118
   82   HG23  ILE  12          3HG2      ILE  12   8.274   3.015  -3.771
   83   HD11  ILE  12          3HD1      ILE  12   9.221   6.326  -3.798
   84   HD12  ILE  12          1HD1      ILE  12  10.115   6.737  -5.261
   85   HD13  ILE  12          2HD1      ILE  12   8.379   6.438  -5.344
   86    H    ASN  13           H        ASN  13   8.699   1.266  -8.486
   87    HA   ASN  13           HA       ASN  13   5.807   1.330  -8.964
   88    HB2  ASN  13           HB2      ASN  13   7.963  -0.305 -10.321
   89    HB3  ASN  13           HB3      ASN  13   6.260  -0.277 -10.771
   90   HD21  ASN  13          1HD2      ASN  13   9.078   1.817 -10.369
   91   HD22  ASN  13          2HD2      ASN  13   8.668   2.908 -11.644
   92    H    GLN  14           H        GLN  14   7.312   0.351  -6.500
   93    HA   GLN  14           HA       GLN  14   6.807  -2.484  -6.446
   94    HB2  GLN  14           HB2      GLN  14   7.777  -0.473  -4.442
   95    HB3  GLN  14           HB3      GLN  14   7.303  -2.085  -3.924
   96    HG2  GLN  14           2HG      GLN  14   9.513  -2.446  -4.252
   97    HG3  GLN  14           3HG      GLN  14   8.929  -2.801  -5.878
   98   HE21  GLN  14          1HE2      GLN  14   9.654  -1.619  -7.539
   99   HE22  GLN  14          2HE2      GLN  14  10.699  -0.251  -7.397
  100    H    CYS  15           H        CYS  15   4.496  -2.093  -7.110
  101    HA   CYS  15           HA       CYS  15   2.801  -1.449  -4.794
  102    HB2  CYS  15           HB2      CYS  15   0.970  -1.210  -6.470
  103    HB3  CYS  15           HB3      CYS  15   2.292  -0.073  -6.711
  104    H    CYS  16           H        CYS  16   2.236  -3.197  -3.683
  105    HA   CYS  16           HA       CYS  16   2.449  -5.817  -4.271
  106    HB2  CYS  16           HB2      CYS  16   0.094  -4.611  -2.803
  107    HB3  CYS  16           HB3      CYS  16   0.661  -6.272  -2.666
  108    H    ASP  17           H        ASP  17  -0.655  -4.107  -4.694
  109    HA   ASP  17           HA       ASP  17  -1.181  -5.834  -7.020
  110    HB2  ASP  17           HB2      ASP  17  -2.785  -5.444  -4.578
  111    HB3  ASP  17           HB3      ASP  17  -3.691  -5.324  -6.084
  112    HA   PRO  18           HA       PRO  18  -3.506  -5.945  -7.997
  113    HB2  PRO  18           HB2      PRO  18  -3.755  -5.769 -10.695
  114    HB3  PRO  18           HB3      PRO  18  -4.940  -5.086  -9.574
  115    HG2  PRO  18           2HG      PRO  18  -2.716  -3.722 -11.042
  116    HG3  PRO  18           3HG      PRO  18  -4.385  -3.182 -10.788
  117    HD2  PRO  18           2HD      PRO  18  -2.313  -2.252  -9.314
  118    HD3  PRO  18           3HD      PRO  18  -3.950  -2.431  -8.653
  119    H    TRP  19           H        TRP  19  -1.175  -4.565 -10.324
  120    HA   TRP  19           HA       TRP  19   0.431  -7.012 -10.031
  121    HB2  TRP  19           HB2      TRP  19  -0.258  -5.579 -12.602
  122    HB3  TRP  19           HB3      TRP  19   0.997  -6.808 -12.471
  123    HD1  TRP  19           HD1      TRP  19  -2.752  -6.387 -12.735
  124    HE1  TRP  19           HE1      TRP  19  -3.853  -8.703 -12.949
  125    HE3  TRP  19           HE3      TRP  19   1.310  -9.316 -11.708
  126    HZ2  TRP  19           HZ2      TRP  19  -3.100 -11.413 -12.714
  127    HZ3  TRP  19           HZ3      TRP  19   1.035 -11.761 -11.722
  128    HH2  TRP  19           HH2      TRP  19  -1.125 -12.786 -12.215
  129    H    LEU  20           H        LEU  20   1.185  -4.455 -12.272
  130    HA   LEU  20           HA       LEU  20   3.273  -3.475 -10.441
  131    HB2  LEU  20           HB2      LEU  20   4.584  -3.097 -12.644
  132    HB3  LEU  20           HB3      LEU  20   4.554  -4.698 -11.906
  133    HG   LEU  20           HG       LEU  20   2.760  -5.330 -13.523
  134   HD11  LEU  20          1HD1      LEU  20   2.872  -3.738 -15.618
  135   HD12  LEU  20          2HD1      LEU  20   3.232  -2.526 -14.390
  136   HD13  LEU  20          3HD1      LEU  20   1.731  -3.447 -14.305
  137   HD21  LEU  20          3HD2      LEU  20   5.320  -5.626 -13.807
  138   HD22  LEU  20          1HD2      LEU  20   5.152  -4.386 -15.050
  139   HD23  LEU  20          2HD2      LEU  20   4.260  -5.901 -15.190
  140    H    CYS  21           H        CYS  21   4.082  -1.304 -10.987
  141    HA   CYS  21           HA       CYS  21   1.868   0.432 -11.681
  142    HB2  CYS  21           HB2      CYS  21   4.426   0.696 -10.249
  143    HB3  CYS  21           HB3      CYS  21   3.981   2.103 -11.210
  144    H    THR  22           H        THR  22   1.566   1.347 -13.599
  145    HA   THR  22           HA       THR  22   3.806   1.987 -15.324
  146    HB   THR  22           HB       THR  22   1.935  -0.248 -15.900
  147    HG1  THR  22           HG1      THR  22   4.315  -0.330 -15.517
  148   HG21  THR  22          3HG2      THR  22   2.844   1.745 -17.973
  149   HG22  THR  22          1HG2      THR  22   1.194   1.243 -17.609
  150   HG23  THR  22          2HG2      THR  22   2.314   0.109 -18.365
  151    HA   PRO  23           HA       PRO  23   4.188   2.854 -17.254
  152    HB2  PRO  23           HB2      PRO  23   4.943   5.440 -17.590
  153    HB3  PRO  23           HB3      PRO  23   3.953   4.568 -18.766
  154    HG2  PRO  23           2HG      PRO  23   3.109   6.501 -16.641
  155    HG3  PRO  23           3HG      PRO  23   2.559   6.376 -18.322
  156    HD2  PRO  23           2HD      PRO  23   1.130   5.390 -16.244
  157    HD3  PRO  23           3HD      PRO  23   1.118   4.639 -17.853
  158    HA   PRO  24           HA       PRO  24   6.720   3.453 -13.710
  159    HB2  PRO  24           HB2      PRO  24   9.136   4.084 -14.776
  160    HB3  PRO  24           HB3      PRO  24   8.440   2.462 -14.867
  161    HG2  PRO  24           2HG      PRO  24   8.472   4.628 -16.933
  162    HG3  PRO  24           3HG      PRO  24   8.767   2.891 -17.129
  163    HD2  PRO  24           2HD      PRO  24   6.398   4.045 -17.752
  164    HD3  PRO  24           3HD      PRO  24   6.519   2.382 -17.143
  165    H    ILE  25           H        ILE  25   6.048   6.052 -15.775
  166    HA   ILE  25           HA       ILE  25   7.272   7.966 -13.899
  167    HB   ILE  25           HB       ILE  25   6.946   9.628 -15.801
  168   HG12  ILE  25          2HG1      ILE  25   7.082   7.377 -17.719
  169   HG13  ILE  25          3HG1      ILE  25   5.512   7.657 -16.974
  170   HG21  ILE  25          1HG2      ILE  25   9.148   9.054 -15.350
  171   HG22  ILE  25          2HG2      ILE  25   8.913   7.374 -15.830
  172   HG23  ILE  25          3HG2      ILE  25   8.978   8.640 -17.056
  173   HD11  ILE  25          3HD1      ILE  25   5.795   8.809 -19.131
  174   HD12  ILE  25          1HD1      ILE  25   5.475   9.914 -17.794
  175   HD13  ILE  25          2HD1      ILE  25   7.113   9.747 -18.428
  176    H    ILE  26           H        ILE  26   5.588   8.071 -12.427
  177    HA   ILE  26           HA       ILE  26   3.565   8.660 -11.550
  178    HB   ILE  26           HB       ILE  26   3.668  10.671 -13.801
  179   HG12  ILE  26          2HG1      ILE  26   4.350  12.101 -11.675
  180   HG13  ILE  26          3HG1      ILE  26   4.881  10.534 -11.075
  181   HG21  ILE  26          1HG2      ILE  26   1.659  11.340 -13.139
  182   HG22  ILE  26          2HG2      ILE  26   1.632  10.104 -11.882
  183   HG23  ILE  26          3HG2      ILE  26   2.324  11.691 -11.544
  184   HD11  ILE  26          3HD1      ILE  26   6.484  10.309 -12.749
  185   HD12  ILE  26          1HD1      ILE  26   5.744  11.555 -13.753
  186   HD13  ILE  26          2HD1      ILE  26   6.587  12.003 -12.269
  187    H    GLY  27           H        GLY  27   2.488   6.708 -12.078
  188    HA2  GLY  27           2HA      GLY  27   0.357   7.104 -14.052
  189    HA3  GLY  27           3HA      GLY  27   1.358   5.666 -14.197
  190    H    PHE  28           H        PHE  28  -0.443   4.316 -13.880
  191    HA   PHE  28           HA       PHE  28  -1.294   4.151 -11.069
  192    HB2  PHE  28           HB2      PHE  28  -3.099   3.618 -13.436
  193    HB3  PHE  28           HB3      PHE  28  -3.549   3.586 -11.734
  194    HD1  PHE  28           HD1      PHE  28  -3.356   5.769 -10.423
  195    HD2  PHE  28           HD2      PHE  28  -3.294   5.572 -14.674
  196    HE1  PHE  28           HE1      PHE  28  -3.967   8.150 -10.539
  197    HE2  PHE  28           HE2      PHE  28  -3.903   7.952 -14.798
  198    HZ   PHE  28           HZ       PHE  28  -4.240   9.245 -12.729
  199    H    CYS  29           H        CYS  29  -1.424   2.122 -10.205
  200    HA   CYS  29           HA       CYS  29  -0.002   0.043 -11.557
  201    HB2  CYS  29           HB2      CYS  29  -0.139   0.588  -9.004
  202    HB3  CYS  29           HB3      CYS  29  -1.589  -0.410  -9.052
  203    H    LEU  30           H        LEU  30  -0.779  -1.524 -12.805
  204    HA   LEU  30           HA       LEU  30  -3.564  -2.366 -12.511
  205    HB2  LEU  30           HB2      LEU  30  -3.960  -2.255 -14.903
  206    HB3  LEU  30           HB3      LEU  30  -3.578  -0.663 -14.251
  207    HG   LEU  30           HG       LEU  30  -1.443  -2.315 -15.546
  208   HD11  LEU  30          1HD1      LEU  30  -3.158  -0.394 -17.084
  209   HD12  LEU  30          2HD1      LEU  30  -3.514  -2.120 -17.024
  210   HD13  LEU  30          3HD1      LEU  30  -1.982  -1.558 -17.693
  211   HD21  LEU  30          3HD2      LEU  30  -1.908   0.563 -14.885
  212   HD22  LEU  30          1HD2      LEU  30  -0.809   0.123 -16.193
  213   HD23  LEU  30          2HD2      LEU  30  -0.504  -0.453 -14.554
  Start of MODEL   17
    1    H1   CYS   1           H        CYS   1   1.671  -0.618   0.755
    2    HA   CYS   1           HA       CYS   1   2.875   0.699  -1.178
    3    HB2  CYS   1           HB2      CYS   1   3.175  -1.497  -2.447
    4    HB3  CYS   1           HB3      CYS   1   3.651  -1.493  -0.752
    5    H    ILE   2           H        ILE   2   0.980   2.109  -1.826
    6    HA   ILE   2           HA       ILE   2  -0.355   2.915  -3.483
    7    HB   ILE   2           HB       ILE   2   0.697   0.605  -5.119
    8   HG12  ILE   2          2HG1      ILE   2   2.499   2.030  -4.207
    9   HG13  ILE   2          3HG1      ILE   2   2.367   2.172  -5.957
   10   HG21  ILE   2          1HG2      ILE   2   0.189   2.227  -7.009
   11   HG22  ILE   2          2HG2      ILE   2  -1.192   1.464  -6.222
   12   HG23  ILE   2          3HG2      ILE   2  -0.765   3.130  -5.832
   13   HD11  ILE   2          3HD1      ILE   2   0.719   4.168  -4.867
   14   HD12  ILE   2          1HD1      ILE   2   2.234   4.207  -3.966
   15   HD13  ILE   2          2HD1      ILE   2   2.249   4.364  -5.723
   16    H    ALA   3           H        ALA   3  -2.449   2.727  -3.026
   17    HA   ALA   3           HA       ALA   3  -3.806   0.349  -2.452
   18    HB1  ALA   3           1HB      ALA   3  -4.794   3.066  -3.280
   19    HB2  ALA   3           HB2      ALA   3  -5.880   1.744  -2.852
   20    HB3  ALA   3           HB3      ALA   3  -4.739   2.368  -1.661
   21    H    HIS   4           H        HIS   4  -5.605  -0.612  -3.662
   22    HA   HIS   4           HA       HIS   4  -4.873  -1.604  -6.124
   23    HB2  HIS   4           HB2      HIS   4  -7.362  -1.529  -4.547
   24    HB3  HIS   4           HB3      HIS   4  -7.588  -1.783  -6.275
   25    HD1  HIS   4           HD1      HIS   4  -5.481  -3.267  -3.471
   26    HD2  HIS   4           HD2      HIS   4  -7.390  -4.381  -6.989
   27    HE1  HIS   4           HE1      HIS   4  -5.177  -5.757  -3.642
   28    H    TYR   5           H        TYR   5  -4.671  -0.699  -8.053
   29    HA   TYR   5           HA       TYR   5  -4.925   0.691  -9.834
   30    HB2  TYR   5           HB2      TYR   5  -7.678   1.382  -8.840
   31    HB3  TYR   5           HB3      TYR   5  -7.106   1.260 -10.500
   32    HD1  TYR   5           HD1      TYR   5  -5.729  -1.385 -10.373
   33    HD2  TYR   5           HD2      TYR   5  -9.477  -0.120  -8.805
   34    HE1  TYR   5           HE1      TYR   5  -6.552  -3.700 -10.488
   35    HE2  TYR   5           HE2      TYR   5 -10.309  -2.432  -8.914
   36    HH   TYR   5           HH       TYR   5  -8.200  -5.104  -9.831
   37    H    GLY   6           H        GLY   6  -3.782   1.739  -7.432
   38    HA2  GLY   6           2HA      GLY   6  -4.784   4.491  -7.305
   39    HA3  GLY   6           3HA      GLY   6  -3.633   3.759  -6.198
   40    H    LYS   7           H        LYS   7  -3.137   6.246  -7.198
   41    HA   LYS   7           HA       LYS   7  -1.560   6.220  -9.565
   42    HB2  LYS   7           HB2      LYS   7  -2.511   8.160  -7.702
   43    HB3  LYS   7           HB3      LYS   7  -0.773   8.370  -7.869
   44    HG2  LYS   7           2HG      LYS   7  -1.787   8.018 -10.468
   45    HG3  LYS   7           3HG      LYS   7  -2.866   9.150  -9.648
   46    HD2  LYS   7           2HD      LYS   7  -1.061  10.343 -10.761
   47    HD3  LYS   7           3HD      LYS   7  -0.928  10.516  -9.009
   48    HE2  LYS   7           2HE      LYS   7   0.821   8.881  -8.920
   49    HE3  LYS   7           3HE      LYS   7   0.597   8.476 -10.621
   50    HZ1  LYS   7           3HZ      LYS   7   2.339   9.892 -10.802
   51    HZ2  LYS   7           1HZ      LYS   7   1.932  10.777  -9.419
   52    HZ3  LYS   7           2HZ      LYS   7   1.098  11.041 -10.866
   53    H    CYS   8           H        CYS   8   0.712   6.448  -9.761
   54    HA   CYS   8           HA       CYS   8   2.219   5.394  -7.457
   55    HB2  CYS   8           HB2      CYS   8   1.953   4.331 -10.072
   56    HB3  CYS   8           HB3      CYS   8   3.602   4.928  -9.922
   57    H    ASP   9           H        ASP   9   4.319   6.188  -7.110
   58    HA   ASP   9           HA       ASP   9   4.662   8.944  -7.793
   59    HB2  ASP   9           HB2      ASP   9   5.393   8.284  -5.626
   60    HB3  ASP   9           HB3      ASP   9   6.366   6.969  -6.278
   61    H    GLY  10           H        GLY  10   6.073   5.906  -8.859
   62    HA2  GLY  10           2HA      GLY  10   6.778   5.897 -11.233
   63    HA3  GLY  10           3HA      GLY  10   7.583   7.422 -10.898
   64    H    ILE  11           H        ILE  11   9.247   7.288  -9.079
   65    HA   ILE  11           HA       ILE  11  11.267   5.508  -9.821
   66    HB   ILE  11           HB       ILE  11  11.184   7.735  -8.262
   67   HG12  ILE  11          2HG1      ILE  11  13.122   6.993  -9.513
   68   HG13  ILE  11          3HG1      ILE  11  13.598   7.297  -7.846
   69   HG21  ILE  11          1HG2      ILE  11  10.334   6.319  -6.374
   70   HG22  ILE  11          2HG2      ILE  11  11.895   5.501  -6.374
   71   HG23  ILE  11          3HG2      ILE  11  11.804   7.226  -6.021
   72   HD11  ILE  11          3HD1      ILE  11  13.474   4.883  -7.401
   73   HD12  ILE  11          1HD1      ILE  11  13.082   4.612  -9.099
   74   HD13  ILE  11          2HD1      ILE  11  14.648   5.290  -8.652
   75    H    ILE  12           H        ILE  12   8.655   5.163  -7.572
   76    HA   ILE  12           HA       ILE  12   9.834   2.754  -6.405
   77    HB   ILE  12           HB       ILE  12   7.253   4.164  -5.717
   78   HG12  ILE  12          2HG1      ILE  12   9.076   4.247  -3.574
   79   HG13  ILE  12          3HG1      ILE  12  10.003   4.679  -5.007
   80   HG21  ILE  12          1HG2      ILE  12   8.680   1.882  -4.358
   81   HG22  ILE  12          2HG2      ILE  12   7.284   2.739  -3.706
   82   HG23  ILE  12          3HG2      ILE  12   7.130   1.805  -5.194
   83   HD11  ILE  12          3HD1      ILE  12   8.507   6.480  -5.500
   84   HD12  ILE  12          1HD1      ILE  12   7.420   5.990  -4.200
   85   HD13  ILE  12          2HD1      ILE  12   9.027   6.613  -3.820
   86    H    ASN  13           H        ASN  13   9.679   1.222  -8.006
   87    HA   ASN  13           HA       ASN  13   7.136   0.768  -9.334
   88    HB2  ASN  13           HB2      ASN  13   9.817  -0.612  -9.582
   89    HB3  ASN  13           HB3      ASN  13   8.395  -1.032 -10.533
   90   HD21  ASN  13          1HD2      ASN  13  10.455   1.720  -9.697
   91   HD22  ASN  13          2HD2      ASN  13  10.356   2.486 -11.242
   92    H    GLN  14           H        GLN  14   8.030   0.136  -6.367
   93    HA   GLN  14           HA       GLN  14   7.508  -2.692  -6.185
   94    HB2  GLN  14           HB2      GLN  14   7.924  -0.513  -4.148
   95    HB3  GLN  14           HB3      GLN  14   7.464  -2.144  -3.679
   96    HG2  GLN  14           2HG      GLN  14   9.721  -2.305  -3.485
   97    HG3  GLN  14           3HG      GLN  14   9.530  -2.799  -5.166
   98   HE21  GLN  14          1HE2      GLN  14  10.680  -1.765  -6.641
   99   HE22  GLN  14          2HE2      GLN  14  11.498  -0.261  -6.413
  100    H    CYS  15           H        CYS  15   5.414  -2.365  -7.403
  101    HA   CYS  15           HA       CYS  15   3.232  -1.474  -5.657
  102    HB2  CYS  15           HB2      CYS  15   3.367  -0.564  -7.980
  103    HB3  CYS  15           HB3      CYS  15   3.126  -2.197  -8.592
  104    H    CYS  16           H        CYS  16   2.619  -3.080  -4.339
  105    HA   CYS  16           HA       CYS  16   2.869  -5.805  -4.744
  106    HB2  CYS  16           HB2      CYS  16   0.672  -4.449  -3.169
  107    HB3  CYS  16           HB3      CYS  16   1.264  -6.092  -2.947
  108    H    ASP  17           H        ASP  17  -0.205  -4.008  -4.982
  109    HA   ASP  17           HA       ASP  17  -0.976  -5.780  -7.199
  110    HB2  ASP  17           HB2      ASP  17  -2.348  -5.358  -4.610
  111    HB3  ASP  17           HB3      ASP  17  -3.380  -5.343  -6.038
  112    HA   PRO  18           HA       PRO  18  -3.366  -5.927  -7.953
  113    HB2  PRO  18           HB2      PRO  18  -3.870  -5.749 -10.614
  114    HB3  PRO  18           HB3      PRO  18  -4.957  -5.092  -9.385
  115    HG2  PRO  18           2HG      PRO  18  -2.907  -3.682 -11.049
  116    HG3  PRO  18           3HG      PRO  18  -4.555  -3.174 -10.637
  117    HD2  PRO  18           2HD      PRO  18  -2.371  -2.208  -9.360
  118    HD3  PRO  18           3HD      PRO  18  -3.936  -2.421  -8.549
  119    H    TRP  19           H        TRP  19  -1.263  -4.480 -10.449
  120    HA   TRP  19           HA       TRP  19   0.361  -6.935 -10.370
  121    HB2  TRP  19           HB2      TRP  19  -0.496  -5.363 -12.805
  122    HB3  TRP  19           HB3      TRP  19   0.771  -6.586 -12.830
  123    HD1  TRP  19           HD1      TRP  19  -2.990  -6.185 -12.809
  124    HE1  TRP  19           HE1      TRP  19  -4.091  -8.496 -13.081
  125    HE3  TRP  19           HE3      TRP  19   1.150  -9.131 -12.239
  126    HZ2  TRP  19           HZ2      TRP  19  -3.309 -11.208 -13.057
  127    HZ3  TRP  19           HZ3      TRP  19   0.887 -11.573 -12.378
  128    HH2  TRP  19           HH2      TRP  19  -1.297 -12.588 -12.778
  129    H    LEU  20           H        LEU  20   0.969  -4.241 -12.499
  130    HA   LEU  20           HA       LEU  20   3.143  -3.326 -10.744
  131    HB2  LEU  20           HB2      LEU  20   4.384  -2.939 -12.999
  132    HB3  LEU  20           HB3      LEU  20   4.403  -4.526 -12.233
  133    HG   LEU  20           HG       LEU  20   2.586  -5.231 -13.778
  134   HD11  LEU  20          1HD1      LEU  20   1.446  -3.445 -14.583
  135   HD12  LEU  20          2HD1      LEU  20   2.611  -3.617 -15.895
  136   HD13  LEU  20          3HD1      LEU  20   2.874  -2.411 -14.636
  137   HD21  LEU  20          3HD2      LEU  20   4.055  -5.838 -15.421
  138   HD22  LEU  20          1HD2      LEU  20   5.191  -5.339 -14.168
  139   HD23  LEU  20          2HD2      LEU  20   4.806  -4.244 -15.496
  140    H    CYS  21           H        CYS  21   3.936  -1.155 -11.273
  141    HA   CYS  21           HA       CYS  21   1.714   0.573 -12.010
  142    HB2  CYS  21           HB2      CYS  21   4.280   0.917 -10.534
  143    HB3  CYS  21           HB3      CYS  21   3.594   2.331 -11.328
  144    H    THR  22           H        THR  22   1.520   1.508 -13.931
  145    HA   THR  22           HA       THR  22   3.905   2.077 -15.523
  146    HB   THR  22           HB       THR  22   1.748   0.172 -16.284
  147    HG1  THR  22           HG1      THR  22   4.035  -0.342 -15.812
  148   HG21  THR  22          3HG2      THR  22   1.323   1.838 -17.931
  149   HG22  THR  22          1HG2      THR  22   2.311   0.601 -18.708
  150   HG23  THR  22          2HG2      THR  22   3.045   2.117 -18.187
  151    HA   PRO  23           HA       PRO  23   4.475   3.037 -17.337
  152    HB2  PRO  23           HB2      PRO  23   5.559   5.524 -17.440
  153    HB3  PRO  23           HB3      PRO  23   4.522   4.874 -18.716
  154    HG2  PRO  23           2HG      PRO  23   3.829   6.736 -16.476
  155    HG3  PRO  23           3HG      PRO  23   3.343   6.806 -18.180
  156    HD2  PRO  23           2HD      PRO  23   1.712   5.857 -16.239
  157    HD3  PRO  23           3HD      PRO  23   1.679   5.235 -17.901
  158    HA   PRO  24           HA       PRO  24   6.918   3.058 -13.681
  159    HB2  PRO  24           HB2      PRO  24   9.430   3.512 -14.604
  160    HB3  PRO  24           HB3      PRO  24   8.571   1.989 -14.865
  161    HG2  PRO  24           2HG      PRO  24   8.921   4.308 -16.725
  162    HG3  PRO  24           3HG      PRO  24   9.039   2.573 -17.067
  163    HD2  PRO  24           2HD      PRO  24   6.835   4.028 -17.662
  164    HD3  PRO  24           3HD      PRO  24   6.752   2.316 -17.201
  165    H    ILE  25           H        ILE  25   6.312   5.862 -15.305
  166    HA   ILE  25           HA       ILE  25   7.953   7.501 -13.495
  167    HB   ILE  25           HB       ILE  25   6.841   9.284 -15.244
  168   HG12  ILE  25          2HG1      ILE  25   7.595   6.861 -16.884
  169   HG13  ILE  25          3HG1      ILE  25   5.931   7.315 -16.534
  170   HG21  ILE  25          1HG2      ILE  25   9.261   8.824 -14.439
  171   HG22  ILE  25          2HG2      ILE  25   9.403   7.909 -15.939
  172   HG23  ILE  25          3HG2      ILE  25   9.006   9.626 -15.988
  173   HD11  ILE  25          3HD1      ILE  25   6.202   8.270 -18.581
  174   HD12  ILE  25          1HD1      ILE  25   6.695   9.612 -17.549
  175   HD13  ILE  25          2HD1      ILE  25   7.915   8.602 -18.325
  176    H    ILE  26           H        ILE  26   4.776   7.809 -15.092
  177    HA   ILE  26           HA       ILE  26   3.519   8.305 -12.514
  178    HB   ILE  26           HB       ILE  26   3.544  10.344 -14.736
  179   HG12  ILE  26          2HG1      ILE  26   4.034  11.728 -12.497
  180   HG13  ILE  26          3HG1      ILE  26   4.655  10.164 -11.982
  181   HG21  ILE  26          1HG2      ILE  26   2.041  11.443 -12.741
  182   HG22  ILE  26          2HG2      ILE  26   1.398  10.703 -14.206
  183   HG23  ILE  26          3HG2      ILE  26   1.509   9.762 -12.719
  184   HD11  ILE  26          3HD1      ILE  26   5.619  10.793 -14.607
  185   HD12  ILE  26          1HD1      ILE  26   5.965  12.112 -13.490
  186   HD13  ILE  26          2HD1      ILE  26   6.520  10.479 -13.124
  187    H    GLY  27           H        GLY  27   1.657   7.239 -12.443
  188    HA2  GLY  27           2HA      GLY  27  -0.353   7.329 -14.384
  189    HA3  GLY  27           3HA      GLY  27   0.593   5.876 -14.674
  190    H    PHE  28           H        PHE  28  -1.046   4.453 -14.144
  191    HA   PHE  28           HA       PHE  28  -1.684   4.334 -11.275
  192    HB2  PHE  28           HB2      PHE  28  -3.608   3.785 -13.546
  193    HB3  PHE  28           HB3      PHE  28  -3.955   3.553 -11.835
  194    HD1  PHE  28           HD2      PHE  28  -3.769   5.624 -10.321
  195    HD2  PHE  28           HD1      PHE  28  -4.062   5.812 -14.563
  196    HE1  PHE  28           HE2      PHE  28  -4.540   7.955 -10.161
  197    HE2  PHE  28           HE1      PHE  28  -4.832   8.144 -14.410
  198    HZ   PHE  28           HZ       PHE  28  -5.073   9.218 -12.207
  199    H    CYS  29           H        CYS  29  -1.719   2.314 -10.359
  200    HA   CYS  29           HA       CYS  29  -0.272   0.264 -11.724
  201    HB2  CYS  29           HB2      CYS  29  -0.389   0.862  -9.165
  202    HB3  CYS  29           HB3      CYS  29  -1.756  -0.247  -9.174
  203    H    LEU  30           H        LEU  30  -1.015  -1.395 -12.877
  204    HA   LEU  30           HA       LEU  30  -3.756  -2.327 -12.493
  205    HB2  LEU  30           HB2      LEU  30  -2.619  -1.379 -15.114
  206    HB3  LEU  30           HB3      LEU  30  -4.068  -2.374 -14.983
  207    HG   LEU  30           HG       LEU  30  -4.428  -0.121 -13.303
  208   HD11  LEU  30          1HD1      LEU  30  -3.846   0.793 -16.091
  209   HD12  LEU  30          2HD1      LEU  30  -2.575   0.766 -14.870
  210   HD13  LEU  30          3HD1      LEU  30  -4.020   1.743 -14.615
  211   HD21  LEU  30          3HD2      LEU  30  -5.643  -0.643 -16.009
  212   HD22  LEU  30          1HD2      LEU  30  -6.351   0.236 -14.654
  213   HD23  LEU  30          2HD2      LEU  30  -6.113  -1.508 -14.545
  Start of MODEL   18
    1    H1   CYS   1           H        CYS   1   1.849   0.952   0.474
    2    HA   CYS   1           HA       CYS   1   2.988   0.748  -1.484
    3    HB2  CYS   1           HB2      CYS   1   2.902  -1.549  -2.601
    4    HB3  CYS   1           HB3      CYS   1   3.525  -1.490  -0.956
    5    H    ILE   2           H        ILE   2   0.884   2.237  -1.830
    6    HA   ILE   2           HA       ILE   2  -0.523   3.095  -3.400
    7    HB   ILE   2           HB       ILE   2   0.460   0.894  -5.217
    8   HG12  ILE   2          2HG1      ILE   2   2.341   2.184  -4.283
    9   HG13  ILE   2          3HG1      ILE   2   2.136   2.493  -6.004
   10   HG21  ILE   2          1HG2      ILE   2  -1.439   1.882  -6.186
   11   HG22  ILE   2          2HG2      ILE   2  -0.956   3.501  -5.681
   12   HG23  ILE   2          3HG2      ILE   2  -0.066   2.674  -6.958
   13   HD11  ILE   2          3HD1      ILE   2   2.135   4.652  -5.543
   14   HD12  ILE   2          1HD1      ILE   2   0.600   4.429  -4.705
   15   HD13  ILE   2          2HD1      ILE   2   2.117   4.331  -3.809
   16    H    ALA   3           H        ALA   3  -2.624   2.873  -3.051
   17    HA   ALA   3           HA       ALA   3  -3.918   0.477  -2.411
   18    HB1  ALA   3           1HB      ALA   3  -4.608   3.005  -2.110
   19    HB2  ALA   3           HB2      ALA   3  -5.490   2.699  -3.607
   20    HB3  ALA   3           HB3      ALA   3  -5.818   1.723  -2.176
   21    H    HIS   4           H        HIS   4  -5.684  -0.569  -3.603
   22    HA   HIS   4           HA       HIS   4  -4.903  -1.622  -6.026
   23    HB2  HIS   4           HB2      HIS   4  -7.372  -1.597  -4.440
   24    HB3  HIS   4           HB3      HIS   4  -7.641  -1.827  -6.165
   25    HD1  HIS   4           HD1      HIS   4  -5.617  -3.361  -3.343
   26    HD2  HIS   4           HD2      HIS   4  -7.249  -4.375  -7.027
   27    HE1  HIS   4           HE1      HIS   4  -5.240  -5.835  -3.588
   28    H    TYR   5           H        TYR   5  -4.707  -0.777  -7.982
   29    HA   TYR   5           HA       TYR   5  -4.977   0.549  -9.809
   30    HB2  TYR   5           HB2      TYR   5  -7.757   1.204  -8.868
   31    HB3  TYR   5           HB3      TYR   5  -7.164   1.032 -10.517
   32    HD1  TYR   5           HD1      TYR   5  -5.734  -1.568 -10.297
   33    HD2  TYR   5           HD2      TYR   5  -9.511  -0.343  -8.769
   34    HE1  TYR   5           HE1      TYR   5  -6.499  -3.906 -10.331
   35    HE2  TYR   5           HE2      TYR   5 -10.286  -2.676  -8.797
   36    HH   TYR   5           HH       TYR   5  -8.112  -5.326  -9.620
   37    H    GLY   6           H        GLY   6  -3.896   1.703  -7.421
   38    HA2  GLY   6           2HA      GLY   6  -4.960   4.437  -7.426
   39    HA3  GLY   6           3HA      GLY   6  -3.838   3.770  -6.248
   40    H    LYS   7           H        LYS   7  -3.270   6.199  -7.231
   41    HA   LYS   7           HA       LYS   7  -1.669   6.174  -9.580
   42    HB2  LYS   7           HB2      LYS   7  -2.745   8.127  -7.973
   43    HB3  LYS   7           HB3      LYS   7  -1.030   8.241  -7.600
   44    HG2  LYS   7           2HG      LYS   7  -1.576   8.043 -10.456
   45    HG3  LYS   7           3HG      LYS   7  -2.299   9.462  -9.694
   46    HD2  LYS   7           2HD      LYS   7   0.598   8.659  -9.432
   47    HD3  LYS   7           3HD      LYS   7  -0.011   9.866 -10.567
   48    HE2  LYS   7           2HE      LYS   7  -1.087  10.745  -8.234
   49    HE3  LYS   7           3HE      LYS   7   0.426  10.041  -7.665
   50    HZ1  LYS   7           3HZ      LYS   7   0.007  12.305  -9.492
   51    HZ2  LYS   7           1HZ      LYS   7   1.427  11.393  -9.616
   52    HZ3  LYS   7           2HZ      LYS   7   1.049  12.177  -8.166
   53    H    CYS   8           H        CYS   8   0.615   6.393  -9.742
   54    HA   CYS   8           HA       CYS   8   2.075   5.252  -7.450
   55    HB2  CYS   8           HB2      CYS   8   1.784   4.142  -9.967
   56    HB3  CYS   8           HB3      CYS   8   3.360   4.920 -10.053
   57    H    ASP   9           H        ASP   9   4.305   5.901  -7.219
   58    HA   ASP   9           HA       ASP   9   4.648   8.717  -7.726
   59    HB2  ASP   9           HB2      ASP   9   5.380   8.006  -5.592
   60    HB3  ASP   9           HB3      ASP   9   6.277   6.647  -6.264
   61    H    GLY  10           H        GLY  10   5.817   5.720  -9.055
   62    HA2  GLY  10           2HA      GLY  10   6.606   5.723 -11.345
   63    HA3  GLY  10           3HA      GLY  10   7.360   7.279 -11.027
   64    H    ILE  11           H        ILE  11   9.064   7.214  -9.246
   65    HA   ILE  11           HA       ILE  11  11.130   5.497 -10.021
   66    HB   ILE  11           HB       ILE  11  11.007   7.739  -8.488
   67   HG12  ILE  11          2HG1      ILE  11  12.941   7.048  -9.774
   68   HG13  ILE  11          3HG1      ILE  11  13.444   7.387  -8.121
   69   HG21  ILE  11          1HG2      ILE  11  11.697   7.281  -6.256
   70   HG22  ILE  11          2HG2      ILE  11  10.248   6.325  -6.563
   71   HG23  ILE  11          3HG2      ILE  11  11.834   5.555  -6.588
   72   HD11  ILE  11          3HD1      ILE  11  13.408   4.974  -7.648
   73   HD12  ILE  11          1HD1      ILE  11  12.990   4.672  -9.334
   74   HD13  ILE  11          2HD1      ILE  11  14.542   5.406  -8.928
   75    H    ILE  12           H        ILE  12   8.587   5.094  -7.702
   76    HA   ILE  12           HA       ILE  12   9.873   2.726  -6.558
   77    HB   ILE  12           HB       ILE  12   7.306   4.106  -5.766
   78   HG12  ILE  12          2HG1      ILE  12   9.385   4.094  -3.772
   79   HG13  ILE  12          3HG1      ILE  12   9.995   4.795  -5.267
   80   HG21  ILE  12          1HG2      ILE  12   7.575   2.674  -3.699
   81   HG22  ILE  12          2HG2      ILE  12   7.087   1.833  -5.169
   82   HG23  ILE  12          3HG2      ILE  12   8.758   1.740  -4.613
   83   HD11  ILE  12          3HD1      ILE  12   8.311   5.960  -3.293
   84   HD12  ILE  12          1HD1      ILE  12   9.016   6.698  -4.731
   85   HD13  ILE  12          2HD1      ILE  12   7.445   5.900  -4.828
   86    H    ASN  13           H        ASN  13   9.660   1.082  -7.990
   87    HA   ASN  13           HA       ASN  13   7.116   0.613  -9.316
   88    HB2  ASN  13           HB2      ASN  13   9.771  -0.828  -9.481
   89    HB3  ASN  13           HB3      ASN  13   8.346  -1.267 -10.418
   90   HD21  ASN  13          1HD2      ASN  13  10.471   1.472  -9.711
   91   HD22  ASN  13          2HD2      ASN  13  10.389   2.167 -11.291
   92    H    GLN  14           H        GLN  14   7.980   0.120  -6.316
   93    HA   GLN  14           HA       GLN  14   7.415  -2.686  -5.990
   94    HB2  GLN  14           HB2      GLN  14   7.747  -0.430  -4.011
   95    HB3  GLN  14           HB3      GLN  14   7.429  -2.095  -3.540
   96    HG2  GLN  14           2HG      GLN  14   9.692  -2.068  -3.362
   97    HG3  GLN  14           3HG      GLN  14   9.533  -2.569  -5.045
   98   HE21  GLN  14          1HE2      GLN  14  10.100  -1.160  -6.674
   99   HE22  GLN  14          2HE2      GLN  14  10.977   0.300  -6.384
  100    H    CYS  15           H        CYS  15   5.336  -2.404  -7.239
  101    HA   CYS  15           HA       CYS  15   3.154  -1.423  -5.536
  102    HB2  CYS  15           HB2      CYS  15   3.354  -0.560  -7.889
  103    HB3  CYS  15           HB3      CYS  15   3.021  -2.193  -8.455
  104    H    CYS  16           H        CYS  16   2.545  -3.021  -4.197
  105    HA   CYS  16           HA       CYS  16   2.752  -5.740  -4.538
  106    HB2  CYS  16           HB2      CYS  16   0.619  -5.758  -2.998
  107    HB3  CYS  16           HB3      CYS  16   2.155  -5.152  -2.386
  108    H    ASP  17           H        ASP  17  -0.265  -3.892  -5.016
  109    HA   ASP  17           HA       ASP  17  -0.945  -5.702  -7.222
  110    HB2  ASP  17           HB2      ASP  17  -2.329  -5.463  -4.663
  111    HB3  ASP  17           HB3      ASP  17  -3.394  -5.180  -6.038
  112    HA   PRO  18           HA       PRO  18  -3.276  -5.891  -8.099
  113    HB2  PRO  18           HB2      PRO  18  -3.646  -5.698 -10.782
  114    HB3  PRO  18           HB3      PRO  18  -4.810  -5.078  -9.604
  115    HG2  PRO  18           2HG      PRO  18  -2.710  -3.605 -11.148
  116    HG3  PRO  18           3HG      PRO  18  -4.389  -3.139 -10.817
  117    HD2  PRO  18           2HD      PRO  18  -2.297  -2.137  -9.421
  118    HD3  PRO  18           3HD      PRO  18  -3.895  -2.393  -8.693
  119    H    TRP  19           H        TRP  19  -1.093  -4.380 -10.488
  120    HA   TRP  19           HA       TRP  19   0.616  -6.767 -10.304
  121    HB2  TRP  19           HB2      TRP  19  -0.225  -5.316 -12.819
  122    HB3  TRP  19           HB3      TRP  19   1.080  -6.498 -12.758
  123    HD1  TRP  19           HD1      TRP  19  -2.690  -6.219 -12.871
  124    HE1  TRP  19           HE1      TRP  19  -3.709  -8.572 -13.090
  125    HE3  TRP  19           HE3      TRP  19   1.519  -9.005 -12.061
  126    HZ2  TRP  19           HZ2      TRP  19  -2.843 -11.255 -12.939
  127    HZ3  TRP  19           HZ3      TRP  19   1.338 -11.458 -12.115
  128    HH2  TRP  19           HH2      TRP  19  -0.799 -12.558 -12.544
  129    H    LEU  20           H        LEU  20   1.185  -4.144 -12.522
  130    HA   LEU  20           HA       LEU  20   3.230  -3.034 -10.728
  131    HB2  LEU  20           HB2      LEU  20   4.563  -2.734 -12.955
  132    HB3  LEU  20           HB3      LEU  20   4.634  -4.249 -12.058
  133    HG   LEU  20           HG       LEU  20   3.091  -5.282 -13.611
  134   HD11  LEU  20          1HD1      LEU  20   2.705  -3.776 -15.763
  135   HD12  LEU  20          2HD1      LEU  20   2.775  -2.492 -14.557
  136   HD13  LEU  20          3HD1      LEU  20   1.582  -3.782 -14.403
  137   HD21  LEU  20          3HD2      LEU  20   5.543  -3.943 -14.639
  138   HD22  LEU  20          1HD2      LEU  20   4.506  -4.804 -15.778
  139   HD23  LEU  20          2HD2      LEU  20   5.205  -5.659 -14.402
  140    H    CYS  21           H        CYS  21   3.967  -0.869 -11.371
  141    HA   CYS  21           HA       CYS  21   1.716   0.738 -12.220
  142    HB2  CYS  21           HB2      CYS  21   4.478   1.476 -11.235
  143    HB3  CYS  21           HB3      CYS  21   3.236   2.652 -11.653
  144    H    THR  22           H        THR  22   1.403   1.503 -14.200
  145    HA   THR  22           HA       THR  22   3.676   1.989 -15.963
  146    HB   THR  22           HB       THR  22   1.366   0.202 -16.751
  147    HG1  THR  22           HG1      THR  22   3.116  -0.758 -15.502
  148   HG21  THR  22          3HG2      THR  22   2.271   0.114 -18.933
  149   HG22  THR  22          1HG2      THR  22   3.751   0.935 -18.437
  150   HG23  THR  22          2HG2      THR  22   2.230   1.826 -18.510
  151    HA   PRO  23           HA       PRO  23   4.111   2.782 -17.894
  152    HB2  PRO  23           HB2      PRO  23   5.052   5.296 -18.302
  153    HB3  PRO  23           HB3      PRO  23   3.996   4.467 -19.452
  154    HG2  PRO  23           2HG      PRO  23   3.304   6.514 -17.380
  155    HG3  PRO  23           3HG      PRO  23   2.739   6.383 -19.055
  156    HD2  PRO  23           2HD      PRO  23   1.250   5.561 -16.948
  157    HD3  PRO  23           3HD      PRO  23   1.177   4.770 -18.536
  158    HA   PRO  24           HA       PRO  24   6.594   3.233 -14.291
  159    HB2  PRO  24           HB2      PRO  24   9.090   3.337 -15.355
  160    HB3  PRO  24           HB3      PRO  24   8.126   1.856 -15.308
  161    HG2  PRO  24           2HG      PRO  24   8.545   3.773 -17.569
  162    HG3  PRO  24           3HG      PRO  24   8.538   2.000 -17.592
  163    HD2  PRO  24           2HD      PRO  24   6.408   3.475 -18.378
  164    HD3  PRO  24           3HD      PRO  24   6.236   1.883 -17.611
  165    H    ILE  25           H        ILE  25   5.440   5.633 -14.752
  166    HA   ILE  25           HA       ILE  25   7.311   7.460 -13.677
  167    HB   ILE  25           HB       ILE  25   6.793   9.078 -15.779
  168   HG12  ILE  25          2HG1      ILE  25   7.471   6.455 -17.092
  169   HG13  ILE  25          3HG1      ILE  25   5.803   6.993 -16.928
  170   HG21  ILE  25          1HG2      ILE  25   9.029   7.704 -14.679
  171   HG22  ILE  25          2HG2      ILE  25   9.186   7.719 -16.434
  172   HG23  ILE  25          3HG2      ILE  25   8.994   9.235 -15.554
  173   HD11  ILE  25          3HD1      ILE  25   6.653   9.155 -18.064
  174   HD12  ILE  25          1HD1      ILE  25   8.007   8.146 -18.571
  175   HD13  ILE  25          2HD1      ILE  25   6.362   7.715 -19.039
  176    H    ILE  26           H        ILE  26   5.592   7.589 -12.176
  177    HA   ILE  26           HA       ILE  26   3.661   8.390 -11.264
  178    HB   ILE  26           HB       ILE  26   4.096  10.551 -13.329
  179   HG12  ILE  26          2HG1      ILE  26   4.945  11.685 -11.096
  180   HG13  ILE  26          3HG1      ILE  26   5.213  10.015 -10.608
  181   HG21  ILE  26          1HG2      ILE  26   1.989  11.066 -12.656
  182   HG22  ILE  26          2HG2      ILE  26   2.159  10.234 -11.111
  183   HG23  ILE  26          3HG2      ILE  26   2.878  11.828 -11.337
  184   HD11  ILE  26          3HD1      ILE  26   6.284  11.055 -13.200
  185   HD12  ILE  26          1HD1      ILE  26   7.145  11.307 -11.682
  186   HD13  ILE  26          2HD1      ILE  26   6.818   9.669 -12.248
  187    H    GLY  27           H        GLY  27   2.382   6.618 -12.032
  188    HA2  GLY  27           2HA      GLY  27   0.307   7.514 -13.894
  189    HA3  GLY  27           3HA      GLY  27   1.141   6.012 -14.264
  190    H    PHE  28           H        PHE  28  -0.487   4.572 -13.996
  191    HA   PHE  28           HA       PHE  28  -1.578   4.340 -11.275
  192    HB2  PHE  28           HB2      PHE  28  -3.121   3.923 -13.844
  193    HB3  PHE  28           HB3      PHE  28  -3.741   3.637 -12.221
  194    HD1  PHE  28           HD2      PHE  28  -3.785   5.643 -10.620
  195    HD2  PHE  28           HD1      PHE  28  -3.355   6.001 -14.839
  196    HE1  PHE  28           HE2      PHE  28  -4.534   7.983 -10.494
  197    HE2  PHE  28           HE1      PHE  28  -4.102   8.343 -14.720
  198    HZ   PHE  28           HZ       PHE  28  -4.693   9.336 -12.545
  199    H    CYS  29           H        CYS  29  -1.633   2.319 -10.431
  200    HA   CYS  29           HA       CYS  29  -0.143   0.272 -11.786
  201    HB2  CYS  29           HB2      CYS  29  -0.307   0.856  -9.217
  202    HB3  CYS  29           HB3      CYS  29  -1.667  -0.260  -9.268
  203    H    LEU  30           H        LEU  30  -0.896  -1.369 -12.959
  204    HA   LEU  30           HA       LEU  30  -3.660  -2.253 -12.625
  205    HB2  LEU  30           HB2      LEU  30  -2.459  -1.323 -15.225
  206    HB3  LEU  30           HB3      LEU  30  -3.935  -2.281 -15.117
  207    HG   LEU  30           HG       LEU  30  -3.986   0.162 -13.503
  208   HD11  LEU  30          1HD1      LEU  30  -4.332   1.637 -15.454
  209   HD12  LEU  30          2HD1      LEU  30  -3.768   0.338 -16.504
  210   HD13  LEU  30          3HD1      LEU  30  -2.674   1.050 -15.319
  211   HD21  LEU  30          3HD2      LEU  30  -6.123   0.291 -15.081
  212   HD22  LEU  30          1HD2      LEU  30  -6.056  -0.760 -13.666
  213   HD23  LEU  30          2HD2      LEU  30  -5.758  -1.424 -15.273
  Start of MODEL   19
    1    H1   CYS   1           H        CYS   1   0.469  -0.289   0.032
    2    HA   CYS   1           HA       CYS   1   2.910   0.708  -1.229
    3    HB2  CYS   1           HB2      CYS   1   3.017  -1.512  -2.518
    4    HB3  CYS   1           HB3      CYS   1   3.604  -1.508  -0.858
    5    H    ILE   2           H        ILE   2   0.940   2.173  -1.725
    6    HA   ILE   2           HA       ILE   2  -0.408   3.055  -3.333
    7    HB   ILE   2           HB       ILE   2   0.586   0.809  -5.090
    8   HG12  ILE   2          2HG1      ILE   2   2.461   2.091  -4.189
    9   HG13  ILE   2          3HG1      ILE   2   2.247   2.443  -5.900
   10   HG21  ILE   2          1HG2      ILE   2   0.093   2.548  -6.884
   11   HG22  ILE   2          2HG2      ILE   2  -1.291   1.760  -6.127
   12   HG23  ILE   2          3HG2      ILE   2  -0.835   3.394  -5.646
   13   HD11  ILE   2          3HD1      ILE   2   2.648   4.516  -4.948
   14   HD12  ILE   2          1HD1      ILE   2   0.892   4.468  -5.101
   15   HD13  ILE   2          2HD1      ILE   2   1.649   4.171  -3.536
   16    H    ALA   3           H        ALA   3  -2.519   2.894  -3.010
   17    HA   ALA   3           HA       ALA   3  -3.895   0.535  -2.396
   18    HB1  ALA   3           1HB      ALA   3  -5.523   1.956  -1.884
   19    HB2  ALA   3           HB2      ALA   3  -4.485   3.260  -2.462
   20    HB3  ALA   3           HB3      ALA   3  -5.647   2.508  -3.555
   21    H    HIS   4           H        HIS   4  -5.667  -0.459  -3.619
   22    HA   HIS   4           HA       HIS   4  -4.878  -1.525  -6.033
   23    HB2  HIS   4           HB2      HIS   4  -7.357  -1.451  -4.475
   24    HB3  HIS   4           HB3      HIS   4  -7.626  -1.638  -6.205
   25    HD1  HIS   4           HD1      HIS   4  -5.624  -3.283  -3.427
   26    HD2  HIS   4           HD2      HIS   4  -7.352  -4.187  -7.096
   27    HE1  HIS   4           HE1      HIS   4  -5.334  -5.765  -3.714
   28    H    TYR   5           H        TYR   5  -4.631  -0.683  -7.985
   29    HA   TYR   5           HA       TYR   5  -4.840   0.653  -9.813
   30    HB2  TYR   5           HB2      TYR   5  -7.608   1.393  -8.903
   31    HB3  TYR   5           HB3      TYR   5  -7.002   1.207 -10.545
   32    HD1  TYR   5           HD1      TYR   5  -5.655  -1.438 -10.315
   33    HD2  TYR   5           HD2      TYR   5  -9.411  -0.098  -8.832
   34    HE1  TYR   5           HE1      TYR   5  -6.493  -3.750 -10.366
   35    HE2  TYR   5           HE2      TYR   5 -10.260  -2.406  -8.878
   36    HH   TYR   5           HH       TYR   5  -8.220  -5.105  -9.328
   37    H    GLY   6           H        GLY   6  -3.743   1.768  -7.418
   38    HA2  GLY   6           2HA      GLY   6  -4.735   4.525  -7.389
   39    HA3  GLY   6           3HA      GLY   6  -3.599   3.823  -6.247
   40    H    LYS   7           H        LYS   7  -3.073   6.276  -7.297
   41    HA   LYS   7           HA       LYS   7  -1.475   6.188  -9.648
   42    HB2  LYS   7           HB2      LYS   7  -2.477   8.175  -7.908
   43    HB3  LYS   7           HB3      LYS   7  -0.727   8.358  -7.917
   44    HG2  LYS   7           2HG      LYS   7  -1.837   7.976 -10.579
   45    HG3  LYS   7           3HG      LYS   7  -2.472   9.404  -9.758
   46    HD2  LYS   7           2HD      LYS   7   0.460   8.753 -10.046
   47    HD3  LYS   7           3HD      LYS   7  -0.431   9.854 -11.100
   48    HE2  LYS   7           2HE      LYS   7  -1.087  10.984  -8.821
   49    HE3  LYS   7           3HE      LYS   7   0.373  10.180  -8.247
   50    HZ1  LYS   7           3HZ      LYS   7   1.648  11.305  -9.930
   51    HZ2  LYS   7           1HZ      LYS   7   0.784  12.451  -9.034
   52    HZ3  LYS   7           2HZ      LYS   7   0.256  12.014 -10.580
   53    H    CYS   8           H        CYS   8   0.801   6.400  -9.827
   54    HA   CYS   8           HA       CYS   8   2.278   5.377  -7.490
   55    HB2  CYS   8           HB2      CYS   8   2.050   4.300 -10.115
   56    HB3  CYS   8           HB3      CYS   8   3.707   4.857  -9.906
   57    H    ASP   9           H        ASP   9   4.382   6.163  -7.135
   58    HA   ASP   9           HA       ASP   9   4.743   8.909  -7.825
   59    HB2  ASP   9           HB2      ASP   9   5.503   7.527  -5.698
   60    HB3  ASP   9           HB3      ASP   9   6.965   7.295  -6.653
   61    H    GLY  10           H        GLY  10   6.120   5.868  -8.920
   62    HA2  GLY  10           2HA      GLY  10   6.798   5.888 -11.309
   63    HA3  GLY  10           3HA      GLY  10   7.647   7.384 -10.948
   64    H    ILE  11           H        ILE  11   9.322   7.175  -9.154
   65    HA   ILE  11           HA       ILE  11  11.279   5.339  -9.939
   66    HB   ILE  11           HB       ILE  11  11.300   7.560  -8.383
   67   HG12  ILE  11          2HG1      ILE  11  13.205   6.725  -9.629
   68   HG13  ILE  11          3HG1      ILE  11  13.693   7.023  -7.964
   69   HG21  ILE  11          1HG2      ILE  11  11.923   7.025  -6.139
   70   HG22  ILE  11          2HG2      ILE  11  10.390   6.225  -6.481
   71   HG23  ILE  11          3HG2      ILE  11  11.888   5.296  -6.485
   72   HD11  ILE  11          3HD1      ILE  11  13.429   4.605  -7.511
   73   HD12  ILE  11          1HD1      ILE  11  13.090   4.360  -9.224
   74   HD13  ILE  11          2HD1      ILE  11  14.665   4.971  -8.714
   75    H    ILE  12           H        ILE  12   8.699   5.075  -7.635
   76    HA   ILE  12           HA       ILE  12   9.814   2.631  -6.487
   77    HB   ILE  12           HB       ILE  12   7.356   4.236  -5.797
   78   HG12  ILE  12          2HG1      ILE  12   9.859   3.634  -4.206
   79   HG13  ILE  12          3HG1      ILE  12   9.572   5.130  -5.090
   80   HG21  ILE  12          1HG2      ILE  12   7.710   2.433  -3.757
   81   HG22  ILE  12          2HG2      ILE  12   6.492   2.327  -5.026
   82   HG23  ILE  12          3HG2      ILE  12   8.020   1.464  -5.197
   83   HD11  ILE  12          3HD1      ILE  12   8.279   4.125  -2.599
   84   HD12  ILE  12          1HD1      ILE  12   8.996   5.700  -2.938
   85   HD13  ILE  12          2HD1      ILE  12   7.433   5.273  -3.636
   86    H    ASN  13           H        ASN  13   9.640   1.147  -8.152
   87    HA   ASN  13           HA       ASN  13   7.068   0.721  -9.433
   88    HB2  ASN  13           HB2      ASN  13   9.752  -0.632  -9.772
   89    HB3  ASN  13           HB3      ASN  13   8.310  -1.068 -10.684
   90   HD21  ASN  13          1HD2      ASN  13  10.296   1.747  -9.862
   91   HD22  ASN  13          2HD2      ASN  13  10.158   2.510 -11.406
   92    H    GLN  14           H        GLN  14   8.044   0.017  -6.502
   93    HA   GLN  14           HA       GLN  14   7.504  -2.811  -6.376
   94    HB2  GLN  14           HB2      GLN  14   7.960  -0.707  -4.264
   95    HB3  GLN  14           HB3      GLN  14   7.596  -2.383  -3.876
   96    HG2  GLN  14           2HG      GLN  14   9.855  -2.479  -3.794
   97    HG3  GLN  14           3HG      GLN  14   9.626  -2.825  -5.508
   98   HE21  GLN  14          1HE2      GLN  14  10.405  -1.438  -6.999
   99   HE22  GLN  14          2HE2      GLN  14  11.271   0.009  -6.624
  100    H    CYS  15           H        CYS  15   5.373  -2.431  -7.511
  101    HA   CYS  15           HA       CYS  15   3.262  -1.537  -5.686
  102    HB2  CYS  15           HB2      CYS  15   3.381  -0.688  -8.068
  103    HB3  CYS  15           HB3      CYS  15   2.969  -2.319  -8.588
  104    H    CYS  16           H        CYS  16   2.724  -3.141  -4.326
  105    HA   CYS  16           HA       CYS  16   2.934  -5.859  -4.689
  106    HB2  CYS  16           HB2      CYS  16   0.888  -5.903  -3.043
  107    HB3  CYS  16           HB3      CYS  16   2.443  -5.275  -2.507
  108    H    ASP  17           H        ASP  17  -0.104  -4.016  -5.023
  109    HA   ASP  17           HA       ASP  17  -0.890  -5.840  -7.185
  110    HB2  ASP  17           HB2      ASP  17  -3.294  -5.460  -6.046
  111    HB3  ASP  17           HB3      ASP  17  -2.252  -6.822  -5.645
  112    HA   PRO  18           HA       PRO  18  -3.267  -6.019  -7.945
  113    HB2  PRO  18           HB2      PRO  18  -3.765  -5.855 -10.609
  114    HB3  PRO  18           HB3      PRO  18  -4.865  -5.209  -9.385
  115    HG2  PRO  18           2HG      PRO  18  -2.829  -3.777 -11.047
  116    HG3  PRO  18           3HG      PRO  18  -4.485  -3.290 -10.642
  117    HD2  PRO  18           2HD      PRO  18  -2.318  -2.291  -9.361
  118    HD3  PRO  18           3HD      PRO  18  -3.882  -2.523  -8.554
  119    H    TRP  19           H        TRP  19  -1.178  -4.553 -10.443
  120    HA   TRP  19           HA       TRP  19   0.488  -6.977 -10.340
  121    HB2  TRP  19           HB2      TRP  19  -0.403  -5.458 -12.797
  122    HB3  TRP  19           HB3      TRP  19   0.883  -6.661 -12.805
  123    HD1  TRP  19           HD1      TRP  19  -2.884  -6.319 -12.781
  124    HE1  TRP  19           HE1      TRP  19  -3.950  -8.649 -13.016
  125    HE3  TRP  19           HE3      TRP  19   1.302  -9.190 -12.177
  126    HZ2  TRP  19           HZ2      TRP  19  -3.126 -11.348 -12.952
  127    HZ3  TRP  19           HZ3      TRP  19   1.077 -11.638 -12.277
  128    HH2  TRP  19           HH2      TRP  19  -1.092 -12.693 -12.656
  129    H    LEU  20           H        LEU  20   1.038  -4.305 -12.511
  130    HA   LEU  20           HA       LEU  20   3.197  -3.321 -10.776
  131    HB2  LEU  20           HB2      LEU  20   4.424  -2.944 -13.043
  132    HB3  LEU  20           HB3      LEU  20   4.478  -4.517 -12.250
  133    HG   LEU  20           HG       LEU  20   2.728  -5.328 -13.777
  134   HD11  LEU  20          1HD1      LEU  20   2.925  -2.534 -14.854
  135   HD12  LEU  20          2HD1      LEU  20   1.490  -3.425 -14.348
  136   HD13  LEU  20          3HD1      LEU  20   2.328  -3.874 -15.833
  137   HD21  LEU  20          3HD2      LEU  20   4.119  -5.352 -15.822
  138   HD22  LEU  20          1HD2      LEU  20   5.035  -5.721 -14.360
  139   HD23  LEU  20          2HD2      LEU  20   5.158  -4.123 -15.097
  140    H    CYS  21           H        CYS  21   3.950  -1.144 -11.349
  141    HA   CYS  21           HA       CYS  21   1.691   0.531 -12.098
  142    HB2  CYS  21           HB2      CYS  21   4.285   0.969 -10.681
  143    HB3  CYS  21           HB3      CYS  21   3.504   2.347 -11.451
  144    H    THR  22           H        THR  22   1.464   1.424 -14.034
  145    HA   THR  22           HA       THR  22   3.826   2.007 -15.656
  146    HB   THR  22           HB       THR  22   1.681   0.067 -16.374
  147    HG1  THR  22           HG1      THR  22   3.976  -0.418 -15.890
  148   HG21  THR  22          3HG2      THR  22   2.967   1.987 -18.308
  149   HG22  THR  22          1HG2      THR  22   1.247   1.695 -18.053
  150   HG23  THR  22          2HG2      THR  22   2.250   0.454 -18.805
  151    HA   PRO  23           HA       PRO  23   4.376   2.958 -17.472
  152    HB2  PRO  23           HB2      PRO  23   5.415   5.463 -17.606
  153    HB3  PRO  23           HB3      PRO  23   4.389   4.780 -18.872
  154    HG2  PRO  23           2HG      PRO  23   3.666   6.655 -16.653
  155    HG3  PRO  23           3HG      PRO  23   3.177   6.697 -18.357
  156    HD2  PRO  23           2HD      PRO  23   1.565   5.742 -16.402
  157    HD3  PRO  23           3HD      PRO  23   1.541   5.101 -18.058
  158    HA   PRO  24           HA       PRO  24   6.830   3.069 -13.826
  159    HB2  PRO  24           HB2      PRO  24   9.328   3.580 -14.757
  160    HB3  PRO  24           HB3      PRO  24   8.508   2.034 -15.006
  161    HG2  PRO  24           2HG      PRO  24   8.796   4.350 -16.881
  162    HG3  PRO  24           3HG      PRO  24   8.957   2.615 -17.212
  163    HD2  PRO  24           2HD      PRO  24   6.716   4.011 -17.813
  164    HD3  PRO  24           3HD      PRO  24   6.677   2.300 -17.341
  165    H    ILE  25           H        ILE  25   6.366   5.869 -15.632
  166    HA   ILE  25           HA       ILE  25   7.960   7.568 -13.873
  167    HB   ILE  25           HB       ILE  25   6.185   8.496 -16.122
  168   HG12  ILE  25          2HG1      ILE  25   9.092   7.666 -16.259
  169   HG13  ILE  25          3HG1      ILE  25   7.742   6.818 -17.005
  170   HG21  ILE  25          1HG2      ILE  25   6.923  10.522 -15.600
  171   HG22  ILE  25          2HG2      ILE  25   7.730   9.829 -14.194
  172   HG23  ILE  25          3HG2      ILE  25   8.599   9.985 -15.720
  173   HD11  ILE  25          3HD1      ILE  25   8.037   8.030 -18.824
  174   HD12  ILE  25          1HD1      ILE  25   7.621   9.477 -17.906
  175   HD13  ILE  25          2HD1      ILE  25   9.304   8.965 -18.030
  176    H    ILE  26           H        ILE  26   4.647   7.856 -15.157
  177    HA   ILE  26           HA       ILE  26   3.571   8.135 -12.482
  178    HB   ILE  26           HB       ILE  26   3.657  10.432 -14.419
  179   HG12  ILE  26          2HG1      ILE  26   3.984  11.451 -11.926
  180   HG13  ILE  26          3HG1      ILE  26   4.648   9.837 -11.697
  181   HG21  ILE  26          1HG2      ILE  26   1.539   9.722 -12.475
  182   HG22  ILE  26          2HG2      ILE  26   2.040  11.411 -12.545
  183   HG23  ILE  26          3HG2      ILE  26   1.433  10.610 -13.994
  184   HD11  ILE  26          3HD1      ILE  26   5.652  10.985 -14.125
  185   HD12  ILE  26          1HD1      ILE  26   5.926  12.074 -12.766
  186   HD13  ILE  26          2HD1      ILE  26   6.527  10.417 -12.703
  187    H    GLY  27           H        GLY  27   1.835   6.875 -12.518
  188    HA2  GLY  27           2HA      GLY  27  -0.296   7.311 -14.369
  189    HA3  GLY  27           3HA      GLY  27   0.571   5.826 -14.731
  190    H    PHE  28           H        PHE  28  -1.010   4.383 -14.201
  191    HA   PHE  28           HA       PHE  28  -1.714   4.261 -11.348
  192    HB2  PHE  28           HB2      PHE  28  -3.579   3.693 -13.662
  193    HB3  PHE  28           HB3      PHE  28  -3.966   3.469 -11.959
  194    HD1  PHE  28           HD2      PHE  28  -3.869   5.536 -10.452
  195    HD2  PHE  28           HD1      PHE  28  -3.978   5.726 -14.703
  196    HE1  PHE  28           HE2      PHE  28  -4.655   7.864 -10.324
  197    HE2  PHE  28           HE1      PHE  28  -4.763   8.055 -14.582
  198    HZ   PHE  28           HZ       PHE  28  -5.104   9.126 -12.391
  199    H    CYS  29           H        CYS  29  -1.738   2.247 -10.427
  200    HA   CYS  29           HA       CYS  29  -0.270   0.199 -11.778
  201    HB2  CYS  29           HB2      CYS  29  -0.377   0.817  -9.225
  202    HB3  CYS  29           HB3      CYS  29  -1.740  -0.297  -9.218
  203    H    LEU  30           H        LEU  30  -1.003  -1.492 -12.896
  204    HA   LEU  30           HA       LEU  30  -3.730  -2.444 -12.489
  205    HB2  LEU  30           HB2      LEU  30  -2.646  -1.411 -15.096
  206    HB3  LEU  30           HB3      LEU  30  -4.020  -2.511 -15.011
  207    HG   LEU  30           HG       LEU  30  -4.804  -0.523 -13.317
  208   HD11  LEU  30          1HD1      LEU  30  -4.317   1.445 -15.123
  209   HD12  LEU  30          2HD1      LEU  30  -2.786   0.571 -15.140
  210   HD13  LEU  30          3HD1      LEU  30  -3.418   1.212 -13.623
  211   HD21  LEU  30          3HD2      LEU  30  -6.008   0.319 -15.485
  212   HD22  LEU  30          1HD2      LEU  30  -6.375  -1.271 -14.815
  213   HD23  LEU  30          2HD2      LEU  30  -5.289  -1.126 -16.197
  Start of MODEL   20
    1    H1   CYS   1           H        CYS   1   0.789  -0.748   0.098
    2    HA   CYS   1           HA       CYS   1   3.173   0.373  -1.200
    3    HB2  CYS   1           HB2      CYS   1   3.288  -1.792  -2.543
    4    HB3  CYS   1           HB3      CYS   1   3.828  -1.877  -0.869
    5    H    ILE   2           H        ILE   2   1.246   1.881  -1.648
    6    HA   ILE   2           HA       ILE   2  -0.127   2.815  -3.204
    7    HB   ILE   2           HB       ILE   2   0.840   0.593  -5.007
    8   HG12  ILE   2          2HG1      ILE   2   2.684   1.959  -4.113
    9   HG13  ILE   2          3HG1      ILE   2   2.461   2.229  -5.838
   10   HG21  ILE   2          1HG2      ILE   2   0.239   2.254  -6.804
   11   HG22  ILE   2          2HG2      ILE   2  -1.122   1.530  -5.947
   12   HG23  ILE   2          3HG2      ILE   2  -0.608   3.172  -5.558
   13   HD11  ILE   2          3HD1      ILE   2   1.144   4.274  -5.248
   14   HD12  ILE   2          1HD1      ILE   2   1.657   4.034  -3.578
   15   HD13  ILE   2          2HD1      ILE   2   2.858   4.333  -4.835
   16    H    ALA   3           H        ALA   3  -2.223   2.667  -2.779
   17    HA   ALA   3           HA       ALA   3  -3.620   0.307  -2.229
   18    HB1  ALA   3           1HB      ALA   3  -4.432   2.423  -1.433
   19    HB2  ALA   3           HB2      ALA   3  -4.649   3.008  -3.083
   20    HB3  ALA   3           HB3      ALA   3  -5.661   1.699  -2.471
   21    H    HIS   4           H        HIS   4  -5.456  -0.595  -3.435
   22    HA   HIS   4           HA       HIS   4  -4.769  -1.573  -5.915
   23    HB2  HIS   4           HB2      HIS   4  -7.210  -1.491  -4.289
   24    HB3  HIS   4           HB3      HIS   4  -7.514  -1.629  -6.019
   25    HD1  HIS   4           HD1      HIS   4  -5.372  -3.363  -3.392
   26    HD2  HIS   4           HD2      HIS   4  -7.433  -4.181  -6.905
   27    HE1  HIS   4           HE1      HIS   4  -5.170  -5.847  -3.727
   28    H    TYR   5           H        TYR   5  -4.553  -0.648  -7.833
   29    HA   TYR   5           HA       TYR   5  -4.779   0.772  -9.594
   30    HB2  TYR   5           HB2      TYR   5  -7.508   1.524  -8.583
   31    HB3  TYR   5           HB3      TYR   5  -6.947   1.396 -10.246
   32    HD1  TYR   5           HD1      TYR   5  -5.651  -1.280 -10.166
   33    HD2  TYR   5           HD2      TYR   5  -9.337   0.066  -8.522
   34    HE1  TYR   5           HE1      TYR   5  -6.537  -3.571 -10.292
   35    HE2  TYR   5           HE2      TYR   5 -10.233  -2.222  -8.642
   36    HH   TYR   5           HH       TYR   5  -9.244  -4.587  -8.675
   37    H    GLY   6           H        GLY   6  -3.605   1.759  -7.177
   38    HA2  GLY   6           2HA      GLY   6  -4.551   4.517  -6.959
   39    HA3  GLY   6           3HA      GLY   6  -3.345   3.749  -5.938
   40    H    LYS   7           H        LYS   7  -2.974   6.288  -6.986
   41    HA   LYS   7           HA       LYS   7  -1.464   6.258  -9.397
   42    HB2  LYS   7           HB2      LYS   7  -2.491   8.209  -7.649
   43    HB3  LYS   7           HB3      LYS   7  -0.749   8.450  -7.662
   44    HG2  LYS   7           2HG      LYS   7  -1.895   8.045 -10.316
   45    HG3  LYS   7           3HG      LYS   7  -2.509   9.473  -9.480
   46    HD2  LYS   7           2HD      LYS   7   0.417   8.822  -9.820
   47    HD3  LYS   7           3HD      LYS   7  -0.492   9.909 -10.873
   48    HE2  LYS   7           2HE      LYS   7  -1.114  11.081  -8.617
   49    HE3  LYS   7           3HE      LYS   7   0.331  10.263  -8.024
   50    HZ1  LYS   7           3HZ      LYS   7   0.285  12.655  -9.297
   51    HZ2  LYS   7           1HZ      LYS   7   0.734  11.594 -10.536
   52    HZ3  LYS   7           2HZ      LYS   7   1.648  11.670  -9.115
   53    H    CYS   8           H        CYS   8   0.789   6.518  -9.670
   54    HA   CYS   8           HA       CYS   8   2.395   5.596  -7.376
   55    HB2  CYS   8           HB2      CYS   8   2.090   4.452  -9.977
   56    HB3  CYS   8           HB3      CYS   8   3.747   5.026  -9.813
   57    H    ASP   9           H        ASP   9   4.491   6.446  -7.143
   58    HA   ASP   9           HA       ASP   9   4.746   9.172  -7.996
   59    HB2  ASP   9           HB2      ASP   9   5.503   8.100  -5.757
   60    HB3  ASP   9           HB3      ASP   9   6.936   7.610  -6.657
   61    H    GLY  10           H        GLY  10   6.007   6.100  -9.023
   62    HA2  GLY  10           2HA      GLY  10   6.705   6.113 -11.418
   63    HA3  GLY  10           3HA      GLY  10   7.696   7.504 -11.002
   64    H    ILE  11           H        ILE  11   9.386   7.126  -9.326
   65    HA   ILE  11           HA       ILE  11  11.040   4.979 -10.081
   66    HB   ILE  11           HB       ILE  11  11.430   7.310  -8.698
   67   HG12  ILE  11          2HG1      ILE  11  13.086   6.191 -10.090
   68   HG13  ILE  11          3HG1      ILE  11  13.783   6.561  -8.516
   69   HG21  ILE  11          1HG2      ILE  11  12.011   5.095  -6.744
   70   HG22  ILE  11          2HG2      ILE  11  12.207   6.830  -6.501
   71   HG23  ILE  11          3HG2      ILE  11  10.592   6.137  -6.645
   72   HD11  ILE  11          3HD1      ILE  11  14.436   4.352  -9.288
   73   HD12  ILE  11          1HD1      ILE  11  13.459   4.251  -7.823
   74   HD13  ILE  11          2HD1      ILE  11  12.740   3.878  -9.390
   75    H    ILE  12           H        ILE  12   8.409   5.090  -7.959
   76    HA   ILE  12           HA       ILE  12   9.325   2.908  -6.273
   77    HB   ILE  12           HB       ILE  12   8.005   4.603  -5.186
   78   HG12  ILE  12          2HG1      ILE  12   6.066   2.331  -5.432
   79   HG13  ILE  12          3HG1      ILE  12   7.666   2.035  -4.762
   80   HG21  ILE  12          1HG2      ILE  12   5.417   4.185  -6.287
   81   HG22  ILE  12          2HG2      ILE  12   6.366   5.669  -6.231
   82   HG23  ILE  12          3HG2      ILE  12   6.528   4.570  -7.601
   83   HD11  ILE  12          3HD1      ILE  12   5.419   2.924  -3.406
   84   HD12  ILE  12          1HD1      ILE  12   7.076   2.883  -2.805
   85   HD13  ILE  12          2HD1      ILE  12   6.446   4.349  -3.556
   86    H    ASN  13           H        ASN  13   9.574   1.266  -7.849
   87    HA   ASN  13           HA       ASN  13   7.258   0.411  -9.366
   88    HB2  ASN  13           HB2      ASN  13  10.064  -0.690  -9.142
   89    HB3  ASN  13           HB3      ASN  13   8.814  -1.401 -10.159
   90   HD21  ASN  13          1HD2      ASN  13  10.432   1.683  -9.522
   91   HD22  ASN  13          2HD2      ASN  13  10.443   2.213 -11.167
   92    H    GLN  14           H        GLN  14   7.907   0.164  -6.252
   93    HA   GLN  14           HA       GLN  14   7.491  -2.666  -5.848
   94    HB2  GLN  14           HB2      GLN  14   7.643  -0.330  -3.943
   95    HB3  GLN  14           HB3      GLN  14   7.360  -1.985  -3.420
   96    HG2  GLN  14           2HG      GLN  14   9.611  -1.857  -3.137
   97    HG3  GLN  14           3HG      GLN  14   9.546  -2.450  -4.796
   98   HE21  GLN  14          1HE2      GLN  14  10.218  -1.153  -6.451
   99   HE22  GLN  14          2HE2      GLN  14  11.000   0.368  -6.210
  100    H    CYS  15           H        CYS  15   5.460  -2.502  -7.206
  101    HA   CYS  15           HA       CYS  15   3.164  -1.622  -5.593
  102    HB2  CYS  15           HB2      CYS  15   3.501  -0.734  -7.964
  103    HB3  CYS  15           HB3      CYS  15   3.101  -2.357  -8.517
  104    H    CYS  16           H        CYS  16   2.567  -3.282  -4.326
  105    HA   CYS  16           HA       CYS  16   2.883  -5.996  -4.842
  106    HB2  CYS  16           HB2      CYS  16   0.683  -4.741  -3.188
  107    HB3  CYS  16           HB3      CYS  16   1.306  -6.381  -3.040
  108    H    ASP  17           H        ASP  17  -0.213  -4.225  -4.974
  109    HA   ASP  17           HA       ASP  17  -0.990  -5.921  -7.248
  110    HB2  ASP  17           HB2      ASP  17  -3.388  -5.584  -6.095
  111    HB3  ASP  17           HB3      ASP  17  -2.344  -6.955  -5.731
  112    HA   PRO  18           HA       PRO  18  -3.363  -6.060  -8.016
  113    HB2  PRO  18           HB2      PRO  18  -3.858  -5.788 -10.671
  114    HB3  PRO  18           HB3      PRO  18  -4.957  -5.189  -9.423
  115    HG2  PRO  18           2HG      PRO  18  -2.916  -3.696 -11.025
  116    HG3  PRO  18           3HG      PRO  18  -4.571  -3.221 -10.601
  117    HD2  PRO  18           2HD      PRO  18  -2.403  -2.281  -9.280
  118    HD3  PRO  18           3HD      PRO  18  -3.968  -2.540  -8.483
  119    H    TRP  19           H        TRP  19  -1.262  -4.497 -10.443
  120    HA   TRP  19           HA       TRP  19   0.391  -6.933 -10.446
  121    HB2  TRP  19           HB2      TRP  19  -0.482  -5.295 -12.832
  122    HB3  TRP  19           HB3      TRP  19   0.799  -6.503 -12.892
  123    HD1  TRP  19           HD1      TRP  19  -2.966  -6.143 -12.867
  124    HE1  TRP  19           HE1      TRP  19  -4.043  -8.455 -13.216
  125    HE3  TRP  19           HE3      TRP  19   1.203  -9.060 -12.382
  126    HZ2  TRP  19           HZ2      TRP  19  -3.231 -11.158 -13.276
  127    HZ3  TRP  19           HZ3      TRP  19   0.967 -11.500 -12.598
  128    HH2  TRP  19           HH2      TRP  19  -1.205 -12.525 -13.035
  129    H    LEU  20           H        LEU  20   0.982  -4.184 -12.500
  130    HA   LEU  20           HA       LEU  20   3.119  -3.270 -10.700
  131    HB2  LEU  20           HB2      LEU  20   4.393  -2.842 -12.931
  132    HB3  LEU  20           HB3      LEU  20   4.421  -4.435 -12.179
  133    HG   LEU  20           HG       LEU  20   2.685  -5.185 -13.762
  134   HD11  LEU  20          1HD1      LEU  20   2.937  -2.362 -14.733
  135   HD12  LEU  20          2HD1      LEU  20   1.482  -3.281 -14.350
  136   HD13  LEU  20          3HD1      LEU  20   2.404  -3.656 -15.805
  137   HD21  LEU  20          3HD2      LEU  20   4.249  -5.778 -15.256
  138   HD22  LEU  20          1HD2      LEU  20   5.359  -4.913 -14.192
  139   HD23  LEU  20          2HD2      LEU  20   4.689  -4.106 -15.610
  140    H    CYS  21           H        CYS  21   3.899  -1.084 -11.198
  141    HA   CYS  21           HA       CYS  21   1.668   0.637 -11.898
  142    HB2  CYS  21           HB2      CYS  21   4.267   0.972 -10.489
  143    HB3  CYS  21           HB3      CYS  21   3.595   2.389 -11.289
  144    H    THR  22           H        THR  22   1.409   1.575 -13.810
  145    HA   THR  22           HA       THR  22   3.737   2.145 -15.483
  146    HB   THR  22           HB       THR  22   1.568   0.227 -16.162
  147    HG1  THR  22           HG1      THR  22   3.890  -0.247 -15.798
  148   HG21  THR  22          3HG2      THR  22   2.752   2.190 -18.118
  149   HG22  THR  22          1HG2      THR  22   1.047   1.895 -17.781
  150   HG23  THR  22          2HG2      THR  22   2.009   0.668 -18.607
  151    HA   PRO  23           HA       PRO  23   4.230   3.091 -17.336
  152    HB2  PRO  23           HB2      PRO  23   5.311   5.576 -17.500
  153    HB3  PRO  23           HB3      PRO  23   4.219   4.921 -18.726
  154    HG2  PRO  23           2HG      PRO  23   3.625   6.796 -16.469
  155    HG3  PRO  23           3HG      PRO  23   3.067   6.857 -18.151
  156    HD2  PRO  23           2HD      PRO  23   1.520   5.922 -16.136
  157    HD3  PRO  23           3HD      PRO  23   1.415   5.291 -17.792
  158    HA   PRO  24           HA       PRO  24   6.836   3.135 -13.795
  159    HB2  PRO  24           HB2      PRO  24   9.303   3.609 -14.826
  160    HB3  PRO  24           HB3      PRO  24   8.445   2.079 -15.050
  161    HG2  PRO  24           2HG      PRO  24   8.696   4.402 -16.922
  162    HG3  PRO  24           3HG      PRO  24   8.812   2.667 -17.270
  163    HD2  PRO  24           2HD      PRO  24   6.573   4.106 -17.768
  164    HD3  PRO  24           3HD      PRO  24   6.524   2.393 -17.305
  165    H    ILE  25           H        ILE  25   6.377   5.956 -15.584
  166    HA   ILE  25           HA       ILE  25   8.040   7.607 -13.838
  167    HB   ILE  25           HB       ILE  25   6.300   8.559 -16.108
  168   HG12  ILE  25          2HG1      ILE  25   9.213   7.741 -16.187
  169   HG13  ILE  25          3HG1      ILE  25   7.882   6.868 -16.939
  170   HG21  ILE  25          1HG2      ILE  25   7.891   9.869 -14.159
  171   HG22  ILE  25          2HG2      ILE  25   8.665  10.080 -15.729
  172   HG23  ILE  25          3HG2      ILE  25   6.989  10.577 -15.499
  173   HD11  ILE  25          3HD1      ILE  25   9.005   9.547 -17.684
  174   HD12  ILE  25          1HD1      ILE  25   8.924   8.078 -18.657
  175   HD13  ILE  25          2HD1      ILE  25   7.448   8.967 -18.278
  176    H    ILE  26           H        ILE  26   4.659   7.584 -14.983
  177    HA   ILE  26           HA       ILE  26   3.632   8.026 -12.356
  178    HB   ILE  26           HB       ILE  26   2.463  10.237 -13.374
  179   HG12  ILE  26          2HG1      ILE  26   4.247  11.640 -14.371
  180   HG13  ILE  26          3HG1      ILE  26   5.309  10.237 -14.404
  181   HG21  ILE  26          1HG2      ILE  26   3.230  10.893 -11.399
  182   HG22  ILE  26          2HG2      ILE  26   4.442   9.612 -11.407
  183   HG23  ILE  26          3HG2      ILE  26   4.807  11.176 -12.136
  184   HD11  ILE  26          3HD1      ILE  26   4.223  10.795 -16.575
  185   HD12  ILE  26          1HD1      ILE  26   3.941   9.148 -16.012
  186   HD13  ILE  26          2HD1      ILE  26   2.676  10.366 -15.846
  187    H    GLY  27           H        GLY  27   1.617   7.240 -12.249
  188    HA2  GLY  27           2HA      GLY  27  -0.429   7.577 -14.096
  189    HA3  GLY  27           3HA      GLY  27   0.399   6.092 -14.541
  190    H    PHE  28           H        PHE  28  -1.091   4.590 -13.997
  191    HA   PHE  28           HA       PHE  28  -1.793   4.419 -11.147
  192    HB2  PHE  28           HB2      PHE  28  -3.656   3.883 -13.470
  193    HB3  PHE  28           HB3      PHE  28  -4.035   3.586 -11.777
  194    HD1  PHE  28           HD1      PHE  28  -3.950   5.604 -10.192
  195    HD2  PHE  28           HD2      PHE  28  -4.122   5.938 -14.431
  196    HE1  PHE  28           HE1      PHE  28  -4.780   7.910  -9.973
  197    HE2  PHE  28           HE2      PHE  28  -4.952   8.244 -14.219
  198    HZ   PHE  28           HZ       PHE  28  -5.281   9.233 -11.988
  199    H    CYS  29           H        CYS  29  -1.776   2.393 -10.257
  200    HA   CYS  29           HA       CYS  29  -0.287   0.387 -11.648
  201    HB2  CYS  29           HB2      CYS  29  -0.381   0.960  -9.088
  202    HB3  CYS  29           HB3      CYS  29  -1.740  -0.160  -9.086
  203    H    LEU  30           H        LEU  30  -1.003  -1.285 -12.801
  204    HA   LEU  30           HA       LEU  30  -3.711  -2.290 -12.395
  205    HB2  LEU  30           HB2      LEU  30  -4.086  -2.289 -14.871
  206    HB3  LEU  30           HB3      LEU  30  -4.114  -0.704 -14.100
  207    HG   LEU  30           HG       LEU  30  -1.524  -0.842 -14.899
  208   HD11  LEU  30          1HD1      LEU  30  -2.828  -2.937 -16.288
  209   HD12  LEU  30          2HD1      LEU  30  -1.178  -2.348 -16.484
  210   HD13  LEU  30          3HD1      LEU  30  -2.481  -1.653 -17.447
  211   HD21  LEU  30          3HD2      LEU  30  -2.075   0.880 -16.294
  212   HD22  LEU  30          1HD2      LEU  30  -3.529   0.827 -15.298
  213   HD23  LEU  30          2HD2      LEU  30  -3.527   0.079 -16.895