*HEADER    ANTIMICROBIAL PROTEIN                   13-JAN-17   5UI7              
*TITLE     SOLUTION NMR STRUCTURE OF LASSO PEPTIDE KLEBSIDIN                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: KLEBSIDIN;                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE 4541-2;                   
*SOURCE   3 ORGANISM_TAXID: 1455603;                                             
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BW25113;                         
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 679895                                      
*KEYWDS    LASSO PEPTIDE RNAP INHIBITOR, STRUCTURE FROM CYANA 2.1, ANTIMICROBIAL 
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    L.B.BUSHIN,M.METELEV,K.SEVERINOV,M.R.SEYEDSAYAMDOST                   
*REVDAT   1   08-FEB-17 5UI7    0                                                
# Restraints file 1: klebsidin-final_restraints.upl
 18 TYR  H      18 TYR  QD      2.67            #peak     2 #SUP  0.35  #QF  0.35
  4 GLY  HA2    18 TYR  H       5.22            #peak     7 #SUP  0.74  #QF  0.41
  5 PRO  HD2    18 TYR  H       5.50            #peak     7 #SUP  0.74  #QF  0.41
  2 SER  H      16 MET  HB2     4.12            #peak    20 #SUP  0.24  #QF  0.24
  2 SER  H       3 ASP  H       4.36            #peak    22 #SUP  0.77  #QF  0.77
  3 ASP  H       4 GLY  H       4.45            #peak    24 #SUP  0.89  #QF  0.89
  7 ILE  HG12   17 HIS  HE1     3.87            #peak    28 #SUP  0.45  #QF  0.45
  7 ILE  H       7 ILE  QG2     4.06            #peak    30 #SUP  0.52  #QF  0.26
  7 ILE  H       7 ILE  QD1     4.29            #peak    30 #SUP  0.52  #QF  0.26
 17 HIS  HA     17 HIS  HE1     5.50            #peak    32 #SUP  0.60  #QF  0.25
  6 ILE  QD1     7 ILE  H       4.72            #peak    33 #SUP  0.41  #QF  0.41
  7 ILE  H      18 TYR  H       5.50            #peak    35 #SUP  0.50  #QF  0.50
  7 ILE  H       8 GLU  H       5.50            #peak    36 #SUP  0.57  #QF  0.57
  7 ILE  H       7 ILE  HB      2.55            #peak    38 #SUP  0.67  #QF  0.67
  6 ILE  HB      7 ILE  H       2.70            #peak    39 #SUP  0.38  #QF  0.38
  7 ILE  H      18 TYR  QE      4.61            #peak    40 #SUP  0.95  #QF  0.95
  6 ILE  H       7 ILE  H       4.58            #peak    41 #SUP  0.88  #QF  0.88
  7 ILE  H      18 TYR  QD      5.13            #peak    42 #SUP  0.91  #QF  0.91
  6 ILE  HG12    7 ILE  H       4.92            #peak    44 #SUP  0.51  #QF  0.51
 16 MET  H      16 MET  HB2     2.83            #peak    60 #SUP  0.30  #QF  0.30
 15 VAL  HA     16 MET  H       3.19            #peak    61 #SUP  0.59  #QF  0.59
 18 TYR  H      19 GLY  H       4.38            #peak    65 #SUP  0.43  #QF  0.43
  5 PRO  HD2    19 GLY  H       4.42            #peak    67 #SUP  0.73  #QF  0.73
 18 TYR  HB2    19 GLY  H       2.68            #peak    69 #SUP  0.61  #QF  0.61
  6 ILE  H      17 HIS  HB3     3.49            #peak    76 #SUP  0.96  #QF  0.96
  5 PRO  HD2     6 ILE  H       2.84            #peak    77 #SUP  0.66  #QF  0.66
  5 PRO  HG3     6 ILE  H       4.21            #peak    78 #SUP  0.81  #QF  0.81
  6 ILE  H      18 TYR  H       3.24            #peak    80 #SUP  0.98  #QF  0.98
  6 ILE  H      18 TYR  QD      4.54            #peak    84 #SUP  0.78  #QF  0.78
  5 PRO  HB3     6 ILE  H       4.27            #peak    85 #SUP  0.76  #QF  0.76
  6 ILE  H       6 ILE  QG2     3.26            #peak    86 #SUP  0.67  #QF  0.67
  6 ILE  H      17 HIS  HD2     3.90            #peak    88 #SUP  0.60  #QF  0.60
  4 GLY  H      18 TYR  H       4.29            #peak    95 #SUP  0.56  #QF  0.56
  4 GLY  H      17 HIS  HD2     5.29            #peak    98 #SUP  0.61  #QF  0.61
  7 ILE  HA      8 GLU  H       2.45            #peak   112 #SUP  0.56  #QF  0.56
  8 GLU  H      18 TYR  H       4.59            #peak   115 #SUP  0.93  #QF  0.93
  8 GLU  H      18 TYR  QD      3.99            #peak   118 #SUP  0.70  #QF  0.70
  7 ILE  HB      8 GLU  H       4.10            #peak   120 #SUP  0.53  #QF  0.53
  9 PHE  H      18 TYR  QE      3.72            #peak   129 #SUP  0.97  #QF  0.97
  9 PHE  H       9 PHE  QE      4.43            #peak   130 #SUP  0.90  #QF  0.90
  8 GLU  HB3     9 PHE  H       3.88            #peak   134 #SUP  0.51  #QF  0.51
  8 GLU  HG3     9 PHE  H       5.33            #peak   137 #SUP  0.43  #QF  0.43
  1 GLY  H       8 GLU  HG2     4.03            #peak   150 #SUP  0.38  #QF  0.38
  1 GLY  H      18 TYR  H       4.97            #peak   152 #SUP  0.84  #QF  0.84
  1 GLY  H      16 MET  HB3     4.41            #peak   153 #SUP  0.32  #QF  0.32
  1 GLY  H       2 SER  H       3.31            #peak   154 #SUP  0.71  #QF  0.71
  1 GLY  H      18 TYR  HB3     3.33            #peak   155 #SUP  0.73  #QF  0.73
  1 GLY  H       8 GLU  HA      5.30            #peak   157 #SUP  0.90  #QF  0.90
  1 GLY  H       3 ASP  H       5.50            #peak   158 #SUP  0.92  #QF  0.92
  8 GLU  HA     10 PHE  HZ      4.82            #peak   177 #SUP  0.57  #QF  0.57
  9 PHE  H       9 PHE  QD      2.99            #peak   181 #SUP  0.96  #QF  0.96
  9 PHE  HZ     10 PHE  QD      5.42            #peak   187 #SUP  0.65  #QF  0.65
 10 PHE  HA     10 PHE  QD      3.91            #peak   188 #SUP  0.94  #QF  0.94
  9 PHE  QE     10 PHE  QD      4.49            #peak   192 #SUP  0.42  #QF  0.42
  9 PHE  H      10 PHE  QD      4.90            #peak   194 #SUP  0.41  #QF  0.41
 18 TYR  QD     19 GLY  H       3.06            #peak   199 #SUP  0.77  #QF  0.77
  6 ILE  HA     18 TYR  QD      5.50            #peak   203 #SUP  0.99  #QF  0.64
  6 ILE  HG13   18 TYR  QD      3.09            #peak   208 #SUP  0.61  #QF  0.61
  8 GLU  HA     18 TYR  QE      2.74            #peak   219 #SUP  0.44  #QF  0.44
  6 ILE  HG12   18 TYR  QE      4.44            #peak   220 #SUP  0.53  #QF  0.53
 18 TYR  H      18 TYR  QE      4.80            #peak   226 #SUP  0.82  #QF  0.82
 10 PHE  QE     18 TYR  QE      4.66            #peak   227 #SUP  0.70  #QF  0.70
 18 TYR  QE     19 GLY  H       5.18            #peak   228 #SUP  0.91  #QF  0.91
  9 PHE  QE     18 TYR  QE      4.26            #peak   229 #SUP  0.94  #QF  0.94
  6 ILE  HA     18 TYR  QE      5.14            #peak   230 #SUP  0.90  #QF  0.90
  9 PHE  HZ     18 TYR  QE      5.00            #peak   231 #SUP  0.98  #QF  0.98
  9 PHE  QD     18 TYR  QE      4.10            #peak   232 #SUP  0.85  #QF  0.85
  6 ILE  H      18 TYR  QE      5.16            #peak   233 #SUP  0.47  #QF  0.47
  7 ILE  QD1    17 HIS  HD2     3.97            #peak   237 #SUP  0.57  #QF  0.57
 17 HIS  HD2    18 TYR  H       4.13            #peak   239 #SUP  0.91  #QF  0.91
  6 ILE  HA     17 HIS  HD2     4.00            #peak   240 #SUP  0.63  #QF  0.63
  7 ILE  HB     17 HIS  HD2     4.84            #peak   242 #SUP  0.94  #QF  0.94
  7 ILE  H      17 HIS  HD2     3.81            #peak   245 #SUP  0.47  #QF  0.47
 17 HIS  HA     17 HIS  HB3     2.59            #peak   258 #SUP  0.67  #QF  0.67
  7 ILE  H      17 HIS  HA      4.82            #peak   261 #SUP  0.99  #QF  0.99
 17 HIS  HA     18 TYR  HB3     4.25            #peak   262 #SUP  0.95  #QF  0.95
  8 GLU  HG3    17 HIS  HA      3.20            #peak   263 #SUP  0.76  #QF  0.76
  6 ILE  H      17 HIS  HA      5.20            #peak   264 #SUP  0.54  #QF  0.54
 17 HIS  HA     18 TYR  QD      3.26            #peak   265 #SUP  0.72  #QF  0.72
  8 GLU  H      17 HIS  HA      2.93            #peak   266 #SUP  0.23  #QF  0.23
  1 GLY  H      17 HIS  HA      4.43            #peak   267 #SUP  0.71  #QF  0.71
 17 HIS  HA     18 TYR  QE      5.09            #peak   270 #SUP  0.33  #QF  0.33
  3 ASP  HA     17 HIS  HB3     3.70            #peak   281 #SUP  0.70  #QF  0.70
  3 ASP  HA     17 HIS  HD2     5.50            #peak   283 #SUP  0.67  #QF  0.67
  3 ASP  HA      4 GLY  HA2     4.90            #peak   284 #SUP  0.27  #QF  0.27
 18 TYR  HA     19 GLY  H       2.93            #peak   306 #SUP  0.53  #QF  0.53
  3 ASP  H      18 TYR  HA      4.92            #peak   307 #SUP  0.83  #QF  0.83
 18 TYR  HA     18 TYR  HB2     2.78            #peak   309 #SUP  0.85  #QF  0.85
  5 PRO  HD2    18 TYR  HA      4.76            #peak   310 #SUP  0.89  #QF  0.89
 18 TYR  HA     18 TYR  QD      3.74            #peak   311 #SUP  0.98  #QF  0.98
  4 GLY  HA2    18 TYR  HA      4.65            #peak   312 #SUP  0.54  #QF  0.54
 18 TYR  HA     18 TYR  HB3     2.65            #peak   313 #SUP  0.93  #QF  0.93
  1 GLY  H      18 TYR  HA      5.28            #peak   314 #SUP  0.94  #QF  0.94
  2 SER  HA      3 ASP  H       3.53            #peak   335 #SUP  0.85  #QF  0.85
  5 PRO  HA     17 HIS  HD2     4.35            #peak   354 #SUP  0.75  #QF  0.75
 10 PHE  HA     10 PHE  HB3     2.71            #peak   360 #SUP  0.55  #QF  0.55
  4 GLY  HA3    17 HIS  HA      5.50            #peak   362 #SUP  0.74  #QF  0.74
  4 GLY  HA3    18 TYR  QD      5.04            #peak   364 #SUP  0.75  #QF  0.75
  6 ILE  HA      7 ILE  H       2.40            #peak   365 #SUP  0.76  #QF  0.76
  6 ILE  HA      7 ILE  HG13    4.03            #peak   367 #SUP  0.76  #QF  0.76
  4 GLY  H       4 GLY  HA3     2.93            #peak   369 #SUP  0.47  #QF  0.47
  9 PHE  HA      9 PHE  HB3     2.97            #peak   370 #SUP  0.37  #QF  0.37
  4 GLY  HA3    18 TYR  H       3.71            #peak   371 #SUP  0.46  #QF  0.46
  9 PHE  HA      9 PHE  HB2     2.97            #peak   372 #SUP  0.69  #QF  0.69
  9 PHE  HA      9 PHE  QD      3.78            #peak   373 #SUP  0.78  #QF  0.78
  8 GLU  HA     17 HIS  HA      5.24            #peak   396 #SUP  0.85  #QF  0.57
 15 VAL  HA     16 MET  HA      5.48            #peak   396 #SUP  0.85  #QF  0.57
  8 GLU  HA      8 GLU  HG3     3.07            #peak   397 #SUP  0.87  #QF  0.87
  8 GLU  HA      9 PHE  QD      4.63            #peak   400 #SUP  0.96  #QF  0.91
  8 GLU  HA     10 PHE  QE      4.78            #peak   402 #SUP  0.86  #QF  0.86
  8 GLU  HA      9 PHE  QE      5.19            #peak   405 #SUP  0.57  #QF  0.57
  8 GLU  HA     18 TYR  QD      3.00            #peak   406 #SUP  0.42  #QF  0.42
  7 ILE  HA     17 HIS  HD2     3.33            #peak   422 #SUP  0.57  #QF  0.57
  7 ILE  HA     18 TYR  H       3.93            #peak   425 #SUP  0.63  #QF  0.63
  7 ILE  HA      9 PHE  H       5.50            #peak   427 #SUP  0.85  #QF  0.85
  7 ILE  HA      7 ILE  HG13    3.29            #peak   428 #SUP  0.99  #QF  0.99
  6 ILE  HA      7 ILE  HA      4.50            #peak   430 #SUP  0.90  #QF  0.90
  7 ILE  HA     17 HIS  HB2     5.50            #peak   431 #SUP  0.59  #QF  0.59
  7 ILE  HA     18 TYR  QE      4.69            #peak   432 #SUP  0.82  #QF  0.82
  7 ILE  HA     18 TYR  QD      3.98            #peak   435 #SUP  0.59  #QF  0.59
  4 GLY  HA3     5 PRO  HD3     3.29            #peak   452 #SUP  0.79  #QF  0.79
  5 PRO  HD3     6 ILE  H       3.89            #peak   453 #SUP  0.80  #QF  0.80
  4 GLY  H       5 PRO  HD3     5.31            #peak   454 #SUP  0.53  #QF  0.53
  4 GLY  HA2    17 HIS  HB3     4.63            #peak   459 #SUP  0.39  #QF  0.39
  6 ILE  HA     17 HIS  HB3     4.89            #peak   460 #SUP  0.66  #QF  0.66
  7 ILE  HA     17 HIS  HB3     4.06            #peak   463 #SUP  0.70  #QF  0.70
  4 GLY  H      17 HIS  HB3     3.16            #peak   465 #SUP  0.83  #QF  0.83
  6 ILE  HG13   17 HIS  HB3     5.46            #peak   466 #SUP  0.40  #QF  0.40
 17 HIS  HB3    17 HIS  HD2     2.86            #peak   467 #SUP  0.30  #QF  0.30
 18 TYR  H      18 TYR  HB2     4.15            #peak   470 #SUP  0.78  #QF  0.78
  9 PHE  H      10 PHE  HB3     4.47            #peak   522 #SUP  0.77  #QF  0.77
  4 GLY  H      17 HIS  HB2     2.57            #peak   523 #SUP  0.29  #QF  0.29
  9 PHE  QE     10 PHE  HB3     4.88            #peak   525 #SUP  0.96  #QF  0.96
  4 GLY  HA2    17 HIS  HB2     4.47            #peak   527 #SUP  0.45  #QF  0.45
  9 PHE  QD     10 PHE  HB3     4.06            #peak   531 #SUP  0.37  #QF  0.37
 17 HIS  HB2    18 TYR  QD      5.36            #peak   533 #SUP  0.99  #QF  0.99
 17 HIS  HB2    18 TYR  H       3.39            #peak   535 #SUP  0.77  #QF  0.77
  8 GLU  H      17 HIS  HB2     5.50            #peak   536 #SUP  0.56  #QF  0.56
  1 GLY  H      16 MET  HB2     4.34            #peak   551 #SUP  0.62  #QF  0.62
 10 PHE  QE     12 PRO  HB2     4.96            #peak   553 #SUP  0.54  #QF  0.54
 10 PHE  HZ     12 PRO  HB2     5.50            #peak   555 #SUP  0.52  #QF  0.52
  5 PRO  HB3     6 ILE  HG12    5.35            #peak   558 #SUP  0.99  #QF  0.99
  4 GLY  HA2     5 PRO  HB3     5.24            #peak   560 #SUP  0.68  #QF  0.68
  8 GLU  HG2    10 PHE  HZ      4.48            #peak   566 #SUP  0.73  #QF  0.73
  8 GLU  H       8 GLU  HG2     4.16            #peak   567 #SUP  0.71  #QF  0.71
  8 GLU  HG2    18 TYR  HB2     3.74            #peak   568 #SUP  0.89  #QF  0.89
  8 GLU  HG2    10 PHE  QD      4.84            #peak   569 #SUP  0.74  #QF  0.74
  8 GLU  HG2    10 PHE  QE      4.91            #peak   570 #SUP  0.75  #QF  0.75
  8 GLU  HG2    18 TYR  QD      2.82            #peak   571 #SUP  0.96  #QF  0.96
  8 GLU  HB3     8 GLU  HG2     2.83            #peak   572 #SUP  0.93  #QF  0.93
  8 GLU  HG2    18 TYR  QE      3.89            #peak   574 #SUP  0.94  #QF  0.94
 16 MET  HB2    16 MET  QE      4.07            #peak   575 #SUP  0.52  #QF  0.52
  8 GLU  HG2     9 PHE  H       4.67            #peak   578 #SUP  0.60  #QF  0.60
  4 GLY  HA2     5 PRO  HG3     4.89            #peak   582 #SUP  0.46  #QF  0.46
 16 MET  HA     16 MET  QE      4.37            #peak   583 #SUP  0.45  #QF  0.45
  5 PRO  HG2     6 ILE  H       2.71            #peak   587 #SUP  0.69  #QF  0.69
 10 PHE  QE     12 PRO  HB3     3.95            #peak   589 #SUP  0.67  #QF  0.67
 10 PHE  QD     12 PRO  HB3     4.25            #peak   594 #SUP  0.81  #QF  0.81
 10 PHE  HZ     12 PRO  HB3     4.31            #peak   595 #SUP  0.91  #QF  0.91
  8 GLU  HG3    18 TYR  HB3     3.51            #peak   605 #SUP  0.42  #QF  0.42
  8 GLU  HG3    18 TYR  H       3.94            #peak   606 #SUP  0.51  #QF  0.51
  8 GLU  HG3    18 TYR  QE      4.19            #peak   607 #SUP  0.70  #QF  0.70
  7 ILE  HA      8 GLU  HG3     4.64            #peak   608 #SUP  0.87  #QF  0.29
  8 GLU  HG3    18 TYR  QD      2.82            #peak   609 #SUP  0.96  #QF  0.96
  7 ILE  HA      8 GLU  HB2     4.68            #peak   613 #SUP  0.61  #QF  0.61
  8 GLU  HB2    18 TYR  QD      4.37            #peak   614 #SUP  0.91  #QF  0.91
  8 GLU  HB2    18 TYR  QE      5.24            #peak   615 #SUP  0.99  #QF  0.99
  8 GLU  H       8 GLU  HB2     3.11            #peak   616 #SUP  0.81  #QF  0.81
  8 GLU  HB2    17 HIS  HA      4.42            #peak   617 #SUP  0.54  #QF  0.54
  1 GLY  H       8 GLU  HB2     3.92            #peak   619 #SUP  0.86  #QF  0.86
  8 GLU  HB2    18 TYR  HB3     5.05            #peak   622 #SUP  0.51  #QF  0.51
  6 ILE  HA      7 ILE  HB      4.76            #peak   625 #SUP  0.34  #QF  0.34
  7 ILE  HB      9 PHE  H       5.50            #peak   627 #SUP  0.76  #QF  0.76
  7 ILE  HB     17 HIS  HA      5.10            #peak   628 #SUP  0.52  #QF  0.52
  7 ILE  HB      9 PHE  QE      5.39            #peak   632 #SUP  0.96  #QF  0.96
  7 ILE  HG13   17 HIS  HA      5.39            #peak   633 #SUP  0.78  #QF  0.78
  7 ILE  H       7 ILE  HG13    2.75            #peak   637 #SUP  0.90  #QF  0.90
  7 ILE  HB      7 ILE  HG13    2.69            #peak   638 #SUP  0.65  #QF  0.65
  7 ILE  HG13    8 GLU  H       4.88            #peak   639 #SUP  0.43  #QF  0.43
  7 ILE  HG13   17 HIS  HD2     3.28            #peak   640 #SUP  0.44  #QF  0.44
  8 GLU  HB3    18 TYR  QE      5.16            #peak   642 #SUP  0.93  #QF  0.93
  8 GLU  HB3    18 TYR  QD      4.44            #peak   643 #SUP  0.98  #QF  0.98
  8 GLU  HB3    17 HIS  HA      5.50            #peak   645 #SUP  0.52  #QF  0.52
  8 GLU  HB3    10 PHE  HZ      4.81            #peak   647 #SUP  0.72  #QF  0.72
  8 GLU  H       8 GLU  HB3     3.68            #peak   649 #SUP  0.54  #QF  0.54
  8 GLU  HB3    10 PHE  QE      4.88            #peak   650 #SUP  0.52  #QF  0.52
  1 GLY  H       8 GLU  HB3     4.43            #peak   651 #SUP  0.56  #QF  0.56
  8 GLU  HA      8 GLU  HB3     2.67            #peak   652 #SUP  0.50  #QF  0.50
  8 GLU  HB3    18 TYR  HB3     4.91            #peak   653 #SUP  0.41  #QF  0.41
  6 ILE  H       6 ILE  HG12    2.64            #peak   657 #SUP  0.86  #QF  0.86
  5 PRO  HD3     6 ILE  HG12    4.74            #peak   660 #SUP  0.97  #QF  0.97
  5 PRO  HG2     6 ILE  HG12    2.66            #peak   661 #SUP  0.96  #QF  0.96
  5 PRO  HD2     6 ILE  HG12    3.56            #peak   662 #SUP  0.90  #QF  0.90
  6 ILE  HG12   18 TYR  QD      4.45            #peak   663 #SUP  0.90  #QF  0.90
  6 ILE  HA      6 ILE  HG12    3.72            #peak   664 #SUP  0.78  #QF  0.78
  6 ILE  HG12   18 TYR  H       4.43            #peak   667 #SUP  0.61  #QF  0.61
  7 ILE  HA      7 ILE  HG12    2.98            #peak   669 #SUP  0.86  #QF  0.86
  7 ILE  HG12   17 HIS  HD2     3.33            #peak   671 #SUP  0.76  #QF  0.76
  6 ILE  HA      6 ILE  QG2     2.40            #peak   676 #SUP  0.69  #QF  0.69
  5 PRO  HB3     6 ILE  QG2     4.99            #peak   677 #SUP  0.84  #QF  0.84
  6 ILE  HB      9 PHE  QE      4.84            #peak   678 #SUP  0.97  #QF  0.84
  6 ILE  QG2     9 PHE  QE      5.46            #peak   678 #SUP  0.97  #QF  0.84
  6 ILE  HB     18 TYR  QE      3.04            #peak   680 #SUP  0.78  #QF  0.78
  6 ILE  HB      9 PHE  HZ      5.50            #peak   681 #SUP  0.93  #QF  0.74
  6 ILE  QG2     9 PHE  HZ      5.50            #peak   681 #SUP  0.93  #QF  0.74
  5 PRO  HG2     6 ILE  QG2     3.10            #peak   685 #SUP  0.45  #QF  0.45
  6 ILE  HG13   18 TYR  H       3.44            #peak   687 #SUP  0.75  #QF  0.75
  6 ILE  H       6 ILE  HG13    2.85            #peak   688 #SUP  0.54  #QF  0.54
  7 ILE  QG2    18 TYR  H       5.50            #peak   697 #SUP  0.82  #QF  0.82
  7 ILE  QG2    18 TYR  QE      4.97            #peak   699 #SUP  0.96  #QF  0.96
  7 ILE  QG2     9 PHE  QE      5.28            #peak   700 #SUP  0.95  #QF  0.95
  7 ILE  QG2     9 PHE  H       3.99            #peak   702 #SUP  0.90  #QF  0.90
  7 ILE  QG2     8 GLU  HA      3.99            #peak   704 #SUP  0.80  #QF  0.80
  7 ILE  QG2     8 GLU  H       3.20            #peak   706 #SUP  0.71  #QF  0.71
  7 ILE  QG2     9 PHE  HA      4.00            #peak   707 #SUP  0.61  #QF  0.61
  7 ILE  QG2    18 TYR  QD      4.75            #peak   709 #SUP  0.65  #QF  0.65
  7 ILE  HA      7 ILE  QG2     2.62            #peak   710 #SUP  0.60  #QF  0.60
  7 ILE  QG2    17 HIS  HA      3.80            #peak   711 #SUP  0.24  #QF  0.24
  7 ILE  QG2     9 PHE  QD      4.42            #peak   713 #SUP  0.36  #QF  0.36
  5 PRO  HG2     6 ILE  QD1     3.41            #peak   718 #SUP  0.59  #QF  0.59
  6 ILE  QD1    18 TYR  QD      3.78            #peak   719 #SUP  0.59  #QF  0.59
  6 ILE  QD1    18 TYR  QE      3.04            #peak   720 #SUP  0.62  #QF  0.62
  6 ILE  QD1    18 TYR  HB3     5.50            #peak   721 #SUP  0.64  #QF  0.64
  6 ILE  QD1     9 PHE  HZ      5.50            #peak   722 #SUP  0.68  #QF  0.68
  6 ILE  QD1     9 PHE  QE      5.50            #peak   723 #SUP  0.71  #QF  0.71
  5 PRO  HD2     6 ILE  QD1     4.24            #peak   725 #SUP  0.84  #QF  0.84
  6 ILE  QD1    18 TYR  HB2     5.27            #peak   726 #SUP  0.84  #QF  0.84
  6 ILE  H       6 ILE  QD1     3.67            #peak   727 #SUP  0.86  #QF  0.86
  6 ILE  QG2     6 ILE  QD1     2.46            #peak   728 #SUP  0.89  #QF  0.67
  6 ILE  QD1    18 TYR  H       4.78            #peak   729 #SUP  0.93  #QF  0.93
  6 ILE  QD1    19 GLY  H       5.22            #peak   730 #SUP  0.93  #QF  0.93
  5 PRO  HD3     6 ILE  QD1     5.50            #peak   731 #SUP  0.99  #QF  0.99
  1 GLY  H       1 GLY  QA      2.40            #peak   439
  1 GLY  H       2 SER  QB      4.80            #peak   148
  1 GLY  QA      8 GLU  HG3     4.14            #peak   608
  2 SER  H       2 SER  QB      3.20            #peak    19
  2 SER  QB      3 ASP  H       2.66            #peak    25
  2 SER  QB      3 ASP  QB      4.45            #peak   515
  2 SER  QB     18 TYR  HA      3.75            #peak   305
  7 ILE  QG2     9 PHE  QB      4.84            #peak   484
  9 PHE  H       9 PHE  QB      3.16            #peak   135
  9 PHE  HA      9 PHE  QB      2.46            #peak   370
 10 PHE  QE     12 PRO  QD      5.21            #peak   445
 15 VAL  HA     16 MET  QG      4.97            #peak   390
 15 VAL  QQG    16 MET  QG      4.66            #peak   549
 16 MET  H      16 MET  QG      3.96            #peak    62
 16 MET  QG     16 MET  QE      3.51            #peak   580
 18 TYR  H      19 GLY  QA      4.83            #peak     8
 18 TYR  QD     19 GLY  QA      4.11            #peak   212
 19 GLY  H      19 GLY  QA      2.34            #peak   418
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1   1.811  -0.001   0.854
    2    HA2  GLY   1          2HA       GLY   1   1.383   0.164  -2.063
    3    HA3  GLY   1          3HA       GLY   1   2.787   0.810  -1.226
    4    H    SER   2           H        SER   2   3.679  -1.174   0.314
    5    HA   SER   2           HA       SER   2   3.753  -3.686  -1.088
    6    HB2  SER   2          2HB       SER   2   6.032  -1.742  -1.249
    7    HB3  SER   2          3HB       SER   2   6.363  -3.474  -1.223
    8    HG   SER   2           HG       SER   2   5.262  -1.913  -3.209
    9    H    ASP   3           H        ASP   3   6.197  -2.062   0.912
   10    HA   ASP   3           HA       ASP   3   5.396  -3.255   3.352
   11    HB2  ASP   3          2HB       ASP   3   6.205  -5.299   2.231
   12    HB3  ASP   3          3HB       ASP   3   7.774  -4.536   1.987
   13    H    GLY   4           H        GLY   4   5.796  -0.791   3.316
   14    HA2  GLY   4          2HA       GLY   4   8.614  -0.107   3.703
   15    HA3  GLY   4          3HA       GLY   4   7.276   1.028   3.592
   16    HA   PRO   5           HA       PRO   5   8.599   0.492   8.054
   17    HB2  PRO   5          2HB       PRO   5   9.115   3.118   8.509
   18    HB3  PRO   5          3HB       PRO   5  10.330   1.994   7.889
   19    HG2  PRO   5          2HG       PRO   5   8.644   3.972   6.402
   20    HG3  PRO   5          3HG       PRO   5  10.367   3.600   6.208
   21    HD2  PRO   5          2HD       PRO   5   8.468   2.613   4.550
   22    HD3  PRO   5          3HD       PRO   5   9.947   1.716   4.947
   23    H    ILE   6           H        ILE   6   6.419   2.542   6.285
   24    HA   ILE   6           HA       ILE   6   4.762   2.858   8.701
   25    HB   ILE   6           HB       ILE   6   3.644   4.720   7.350
   26   HG12  ILE   6          2HG1      ILE   6   6.191   4.362   5.759
   27   HG13  ILE   6          3HG1      ILE   6   4.542   4.214   5.162
   28   HG21  ILE   6          1HG2      ILE   6   4.992   6.293   8.349
   29   HG22  ILE   6          2HG2      ILE   6   5.428   4.844   9.255
   30   HG23  ILE   6          3HG2      ILE   6   6.477   5.424   7.961
   31   HD11  ILE   6          1HD1      ILE   6   4.660   6.762   6.245
   32   HD12  ILE   6          2HD1      ILE   6   6.206   6.550   5.422
   33   HD13  ILE   6          3HD1      ILE   6   4.697   6.330   4.536
   34    H    ILE   7           H        ILE   7   2.502   2.572   8.510
   35    HA   ILE   7           HA       ILE   7   1.771   0.574   6.538
   36    HB   ILE   7           HB       ILE   7   0.208   1.710   8.858
   37   HG12  ILE   7          2HG1      ILE   7   1.283  -1.085   8.647
   38   HG13  ILE   7          3HG1      ILE   7   2.323   0.223   9.201
   39   HG21  ILE   7          1HG2      ILE   7  -0.438  -0.580   7.007
   40   HG22  ILE   7          2HG2      ILE   7  -1.323  -0.187   8.480
   41   HG23  ILE   7          3HG2      ILE   7  -1.305   0.951   7.133
   42   HD11  ILE   7          1HD1      ILE   7   0.037  -1.082  10.534
   43   HD12  ILE   7          2HD1      ILE   7   1.547  -0.464  11.204
   44   HD13  ILE   7          3HD1      ILE   7   0.240   0.650  10.801
   45    H    GLU   8           H        GLU   8   0.186   0.774   4.992
   46    HA   GLU   8           HA       GLU   8  -0.269   3.393   3.961
   47    HB2  GLU   8          2HB       GLU   8  -1.283   0.665   3.182
   48    HB3  GLU   8          3HB       GLU   8  -1.792   2.125   2.346
   49    HG2  GLU   8          2HG       GLU   8   0.525   2.603   1.756
   50    HG3  GLU   8          3HG       GLU   8   1.043   1.146   2.603
   51    H    PHE   9           H        PHE   9  -1.502   4.678   5.235
   52    HA   PHE   9           HA       PHE   9  -4.145   3.670   6.044
   53    HB2  PHE   9          2HB       PHE   9  -4.077   5.724   7.590
   54    HB3  PHE   9          3HB       PHE   9  -3.030   4.367   7.993
   55    HD1  PHE   9           HD1      PHE   9  -0.773   4.720   8.351
   56    HD2  PHE   9           HD2      PHE   9  -3.022   7.627   6.204
   57    HE1  PHE   9           HE1      PHE   9   1.174   6.224   8.355
   58    HE2  PHE   9           HE2      PHE   9  -1.078   9.135   6.203
   59    HZ   PHE   9           HZ       PHE   9   1.024   8.435   7.279
   60    H    PHE  10           H        PHE  10  -3.534   4.603   3.380
   61    HA   PHE  10           HA       PHE  10  -5.272   6.981   3.287
   62    HB2  PHE  10          2HB       PHE  10  -4.105   7.532   1.124
   63    HB3  PHE  10          3HB       PHE  10  -3.097   7.667   2.561
   64    HD1  PHE  10           HD1      PHE  10  -3.830   5.613  -0.406
   65    HD2  PHE  10           HD2      PHE  10  -1.186   6.295   2.859
   66    HE1  PHE  10           HE1      PHE  10  -2.182   4.099  -1.429
   67    HE2  PHE  10           HE2      PHE  10   0.467   4.783   1.841
   68    HZ   PHE  10           HZ       PHE  10  -0.030   3.684  -0.306
   69    H    ASN  11           H        ASN  11  -5.973   4.123   3.231
   70    HA   ASN  11           HA       ASN  11  -7.417   2.740   2.148
   71    HB2  ASN  11          2HB       ASN  11  -8.687   4.928   1.954
   72    HB3  ASN  11          3HB       ASN  11  -8.029   5.069   0.326
   73   HD21  ASN  11          1HD2      ASN  11 -10.498   5.115   0.088
   74   HD22  ASN  11          2HD2      ASN  11 -11.240   3.595  -0.264
   75    HA   PRO  12           HA       PRO  12  -4.218   2.235  -1.229
   76    HB2  PRO  12          2HB       PRO  12  -3.249  -0.132  -0.320
   77    HB3  PRO  12          3HB       PRO  12  -2.623   1.432   0.216
   78    HG2  PRO  12          2HG       PRO  12  -4.577  -0.391   1.566
   79    HG3  PRO  12          3HG       PRO  12  -3.218   0.508   2.266
   80    HD2  PRO  12          2HD       PRO  12  -5.782   1.360   2.457
   81    HD3  PRO  12          3HD       PRO  12  -4.408   2.480   2.359
   82    H    ASN  13           H        ASN  13  -3.822  -0.150  -2.300
   83    HA   ASN  13           HA       ASN  13  -6.429  -0.869  -3.310
   84    HB2  ASN  13          2HB       ASN  13  -3.845  -0.842  -4.363
   85    HB3  ASN  13          3HB       ASN  13  -4.247  -2.552  -4.234
   86   HD21  ASN  13          1HD2      ASN  13  -4.870  -3.245  -6.143
   87   HD22  ASN  13          2HD2      ASN  13  -5.970  -2.443  -7.207
   88    H    GLY  14           H        GLY  14  -4.200  -2.073  -0.983
   89    HA2  GLY  14          2HA       GLY  14  -5.994  -4.334  -0.477
   90    HA3  GLY  14          3HA       GLY  14  -4.292  -4.681  -0.744
   91    H    VAL  15           H        VAL  15  -3.205  -4.994   1.068
   92    HA   VAL  15           HA       VAL  15  -3.550  -3.173   3.306
   93    HB   VAL  15           HB       VAL  15  -3.942  -6.151   3.636
   94   HG11  VAL  15          1HG1      VAL  15  -2.780  -5.500   5.545
   95   HG12  VAL  15          2HG1      VAL  15  -3.568  -3.922   5.605
   96   HG13  VAL  15          3HG1      VAL  15  -4.469  -5.376   6.035
   97   HG21  VAL  15          1HG2      VAL  15  -5.817  -3.809   3.844
   98   HG22  VAL  15          2HG2      VAL  15  -5.965  -5.240   2.824
   99   HG23  VAL  15          3HG2      VAL  15  -6.168  -5.377   4.571
  100    H    MET  16           H        MET  16  -1.419  -2.541   2.832
  101    HA   MET  16           HA       MET  16   0.588  -4.203   4.066
  102    HB2  MET  16          2HB       MET  16   0.529  -3.713   1.115
  103    HB3  MET  16          3HB       MET  16   2.081  -3.797   1.938
  104    HG2  MET  16          2HG       MET  16   1.976  -5.989   1.624
  105    HG3  MET  16          3HG       MET  16   0.750  -6.005   2.890
  106    HE1  MET  16          1HE       MET  16   1.315  -4.963  -0.588
  107    HE2  MET  16          2HE       MET  16   0.607  -6.290  -1.508
  108    HE3  MET  16          3HE       MET  16  -0.335  -4.832  -1.197
  109    H    HIS  17           H        HIS  17   2.758  -3.051   4.055
  110    HA   HIS  17           HA       HIS  17   2.319  -0.328   4.866
  111    HB2  HIS  17          2HB       HIS  17   4.831  -2.005   4.719
  112    HB3  HIS  17          3HB       HIS  17   4.770  -0.371   5.375
  113    HD1  HIS  17           HD1      HIS  17   2.895  -3.635   5.994
  114    HD2  HIS  17           HD2      HIS  17   4.506  -0.407   8.055
  115    HE1  HIS  17           HE1      HIS  17   2.493  -4.123   8.427
  116    H    TYR  18           H        TYR  18   4.463   1.098   4.170
  117    HA   TYR  18           HA       TYR  18   5.222   0.948   1.449
  118    HB2  TYR  18          2HB       TYR  18   3.887   2.568   0.412
  119    HB3  TYR  18          3HB       TYR  18   2.735   1.638   1.363
  120    HD1  TYR  18           HD1      TYR  18   3.641   4.855   0.459
  121    HD2  TYR  18           HD2      TYR  18   2.477   2.606   3.878
  122    HE1  TYR  18           HE1      TYR  18   2.888   6.923   1.556
  123    HE2  TYR  18           HE2      TYR  18   1.719   4.668   4.984
  124    HH   TYR  18           HH       TYR  18   1.184   7.514   3.400
  125    H    GLY  19           H        GLY  19   6.211   3.118   0.721
  126    HA2  GLY  19          2HA       GLY  19   8.034   3.937   2.769
  127    HA3  GLY  19          3HA       GLY  19   7.971   4.553   1.124
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1   1.900   0.050   0.857
    2    HA2  GLY   1          2HA       GLY   1   1.601   0.288  -2.072
    3    HA3  GLY   1          3HA       GLY   1   2.996   0.870  -1.175
    4    H    SER   2           H        SER   2   3.749  -1.152   0.383
    5    HA   SER   2           HA       SER   2   3.764  -3.668  -1.007
    6    HB2  SER   2          2HB       SER   2   6.121  -1.817  -1.140
    7    HB3  SER   2          3HB       SER   2   6.381  -3.561  -1.099
    8    HG   SER   2           HG       SER   2   5.578  -2.004  -3.150
    9    H    ASP   3           H        ASP   3   6.243  -2.134   1.019
   10    HA   ASP   3           HA       ASP   3   5.348  -3.293   3.450
   11    HB2  ASP   3          2HB       ASP   3   7.362  -4.840   3.699
   12    HB3  ASP   3          3HB       ASP   3   6.070  -5.393   2.636
   13    H    GLY   4           H        GLY   4   5.802  -0.837   3.420
   14    HA2  GLY   4          2HA       GLY   4   8.624  -0.212   3.869
   15    HA3  GLY   4          3HA       GLY   4   7.313   0.950   3.729
   16    HA   PRO   5           HA       PRO   5   8.528   0.388   8.219
   17    HB2  PRO   5          2HB       PRO   5   9.089   3.003   8.685
   18    HB3  PRO   5          3HB       PRO   5  10.293   1.854   8.090
   19    HG2  PRO   5          2HG       PRO   5   8.681   3.866   6.568
   20    HG3  PRO   5          3HG       PRO   5  10.400   3.459   6.410
   21    HD2  PRO   5          2HD       PRO   5   8.516   2.510   4.712
   22    HD3  PRO   5          3HD       PRO   5   9.968   1.584   5.141
   23    H    ILE   6           H        ILE   6   6.433   2.489   6.405
   24    HA   ILE   6           HA       ILE   6   4.733   2.845   8.785
   25    HB   ILE   6           HB       ILE   6   3.677   4.718   7.399
   26   HG12  ILE   6          2HG1      ILE   6   6.251   4.302   5.867
   27   HG13  ILE   6          3HG1      ILE   6   4.613   4.182   5.234
   28   HG21  ILE   6          1HG2      ILE   6   6.429   5.578   7.956
   29   HG22  ILE   6          2HG2      ILE   6   4.900   6.173   8.599
   30   HG23  ILE   6          3HG2      ILE   6   5.632   4.717   9.272
   31   HD11  ILE   6          1HD1      ILE   6   6.315   6.487   5.513
   32   HD12  ILE   6          2HD1      ILE   6   4.816   6.293   4.604
   33   HD13  ILE   6          3HD1      ILE   6   4.762   6.735   6.311
   34    H    ILE   7           H        ILE   7   2.471   2.604   8.551
   35    HA   ILE   7           HA       ILE   7   1.739   0.606   6.578
   36    HB   ILE   7           HB       ILE   7   0.145   1.789   8.855
   37   HG12  ILE   7          2HG1      ILE   7   1.168  -1.026   8.721
   38   HG13  ILE   7          3HG1      ILE   7   2.244   0.266   9.239
   39   HG21  ILE   7          1HG2      ILE   7  -1.404  -0.084   8.467
   40   HG22  ILE   7          2HG2      ILE   7  -1.328   1.019   7.094
   41   HG23  ILE   7          3HG2      ILE   7  -0.484  -0.527   7.030
   42   HD11  ILE   7          1HD1      ILE   7   0.213   0.814  10.838
   43   HD12  ILE   7          2HD1      ILE   7  -0.112  -0.903  10.594
   44   HD13  ILE   7          3HD1      ILE   7   1.439  -0.384  11.253
   45    H    GLU   8           H        GLU   8   0.128   0.814   5.040
   46    HA   GLU   8           HA       GLU   8  -0.264   3.464   4.011
   47    HB2  GLU   8          2HB       GLU   8  -1.223   0.746   3.126
   48    HB3  GLU   8          3HB       GLU   8  -1.678   2.226   2.293
   49    HG2  GLU   8          2HG       GLU   8   0.705   2.704   1.898
   50    HG3  GLU   8          3HG       GLU   8   1.116   1.170   2.663
   51    H    PHE   9           H        PHE   9  -1.608   4.736   5.151
   52    HA   PHE   9           HA       PHE   9  -4.228   3.645   5.927
   53    HB2  PHE   9          2HB       PHE   9  -4.292   5.764   7.384
   54    HB3  PHE   9          3HB       PHE   9  -3.198   4.474   7.871
   55    HD1  PHE   9           HD1      PHE   9  -3.413   7.809   6.340
   56    HD2  PHE   9           HD2      PHE   9  -0.840   4.786   7.873
   57    HE1  PHE   9           HE1      PHE   9  -1.538   9.402   6.323
   58    HE2  PHE   9           HE2      PHE   9   1.039   6.374   7.859
   59    HZ   PHE   9           HZ       PHE   9   0.692   8.685   7.084
   60    H    PHE  10           H        PHE  10  -3.880   4.292   3.264
   61    HA   PHE  10           HA       PHE  10  -5.687   6.590   3.016
   62    HB2  PHE  10          2HB       PHE  10  -4.437   7.185   0.877
   63    HB3  PHE  10          3HB       PHE  10  -3.615   7.554   2.390
   64    HD1  PHE  10           HD1      PHE  10  -3.552   5.615  -0.663
   65    HD2  PHE  10           HD2      PHE  10  -1.739   6.142   3.152
   66    HE1  PHE  10           HE1      PHE  10  -1.602   4.315  -1.414
   67    HE2  PHE  10           HE2      PHE  10   0.214   4.845   2.407
   68    HZ   PHE  10           HZ       PHE  10   0.285   3.930   0.121
   69    H    ASN  11           H        ASN  11  -5.824   3.558   2.876
   70    HA   ASN  11           HA       ASN  11  -6.830   1.933   1.633
   71    HB2  ASN  11          2HB       ASN  11  -8.324   4.257   0.402
   72    HB3  ASN  11          3HB       ASN  11  -8.865   2.584   0.500
   73   HD21  ASN  11          1HD2      ASN  11 -10.423   4.630   1.430
   74   HD22  ASN  11          2HD2      ASN  11 -10.522   4.547   3.153
   75    HA   PRO  12           HA       PRO  12  -4.132   2.860  -2.057
   76    HB2  PRO  12          2HB       PRO  12  -2.522   0.697  -1.738
   77    HB3  PRO  12          3HB       PRO  12  -2.215   2.248  -0.947
   78    HG2  PRO  12          2HG       PRO  12  -3.490  -0.223   0.161
   79    HG3  PRO  12          3HG       PRO  12  -2.300   0.855   0.913
   80    HD2  PRO  12          2HD       PRO  12  -4.942   0.974   1.490
   81    HD3  PRO  12          3HD       PRO  12  -3.895   2.408   1.508
   82    H    ASN  13           H        ASN  13  -5.098  -0.376  -0.898
   83    HA   ASN  13           HA       ASN  13  -6.862  -0.925  -2.987
   84    HB2  ASN  13          2HB       ASN  13  -4.256  -0.998  -3.919
   85    HB3  ASN  13          3HB       ASN  13  -4.613  -2.691  -3.589
   86   HD21  ASN  13          1HD2      ASN  13  -5.500  -3.769  -5.184
   87   HD22  ASN  13          2HD2      ASN  13  -6.427  -3.099  -6.479
   88    H    GLY  14           H        GLY  14  -4.533  -2.175  -0.676
   89    HA2  GLY  14          2HA       GLY  14  -6.526  -4.163   0.153
   90    HA3  GLY  14          3HA       GLY  14  -4.904  -4.718  -0.233
   91    H    VAL  15           H        VAL  15  -3.499  -4.835   1.387
   92    HA   VAL  15           HA       VAL  15  -3.589  -2.948   3.583
   93    HB   VAL  15           HB       VAL  15  -3.555  -4.867   5.269
   94   HG11  VAL  15          1HG1      VAL  15  -5.517  -3.232   4.500
   95   HG12  VAL  15          2HG1      VAL  15  -6.258  -4.772   4.061
   96   HG13  VAL  15          3HG1      VAL  15  -5.745  -4.480   5.724
   97   HG21  VAL  15          1HG2      VAL  15  -3.547  -6.451   3.057
   98   HG22  VAL  15          2HG2      VAL  15  -4.032  -6.979   4.668
   99   HG23  VAL  15          3HG2      VAL  15  -5.254  -6.476   3.501
  100    H    MET  16           H        MET  16  -1.512  -2.360   2.960
  101    HA   MET  16           HA       MET  16   0.579  -4.096   3.942
  102    HB2  MET  16          2HB       MET  16   0.333  -3.369   1.034
  103    HB3  MET  16          3HB       MET  16   1.896  -3.722   1.757
  104    HG2  MET  16          2HG       MET  16   0.933  -5.922   2.499
  105    HG3  MET  16          3HG       MET  16  -0.467  -5.556   1.493
  106    HE1  MET  16          1HE       MET  16   1.684  -4.139  -1.225
  107    HE2  MET  16          2HE       MET  16   0.772  -5.428  -2.011
  108    HE3  MET  16          3HE       MET  16   0.002  -4.428  -0.779
  109    H    HIS  17           H        HIS  17   2.632  -3.002   4.158
  110    HA   HIS  17           HA       HIS  17   2.309  -0.261   4.902
  111    HB2  HIS  17          2HB       HIS  17   4.760  -2.029   4.787
  112    HB3  HIS  17          3HB       HIS  17   4.747  -0.397   5.450
  113    HD1  HIS  17           HD1      HIS  17   2.782  -3.614   6.026
  114    HD2  HIS  17           HD2      HIS  17   4.408  -0.417   8.123
  115    HE1  HIS  17           HE1      HIS  17   2.317  -4.094   8.450
  116    H    TYR  18           H        TYR  18   4.509   1.088   4.239
  117    HA   TYR  18           HA       TYR  18   5.320   0.912   1.540
  118    HB2  TYR  18          2HB       TYR  18   4.051   2.562   0.463
  119    HB3  TYR  18          3HB       TYR  18   2.855   1.657   1.384
  120    HD1  TYR  18           HD1      TYR  18   3.830   4.851   0.493
  121    HD2  TYR  18           HD2      TYR  18   2.567   2.635   3.898
  122    HE1  TYR  18           HE1      TYR  18   3.089   6.936   1.567
  123    HE2  TYR  18           HE2      TYR  18   1.821   4.714   4.981
  124    HH   TYR  18           HH       TYR  18   2.691   7.772   3.884
  125    H    GLY  19           H        GLY  19   6.367   3.064   0.824
  126    HA2  GLY  19          2HA       GLY  19   8.141   3.864   2.934
  127    HA3  GLY  19          3HA       GLY  19   8.173   4.433   1.272
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1   1.279  -0.194   0.932
    2    HA2  GLY   1          2HA       GLY   1  -0.313  -1.727  -0.087
    3    HA3  GLY   1          3HA       GLY   1  -0.119  -0.833  -1.588
    4    H    SER   2           H        SER   2   2.766  -1.338   0.158
    5    HA   SER   2           HA       SER   2   3.403  -3.775  -1.340
    6    HB2  SER   2          2HB       SER   2   5.058  -1.241  -1.383
    7    HB3  SER   2          3HB       SER   2   5.596  -2.798  -2.011
    8    HG   SER   2           HG       SER   2   4.615  -1.259  -3.553
    9    H    ASP   3           H        ASP   3   5.359  -1.480   0.540
   10    HA   ASP   3           HA       ASP   3   5.396  -2.923   2.940
   11    HB2  ASP   3          2HB       ASP   3   6.895  -4.196   0.941
   12    HB3  ASP   3          3HB       ASP   3   8.080  -3.386   1.962
   13    H    GLY   4           H        GLY   4   6.791  -2.001   4.515
   14    HA2  GLY   4          2HA       GLY   4   8.841  -0.227   4.209
   15    HA3  GLY   4          3HA       GLY   4   7.403   0.758   3.986
   16    HA   PRO   5           HA       PRO   5   8.530   0.324   8.546
   17    HB2  PRO   5          2HB       PRO   5   9.093   2.943   8.988
   18    HB3  PRO   5          3HB       PRO   5  10.312   1.772   8.472
   19    HG2  PRO   5          2HG       PRO   5   8.792   3.767   6.838
   20    HG3  PRO   5          3HG       PRO   5  10.512   3.342   6.769
   21    HD2  PRO   5          2HD       PRO   5   8.701   2.377   5.003
   22    HD3  PRO   5          3HD       PRO   5  10.123   1.446   5.517
   23    H    ILE   6           H        ILE   6   6.516   2.354   6.584
   24    HA   ILE   6           HA       ILE   6   4.705   2.758   8.875
   25    HB   ILE   6           HB       ILE   6   3.757   4.649   7.410
   26   HG12  ILE   6          2HG1      ILE   6   6.462   4.234   6.122
   27   HG13  ILE   6          3HG1      ILE   6   4.889   4.135   5.337
   28   HG21  ILE   6          1HG2      ILE   6   5.104   4.871   9.520
   29   HG22  ILE   6          2HG2      ILE   6   6.529   5.072   8.502
   30   HG23  ILE   6          3HG2      ILE   6   5.211   6.239   8.412
   31   HD11  ILE   6          1HD1      ILE   6   6.516   6.481   6.033
   32   HD12  ILE   6          2HD1      ILE   6   5.398   6.223   4.693
   33   HD13  ILE   6          3HD1      ILE   6   4.779   6.643   6.290
   34    H    ILE   7           H        ILE   7   2.437   2.623   8.463
   35    HA   ILE   7           HA       ILE   7   1.809   0.681   6.374
   36    HB   ILE   7           HB       ILE   7   0.153   1.657   8.704
   37   HG12  ILE   7          2HG1      ILE   7   1.136  -1.145   8.409
   38   HG13  ILE   7          3HG1      ILE   7   2.284   0.085   8.926
   39   HG21  ILE   7          1HG2      ILE   7  -1.280   1.018   6.862
   40   HG22  ILE   7          2HG2      ILE   7  -0.410  -0.505   6.680
   41   HG23  ILE   7          3HG2      ILE   7  -1.361  -0.202   8.134
   42   HD11  ILE   7          1HD1      ILE   7   1.517  -0.675  10.936
   43   HD12  ILE   7          2HD1      ILE   7   0.405   0.664  10.653
   44   HD13  ILE   7          3HD1      ILE   7  -0.106  -0.991  10.325
   45    H    GLU   8           H        GLU   8   0.344   1.018   4.753
   46    HA   GLU   8           HA       GLU   8  -0.132   3.736   3.985
   47    HB2  GLU   8          2HB       GLU   8  -1.014   1.112   2.774
   48    HB3  GLU   8          3HB       GLU   8  -1.339   2.681   2.051
   49    HG2  GLU   8          2HG       GLU   8   1.098   3.090   1.947
   50    HG3  GLU   8          3HG       GLU   8   1.363   1.457   2.554
   51    H    PHE   9           H        PHE   9  -1.590   4.838   5.155
   52    HA   PHE   9           HA       PHE   9  -4.184   3.568   5.707
   53    HB2  PHE   9          2HB       PHE   9  -4.418   5.567   7.317
   54    HB3  PHE   9          3HB       PHE   9  -3.298   4.282   7.759
   55    HD1  PHE   9           HD1      PHE   9  -3.548   7.703   6.412
   56    HD2  PHE   9           HD2      PHE   9  -0.980   4.693   7.980
   57    HE1  PHE   9           HE1      PHE   9  -1.739   9.359   6.618
   58    HE2  PHE   9           HE2      PHE   9   0.833   6.344   8.190
   59    HZ   PHE   9           HZ       PHE   9   0.454   8.680   7.509
   60    H    PHE  10           H        PHE  10  -3.749   4.448   3.123
   61    HA   PHE  10           HA       PHE  10  -5.562   6.763   2.988
   62    HB2  PHE  10          2HB       PHE  10  -4.345   7.316   0.801
   63    HB3  PHE  10          3HB       PHE  10  -3.500   7.677   2.303
   64    HD1  PHE  10           HD1      PHE  10  -1.581   6.358   3.000
   65    HD2  PHE  10           HD2      PHE  10  -3.577   5.588  -0.680
   66    HE1  PHE  10           HE1      PHE  10   0.336   5.012   2.245
   67    HE2  PHE  10           HE2      PHE  10  -1.664   4.241  -1.440
   68    HZ   PHE  10           HZ       PHE  10   0.296   3.951   0.024
   69    H    ASN  11           H        ASN  11  -5.967   3.810   2.854
   70    HA   ASN  11           HA       ASN  11  -7.084   2.249   1.622
   71    HB2  ASN  11          2HB       ASN  11  -8.702   4.300   1.877
   72    HB3  ASN  11          3HB       ASN  11  -8.446   4.472   0.143
   73   HD21  ASN  11          1HD2      ASN  11 -10.338   3.837  -0.671
   74   HD22  ASN  11          2HD2      ASN  11 -11.066   2.294  -0.400
   75    HA   PRO  12           HA       PRO  12  -4.330   2.957  -2.088
   76    HB2  PRO  12          2HB       PRO  12  -2.823   0.729  -1.718
   77    HB3  PRO  12          3HB       PRO  12  -2.439   2.284  -0.969
   78    HG2  PRO  12          2HG       PRO  12  -3.824  -0.095   0.208
   79    HG3  PRO  12          3HG       PRO  12  -2.580   0.945   0.927
   80    HD2  PRO  12          2HD       PRO  12  -5.211   1.204   1.511
   81    HD3  PRO  12          3HD       PRO  12  -4.097   2.587   1.487
   82    H    ASN  13           H        ASN  13  -5.416  -0.212  -0.847
   83    HA   ASN  13           HA       ASN  13  -7.240  -0.737  -2.881
   84    HB2  ASN  13          2HB       ASN  13  -5.548  -0.851  -4.513
   85    HB3  ASN  13          3HB       ASN  13  -4.441  -1.693  -3.433
   86   HD21  ASN  13          1HD2      ASN  13  -4.069  -3.592  -4.335
   87   HD22  ASN  13          2HD2      ASN  13  -5.275  -4.697  -4.892
   88    H    GLY  14           H        GLY  14  -4.679  -2.389  -1.032
   89    HA2  GLY  14          2HA       GLY  14  -6.762  -4.225  -0.020
   90    HA3  GLY  14          3HA       GLY  14  -5.136  -4.766  -0.410
   91    H    VAL  15           H        VAL  15  -3.418  -4.237   0.969
   92    HA   VAL  15           HA       VAL  15  -3.572  -2.564   3.204
   93    HB   VAL  15           HB       VAL  15  -5.205  -4.017   4.157
   94   HG11  VAL  15          1HG1      VAL  15  -3.754  -6.048   2.770
   95   HG12  VAL  15          2HG1      VAL  15  -3.892  -6.494   4.472
   96   HG13  VAL  15          3HG1      VAL  15  -5.342  -6.142   3.530
   97   HG21  VAL  15          1HG2      VAL  15  -3.361  -3.211   5.629
   98   HG22  VAL  15          2HG2      VAL  15  -4.135  -4.691   6.195
   99   HG23  VAL  15          3HG2      VAL  15  -2.563  -4.767   5.401
  100    H    MET  16           H        MET  16  -1.480  -2.031   3.072
  101    HA   MET  16           HA       MET  16   0.509  -3.965   3.823
  102    HB2  MET  16          2HB       MET  16   0.095  -3.315   1.025
  103    HB3  MET  16          3HB       MET  16   1.719  -2.891   1.550
  104    HG2  MET  16          2HG       MET  16   2.195  -5.112   2.195
  105    HG3  MET  16          3HG       MET  16   0.504  -5.588   2.055
  106    HE1  MET  16          1HE       MET  16   0.382  -7.480  -0.515
  107    HE2  MET  16          2HE       MET  16  -0.577  -6.358   0.450
  108    HE3  MET  16          3HE       MET  16  -0.386  -6.091  -1.283
  109    H    HIS  17           H        HIS  17   2.808  -2.746   3.379
  110    HA   HIS  17           HA       HIS  17   2.485  -0.161   4.731
  111    HB2  HIS  17          2HB       HIS  17   4.850  -2.037   4.558
  112    HB3  HIS  17          3HB       HIS  17   4.896  -0.461   5.343
  113    HD1  HIS  17           HD1      HIS  17   2.812  -3.640   5.613
  114    HD2  HIS  17           HD2      HIS  17   4.400  -0.624   7.989
  115    HE1  HIS  17           HE1      HIS  17   2.220  -4.264   7.977
  116    H    TYR  18           H        TYR  18   4.737   1.154   4.258
  117    HA   TYR  18           HA       TYR  18   5.617   1.147   1.559
  118    HB2  TYR  18          2HB       TYR  18   4.510   3.022   0.657
  119    HB3  TYR  18          3HB       TYR  18   3.233   2.075   1.413
  120    HD1  TYR  18           HD1      TYR  18   4.578   5.293   1.072
  121    HD2  TYR  18           HD2      TYR  18   2.724   2.741   3.928
  122    HE1  TYR  18           HE1      TYR  18   3.903   7.261   2.383
  123    HE2  TYR  18           HE2      TYR  18   2.044   4.703   5.247
  124    HH   TYR  18           HH       TYR  18   1.675   7.478   4.361
  125    H    GLY  19           H        GLY  19   6.880   3.216   1.066
  126    HA2  GLY  19          2HA       GLY  19   8.044   5.136   1.955
  127    HA3  GLY  19          3HA       GLY  19   7.957   4.392   3.544
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1   1.999   0.307   0.675
    2    HA2  GLY   1          2HA       GLY   1   1.920   0.763  -2.244
    3    HA3  GLY   1          3HA       GLY   1   3.270   1.221  -1.217
    4    H    SER   2           H        SER   2   3.863  -0.911   0.235
    5    HA   SER   2           HA       SER   2   3.840  -3.352  -1.269
    6    HB2  SER   2          2HB       SER   2   5.558  -2.356  -2.575
    7    HB3  SER   2          3HB       SER   2   6.350  -1.679  -1.153
    8    HG   SER   2           HG       SER   2   6.229  -4.382  -1.976
    9    H    ASP   3           H        ASP   3   6.318  -1.990   0.880
   10    HA   ASP   3           HA       ASP   3   5.324  -3.234   3.232
   11    HB2  ASP   3          2HB       ASP   3   6.168  -5.222   1.931
   12    HB3  ASP   3          3HB       ASP   3   7.785  -4.532   2.053
   13    H    GLY   4           H        GLY   4   5.827  -0.789   3.330
   14    HA2  GLY   4          2HA       GLY   4   8.648  -0.250   3.891
   15    HA3  GLY   4          3HA       GLY   4   7.369   0.948   3.761
   16    HA   PRO   5           HA       PRO   5   8.423   0.171   8.257
   17    HB2  PRO   5          2HB       PRO   5   9.014   2.752   8.854
   18    HB3  PRO   5          3HB       PRO   5  10.216   1.607   8.249
   19    HG2  PRO   5          2HG       PRO   5   8.690   3.712   6.765
   20    HG3  PRO   5          3HG       PRO   5  10.406   3.279   6.644
   21    HD2  PRO   5          2HD       PRO   5   8.562   2.440   4.847
   22    HD3  PRO   5          3HD       PRO   5   9.982   1.468   5.282
   23    H    ILE   6           H        ILE   6   6.428   2.392   6.472
   24    HA   ILE   6           HA       ILE   6   4.659   2.681   8.811
   25    HB   ILE   6           HB       ILE   6   3.678   4.624   7.465
   26   HG12  ILE   6          2HG1      ILE   6   6.294   4.223   6.003
   27   HG13  ILE   6          3HG1      ILE   6   4.676   4.158   5.313
   28   HG21  ILE   6          1HG2      ILE   6   6.485   5.245   8.229
   29   HG22  ILE   6          2HG2      ILE   6   4.992   6.096   8.622
   30   HG23  ILE   6          3HG2      ILE   6   5.398   4.597   9.457
   31   HD11  ILE   6          1HD1      ILE   6   6.408   6.418   5.743
   32   HD12  ILE   6          2HD1      ILE   6   4.940   6.287   4.773
   33   HD13  ILE   6          3HD1      ILE   6   4.831   6.663   6.493
   34    H    ILE   7           H        ILE   7   2.403   2.483   8.504
   35    HA   ILE   7           HA       ILE   7   1.698   0.574   6.438
   36    HB   ILE   7           HB       ILE   7   0.046   1.717   8.694
   37   HG12  ILE   7          2HG1      ILE   7   1.020  -1.112   8.517
   38   HG13  ILE   7          3HG1      ILE   7   2.106   0.144   9.101
   39   HG21  ILE   7          1HG2      ILE   7  -0.554  -0.537   6.784
   40   HG22  ILE   7          2HG2      ILE   7  -1.520  -0.113   8.197
   41   HG23  ILE   7          3HG2      ILE   7  -1.373   1.023   6.856
   42   HD11  ILE   7          1HD1      ILE   7  -0.307  -1.017  10.355
   43   HD12  ILE   7          2HD1      ILE   7   1.226  -0.524  11.075
   44   HD13  ILE   7          3HD1      ILE   7   0.023   0.691  10.644
   45    H    GLU   8           H        GLU   8   0.126   0.860   4.866
   46    HA   GLU   8           HA       GLU   8  -0.185   3.562   3.926
   47    HB2  GLU   8          2HB       GLU   8  -1.042   0.873   2.880
   48    HB3  GLU   8          3HB       GLU   8  -1.568   2.366   2.115
   49    HG2  GLU   8          2HG       GLU   8   0.819   2.990   1.827
   50    HG3  GLU   8          3HG       GLU   8   1.261   1.400   2.447
   51    H    PHE   9           H        PHE   9  -1.585   4.795   5.033
   52    HA   PHE   9           HA       PHE   9  -4.218   3.673   5.701
   53    HB2  PHE   9          2HB       PHE   9  -4.354   5.826   7.125
   54    HB3  PHE   9          3HB       PHE   9  -3.295   4.532   7.675
   55    HD1  PHE   9           HD1      PHE   9  -3.442   7.885   6.212
   56    HD2  PHE   9           HD2      PHE   9  -0.905   4.791   7.666
   57    HE1  PHE   9           HE1      PHE   9  -1.553   9.461   6.262
   58    HE2  PHE   9           HE2      PHE   9   0.987   6.363   7.719
   59    HZ   PHE   9           HZ       PHE   9   0.664   8.701   7.017
   60    H    PHE  10           H        PHE  10  -4.035   4.174   3.091
   61    HA   PHE  10           HA       PHE  10  -5.854   6.415   2.749
   62    HB2  PHE  10          2HB       PHE  10  -4.523   7.177   0.715
   63    HB3  PHE  10          3HB       PHE  10  -3.836   7.569   2.289
   64    HD1  PHE  10           HD1      PHE  10  -1.806   6.528   3.056
   65    HD2  PHE  10           HD2      PHE  10  -3.500   5.505  -0.712
   66    HE1  PHE  10           HE1      PHE  10   0.297   5.423   2.415
   67    HE2  PHE  10           HE2      PHE  10  -1.400   4.398  -1.359
   68    HZ   PHE  10           HZ       PHE  10   0.501   4.355   0.206
   69    H    ASN  11           H        ASN  11  -6.379   3.687   2.670
   70    HA   ASN  11           HA       ASN  11  -7.301   2.036   1.397
   71    HB2  ASN  11          2HB       ASN  11  -7.943   4.260  -0.544
   72    HB3  ASN  11          3HB       ASN  11  -8.823   2.752  -0.313
   73   HD21  ASN  11          1HD2      ASN  11  -9.604   2.435   2.002
   74   HD22  ASN  11          2HD2      ASN  11 -10.333   3.812   2.748
   75    HA   PRO  12           HA       PRO  12  -3.576   1.988  -1.438
   76    HB2  PRO  12          2HB       PRO  12  -2.422  -0.200  -0.320
   77    HB3  PRO  12          3HB       PRO  12  -2.122   1.444   0.255
   78    HG2  PRO  12          2HG       PRO  12  -3.971  -0.639   1.352
   79    HG3  PRO  12          3HG       PRO  12  -2.883   0.460   2.220
   80    HD2  PRO  12          2HD       PRO  12  -5.542   0.920   1.996
   81    HD3  PRO  12          3HD       PRO  12  -4.349   2.232   2.071
   82    H    ASN  13           H        ASN  13  -6.123  -0.104  -0.511
   83    HA   ASN  13           HA       ASN  13  -7.249  -1.754  -1.600
   84    HB2  ASN  13          2HB       ASN  13  -6.864  -0.075  -3.526
   85    HB3  ASN  13          3HB       ASN  13  -5.616  -1.195  -4.065
   86   HD21  ASN  13          1HD2      ASN  13  -8.603  -0.315  -4.712
   87   HD22  ASN  13          2HD2      ASN  13  -9.297  -1.815  -5.216
   88    H    GLY  14           H        GLY  14  -5.729  -2.980  -0.058
   89    HA2  GLY  14          2HA       GLY  14  -5.090  -5.427  -0.944
   90    HA3  GLY  14          3HA       GLY  14  -3.652  -4.517  -1.382
   91    H    VAL  15           H        VAL  15  -4.254  -2.803   1.102
   92    HA   VAL  15           HA       VAL  15  -3.587  -2.706   3.278
   93    HB   VAL  15           HB       VAL  15  -3.915  -5.704   3.361
   94   HG11  VAL  15          1HG1      VAL  15  -2.815  -4.921   5.309
   95   HG12  VAL  15          2HG1      VAL  15  -3.909  -3.545   5.459
   96   HG13  VAL  15          3HG1      VAL  15  -4.500  -5.180   5.757
   97   HG21  VAL  15          1HG2      VAL  15  -5.986  -5.008   2.555
   98   HG22  VAL  15          2HG2      VAL  15  -6.222  -5.049   4.302
   99   HG23  VAL  15          3HG2      VAL  15  -5.953  -3.509   3.485
  100    H    MET  16           H        MET  16  -1.480  -2.095   2.552
  101    HA   MET  16           HA       MET  16   0.564  -3.929   3.453
  102    HB2  MET  16          2HB       MET  16   0.350  -3.048   0.584
  103    HB3  MET  16          3HB       MET  16   1.895  -3.498   1.293
  104    HG2  MET  16          2HG       MET  16   0.689  -5.674   1.972
  105    HG3  MET  16          3HG       MET  16  -0.502  -5.199   0.764
  106    HE1  MET  16          1HE       MET  16   2.454  -7.825   0.636
  107    HE2  MET  16          2HE       MET  16   3.720  -6.626   0.376
  108    HE3  MET  16          3HE       MET  16   2.651  -6.490   1.772
  109    H    HIS  17           H        HIS  17   2.530  -2.906   3.953
  110    HA   HIS  17           HA       HIS  17   2.303  -0.191   4.730
  111    HB2  HIS  17          2HB       HIS  17   4.707  -2.020   4.599
  112    HB3  HIS  17          3HB       HIS  17   4.720  -0.420   5.335
  113    HD1  HIS  17           HD1      HIS  17   2.678  -3.617   5.715
  114    HD2  HIS  17           HD2      HIS  17   4.283  -0.534   7.992
  115    HE1  HIS  17           HE1      HIS  17   2.128  -4.187   8.102
  116    H    TYR  18           H        TYR  18   4.566   1.115   4.185
  117    HA   TYR  18           HA       TYR  18   5.447   1.038   1.506
  118    HB2  TYR  18          2HB       TYR  18   4.250   2.760   0.461
  119    HB3  TYR  18          3HB       TYR  18   3.005   1.846   1.307
  120    HD1  TYR  18           HD1      TYR  18   2.641   2.726   3.840
  121    HD2  TYR  18           HD2      TYR  18   4.098   5.051   0.589
  122    HE1  TYR  18           HE1      TYR  18   1.909   4.775   4.986
  123    HE2  TYR  18           HE2      TYR  18   3.371   7.107   1.726
  124    HH   TYR  18           HH       TYR  18   2.085   7.919   3.419
  125    H    GLY  19           H        GLY  19   6.574   3.181   0.912
  126    HA2  GLY  19          2HA       GLY  19   8.344   3.827   3.054
  127    HA3  GLY  19          3HA       GLY  19   8.346   4.549   1.452
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1   1.953   0.422   0.605
    2    HA2  GLY   1          2HA       GLY   1   1.644   0.830  -2.302
    3    HA3  GLY   1          3HA       GLY   1   3.048   1.328  -1.370
    4    H    SER   2           H        SER   2   3.625  -0.906   0.089
    5    HA   SER   2           HA       SER   2   3.655  -3.277  -1.500
    6    HB2  SER   2          2HB       SER   2   5.322  -2.207  -2.817
    7    HB3  SER   2          3HB       SER   2   6.137  -1.562  -1.393
    8    HG   SER   2           HG       SER   2   7.042  -3.526  -2.469
    9    H    ASP   3           H        ASP   3   6.181  -1.953   0.611
   10    HA   ASP   3           HA       ASP   3   5.264  -3.259   2.961
   11    HB2  ASP   3          2HB       ASP   3   5.997  -5.260   1.747
   12    HB3  ASP   3          3HB       ASP   3   7.591  -4.547   1.518
   13    H    GLY   4           H        GLY   4   5.757  -0.828   3.135
   14    HA2  GLY   4          2HA       GLY   4   8.595  -0.285   3.603
   15    HA3  GLY   4          3HA       GLY   4   7.305   0.908   3.559
   16    HA   PRO   5           HA       PRO   5   8.532  -0.021   7.986
   17    HB2  PRO   5          2HB       PRO   5   9.164   2.536   8.644
   18    HB3  PRO   5          3HB       PRO   5  10.335   1.403   7.957
   19    HG2  PRO   5          2HG       PRO   5   8.771   3.566   6.601
   20    HG3  PRO   5          3HG       PRO   5  10.477   3.126   6.403
   21    HD2  PRO   5          2HD       PRO   5   8.562   2.359   4.650
   22    HD3  PRO   5          3HD       PRO   5   9.990   1.365   4.999
   23    H    ILE   6           H        ILE   6   6.476   2.246   6.342
   24    HA   ILE   6           HA       ILE   6   4.807   2.487   8.759
   25    HB   ILE   6           HB       ILE   6   3.773   4.456   7.465
   26   HG12  ILE   6          2HG1      ILE   6   6.382   4.112   5.974
   27   HG13  ILE   6          3HG1      ILE   6   4.760   4.034   5.294
   28   HG21  ILE   6          1HG2      ILE   6   6.570   5.119   8.192
   29   HG22  ILE   6          2HG2      ILE   6   5.060   5.882   8.685
   30   HG23  ILE   6          3HG2      ILE   6   5.562   4.362   9.425
   31   HD11  ILE   6          1HD1      ILE   6   6.460   6.307   5.719
   32   HD12  ILE   6          2HD1      ILE   6   4.954   6.182   4.809
   33   HD13  ILE   6          3HD1      ILE   6   4.914   6.522   6.539
   34    H    ILE   7           H        ILE   7   2.504   2.423   8.479
   35    HA   ILE   7           HA       ILE   7   1.717   0.517   6.426
   36    HB   ILE   7           HB       ILE   7   0.172   1.629   8.772
   37   HG12  ILE   7          2HG1      ILE   7   1.065  -1.216   8.481
   38   HG13  ILE   7          3HG1      ILE   7   2.216  -0.005   9.035
   39   HG21  ILE   7          1HG2      ILE   7  -0.552  -0.530   6.796
   40   HG22  ILE   7          2HG2      ILE   7  -1.434  -0.189   8.284
   41   HG23  ILE   7          3HG2      ILE   7  -1.355   1.026   7.008
   42   HD11  ILE   7          1HD1      ILE   7   1.423  -0.680  11.039
   43   HD12  ILE   7          2HD1      ILE   7   0.217   0.559  10.690
   44   HD13  ILE   7          3HD1      ILE   7  -0.151  -1.139  10.389
   45    H    GLU   8           H        GLU   8   0.113   0.856   4.905
   46    HA   GLU   8           HA       GLU   8  -0.219   3.585   4.052
   47    HB2  GLU   8          2HB       GLU   8  -1.157   0.944   2.943
   48    HB3  GLU   8          3HB       GLU   8  -1.603   2.481   2.217
   49    HG2  GLU   8          2HG       GLU   8   0.796   2.994   1.922
   50    HG3  GLU   8          3HG       GLU   8   1.182   1.391   2.546
   51    H    PHE   9           H        PHE   9  -1.601   4.790   5.207
   52    HA   PHE   9           HA       PHE   9  -4.195   3.636   5.957
   53    HB2  PHE   9          2HB       PHE   9  -4.317   5.814   7.353
   54    HB3  PHE   9          3HB       PHE   9  -3.230   4.536   7.887
   55    HD1  PHE   9           HD1      PHE   9  -0.835   4.800   7.754
   56    HD2  PHE   9           HD2      PHE   9  -3.459   7.880   6.434
   57    HE1  PHE   9           HE1      PHE   9   1.046   6.387   7.729
   58    HE2  PHE   9           HE2      PHE   9  -1.583   9.471   6.406
   59    HZ   PHE   9           HZ       PHE   9   0.673   8.725   7.053
   60    H    PHE  10           H        PHE  10  -4.265   4.032   3.385
   61    HA   PHE  10           HA       PHE  10  -6.115   6.225   3.065
   62    HB2  PHE  10          2HB       PHE  10  -4.897   7.123   1.053
   63    HB3  PHE  10          3HB       PHE  10  -4.108   7.444   2.594
   64    HD1  PHE  10           HD1      PHE  10  -3.944   5.573  -0.541
   65    HD2  PHE  10           HD2      PHE  10  -2.020   6.381   3.169
   66    HE1  PHE  10           HE1      PHE  10  -1.878   4.544  -1.392
   67    HE2  PHE  10           HE2      PHE  10   0.050   5.354   2.323
   68    HZ   PHE  10           HZ       PHE  10   0.123   4.435   0.039
   69    H    ASN  11           H        ASN  11  -6.124   3.302   2.916
   70    HA   ASN  11           HA       ASN  11  -6.896   1.598   1.613
   71    HB2  ASN  11          2HB       ASN  11  -8.305   3.981   0.412
   72    HB3  ASN  11          3HB       ASN  11  -8.642   2.330  -0.098
   73   HD21  ASN  11          1HD2      ASN  11  -8.917   0.828   1.928
   74   HD22  ASN  11          2HD2      ASN  11 -10.039   1.422   3.099
   75    HA   PRO  12           HA       PRO  12  -3.715   2.397  -1.677
   76    HB2  PRO  12          2HB       PRO  12  -2.246   0.182  -1.123
   77    HB3  PRO  12          3HB       PRO  12  -2.006   1.726  -0.295
   78    HG2  PRO  12          2HG       PRO  12  -3.515  -0.696   0.611
   79    HG3  PRO  12          3HG       PRO  12  -2.413   0.345   1.531
   80    HD2  PRO  12          2HD       PRO  12  -5.106   0.557   1.710
   81    HD3  PRO  12          3HD       PRO  12  -4.025   1.954   1.884
   82    H    ASN  13           H        ASN  13  -4.916  -0.815  -0.679
   83    HA   ASN  13           HA       ASN  13  -6.408  -1.324  -2.971
   84    HB2  ASN  13          2HB       ASN  13  -3.684  -1.437  -3.555
   85    HB3  ASN  13          3HB       ASN  13  -4.158  -3.123  -3.364
   86   HD21  ASN  13          1HD2      ASN  13  -5.112  -0.123  -4.973
   87   HD22  ASN  13          2HD2      ASN  13  -5.736  -0.879  -6.396
   88    H    GLY  14           H        GLY  14  -4.036  -3.137  -1.007
   89    HA2  GLY  14          2HA       GLY  14  -6.272  -4.814  -0.063
   90    HA3  GLY  14          3HA       GLY  14  -4.771  -5.543  -0.614
   91    H    VAL  15           H        VAL  15  -4.714  -2.547   1.140
   92    HA   VAL  15           HA       VAL  15  -3.939  -1.974   3.203
   93    HB   VAL  15           HB       VAL  15  -4.597  -4.792   4.062
   94   HG11  VAL  15          1HG1      VAL  15  -3.893  -2.269   5.446
   95   HG12  VAL  15          2HG1      VAL  15  -5.136  -3.278   6.189
   96   HG13  VAL  15          3HG1      VAL  15  -3.531  -3.940   5.878
   97   HG21  VAL  15          1HG2      VAL  15  -6.662  -3.104   4.860
   98   HG22  VAL  15          2HG2      VAL  15  -6.349  -2.670   3.180
   99   HG23  VAL  15          3HG2      VAL  15  -6.729  -4.339   3.604
  100    H    MET  16           H        MET  16  -1.798  -1.652   2.907
  101    HA   MET  16           HA       MET  16   0.000  -3.714   3.839
  102    HB2  MET  16          2HB       MET  16   0.032  -2.724   0.998
  103    HB3  MET  16          3HB       MET  16   1.483  -3.353   1.768
  104    HG2  MET  16          2HG       MET  16   0.099  -5.431   2.283
  105    HG3  MET  16          3HG       MET  16  -1.065  -4.791   1.124
  106    HE1  MET  16          1HE       MET  16   2.241  -6.286   1.892
  107    HE2  MET  16          2HE       MET  16   1.371  -7.601   1.102
  108    HE3  MET  16          3HE       MET  16   2.823  -6.931   0.356
  109    H    HIS  17           H        HIS  17   2.402  -2.729   3.364
  110    HA   HIS  17           HA       HIS  17   2.326  -0.115   4.675
  111    HB2  HIS  17          2HB       HIS  17   4.564  -2.120   4.333
  112    HB3  HIS  17          3HB       HIS  17   4.743  -0.563   5.137
  113    HD1  HIS  17           HD1      HIS  17   2.593  -3.684   5.491
  114    HD2  HIS  17           HD2      HIS  17   4.313  -0.691   7.803
  115    HE1  HIS  17           HE1      HIS  17   2.089  -4.303   7.876
  116    H    TYR  18           H        TYR  18   4.482   1.186   4.078
  117    HA   TYR  18           HA       TYR  18   5.330   1.119   1.374
  118    HB2  TYR  18          2HB       TYR  18   4.170   2.931   0.417
  119    HB3  TYR  18          3HB       TYR  18   2.921   1.988   1.222
  120    HD1  TYR  18           HD1      TYR  18   3.978   5.211   0.629
  121    HD2  TYR  18           HD2      TYR  18   2.645   2.746   3.830
  122    HE1  TYR  18           HE1      TYR  18   3.278   7.214   1.873
  123    HE2  TYR  18           HE2      TYR  18   1.940   4.742   5.082
  124    HH   TYR  18           HH       TYR  18   1.597   7.752   3.701
  125    H    GLY  19           H        GLY  19   6.458   3.293   0.805
  126    HA2  GLY  19          2HA       GLY  19   7.943   4.107   3.214
  127    HA3  GLY  19          3HA       GLY  19   8.565   4.162   1.572
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1   1.781  -0.000   0.774
    2    HA2  GLY   1          2HA       GLY   1   0.492  -2.058   0.464
    3    HA3  GLY   1          3HA       GLY   1   0.183  -1.531  -1.184
    4    H    SER   2           H        SER   2   2.970  -2.156   0.953
    5    HA   SER   2           HA       SER   2   4.075  -4.006  -0.968
    6    HB2  SER   2          2HB       SER   2   5.105  -1.242  -0.679
    7    HB3  SER   2          3HB       SER   2   6.319  -2.522  -0.699
    8    HG   SER   2           HG       SER   2   4.291  -2.565  -2.627
    9    H    ASP   3           H        ASP   3   5.829  -2.042   1.383
   10    HA   ASP   3           HA       ASP   3   5.630  -3.616   3.637
   11    HB2  ASP   3          2HB       ASP   3   7.941  -4.801   3.397
   12    HB3  ASP   3          3HB       ASP   3   6.514  -5.538   2.674
   13    H    GLY   4           H        GLY   4   5.877  -0.948   3.222
   14    HA2  GLY   4          2HA       GLY   4   8.621  -0.125   3.682
   15    HA3  GLY   4          3HA       GLY   4   7.218   0.927   3.575
   16    HA   PRO   5           HA       PRO   5   8.644   0.466   8.029
   17    HB2  PRO   5          2HB       PRO   5   9.168   3.097   8.446
   18    HB3  PRO   5          3HB       PRO   5  10.375   1.964   7.827
   19    HG2  PRO   5          2HG       PRO   5   8.677   3.925   6.333
   20    HG3  PRO   5          3HG       PRO   5  10.397   3.549   6.126
   21    HD2  PRO   5          2HD       PRO   5   8.479   2.544   4.500
   22    HD3  PRO   5          3HD       PRO   5   9.962   1.650   4.893
   23    H    ILE   6           H        ILE   6   6.447   2.493   6.256
   24    HA   ILE   6           HA       ILE   6   4.805   2.821   8.682
   25    HB   ILE   6           HB       ILE   6   3.701   4.704   7.349
   26   HG12  ILE   6          2HG1      ILE   6   6.243   4.337   5.753
   27   HG13  ILE   6          3HG1      ILE   6   4.591   4.215   5.156
   28   HG21  ILE   6          1HG2      ILE   6   6.574   5.185   8.101
   29   HG22  ILE   6          2HG2      ILE   6   5.223   6.314   8.192
   30   HG23  ILE   6          3HG2      ILE   6   5.294   4.934   9.288
   31   HD11  ILE   6          1HD1      ILE   6   6.283   6.522   5.410
   32   HD12  ILE   6          2HD1      ILE   6   4.743   6.341   4.570
   33   HD13  ILE   6          3HD1      ILE   6   4.770   6.754   6.284
   34    H    ILE   7           H        ILE   7   2.525   2.606   8.465
   35    HA   ILE   7           HA       ILE   7   1.779   0.611   6.489
   36    HB   ILE   7           HB       ILE   7   0.222   1.756   8.810
   37   HG12  ILE   7          2HG1      ILE   7   1.272  -1.049   8.592
   38   HG13  ILE   7          3HG1      ILE   7   2.320   0.248   9.158
   39   HG21  ILE   7          1HG2      ILE   7  -1.330  -0.119   8.421
   40   HG22  ILE   7          2HG2      ILE   7  -1.289   1.016   7.073
   41   HG23  ILE   7          3HG2      ILE   7  -0.441  -0.525   6.953
   42   HD11  ILE   7          1HD1      ILE   7   1.524  -0.469  11.149
   43   HD12  ILE   7          2HD1      ILE   7   0.254   0.691  10.759
   44   HD13  ILE   7          3HD1      ILE   7  -0.002  -1.029  10.467
   45    H    GLU   8           H        GLU   8   0.218   0.845   4.930
   46    HA   GLU   8           HA       GLU   8  -0.237   3.502   3.967
   47    HB2  GLU   8          2HB       GLU   8  -1.151   0.784   3.040
   48    HB3  GLU   8          3HB       GLU   8  -1.660   2.266   2.243
   49    HG2  GLU   8          2HG       GLU   8   0.730   2.816   1.864
   50    HG3  GLU   8          3HG       GLU   8   1.153   1.238   2.527
   51    H    PHE   9           H        PHE   9  -1.583   4.731   5.153
   52    HA   PHE   9           HA       PHE   9  -4.195   3.600   5.899
   53    HB2  PHE   9          2HB       PHE   9  -4.270   5.651   7.442
   54    HB3  PHE   9          3HB       PHE   9  -3.155   4.357   7.871
   55    HD1  PHE   9           HD1      PHE   9  -0.839   4.741   8.015
   56    HD2  PHE   9           HD2      PHE   9  -3.387   7.709   6.336
   57    HE1  PHE   9           HE1      PHE   9   1.018   6.354   8.056
   58    HE2  PHE   9           HE2      PHE   9  -1.533   9.326   6.373
   59    HZ   PHE   9           HZ       PHE   9   0.673   8.649   7.233
   60    H    PHE  10           H        PHE  10  -3.686   4.460   3.248
   61    HA   PHE  10           HA       PHE  10  -5.447   6.818   3.102
   62    HB2  PHE  10          2HB       PHE  10  -4.305   7.253   0.866
   63    HB3  PHE  10          3HB       PHE  10  -3.344   7.565   2.307
   64    HD1  PHE  10           HD1      PHE  10  -3.966   5.056  -0.349
   65    HD2  PHE  10           HD2      PHE  10  -1.285   6.513   2.619
   66    HE1  PHE  10           HE1      PHE  10  -2.210   3.560  -1.205
   67    HE2  PHE  10           HE2      PHE  10   0.475   5.021   1.767
   68    HZ   PHE  10           HZ       PHE  10   0.014   3.542  -0.148
   69    H    ASN  11           H        ASN  11  -6.131   3.967   3.155
   70    HA   ASN  11           HA       ASN  11  -7.431   2.443   2.070
   71    HB2  ASN  11          2HB       ASN  11  -8.398   5.094   1.075
   72    HB3  ASN  11          3HB       ASN  11  -9.058   3.625   0.363
   73   HD21  ASN  11          1HD2      ASN  11 -11.067   4.452   1.268
   74   HD22  ASN  11          2HD2      ASN  11 -11.449   4.096   2.915
   75    HA   PRO  12           HA       PRO  12  -4.577   2.463  -1.637
   76    HB2  PRO  12          2HB       PRO  12  -3.310   0.147  -1.003
   77    HB3  PRO  12          3HB       PRO  12  -2.774   1.726  -0.418
   78    HG2  PRO  12          2HG       PRO  12  -4.405  -0.358   0.981
   79    HG3  PRO  12          3HG       PRO  12  -3.066   0.621   1.607
   80    HD2  PRO  12          2HD       PRO  12  -5.660   1.209   2.112
   81    HD3  PRO  12          3HD       PRO  12  -4.410   2.460   1.961
   82    H    ASN  13           H        ASN  13  -4.082   0.194  -2.908
   83    HA   ASN  13           HA       ASN  13  -6.700  -0.692  -3.729
   84    HB2  ASN  13          2HB       ASN  13  -3.924  -0.947  -4.763
   85    HB3  ASN  13          3HB       ASN  13  -5.071  -2.197  -5.235
   86   HD21  ASN  13          1HD2      ASN  13  -4.997  -1.535  -7.383
   87   HD22  ASN  13          2HD2      ASN  13  -5.782  -0.094  -7.923
   88    H    GLY  14           H        GLY  14  -4.143  -1.864  -1.722
   89    HA2  GLY  14          2HA       GLY  14  -5.622  -4.400  -1.399
   90    HA3  GLY  14          3HA       GLY  14  -3.866  -4.356  -1.443
   91    H    VAL  15           H        VAL  15  -2.805  -4.160   0.425
   92    HA   VAL  15           HA       VAL  15  -3.581  -2.626   2.624
   93    HB   VAL  15           HB       VAL  15  -5.407  -4.094   3.025
   94   HG11  VAL  15          1HG1      VAL  15  -5.323  -6.113   2.080
   95   HG12  VAL  15          2HG1      VAL  15  -3.558  -6.118   2.060
   96   HG13  VAL  15          3HG1      VAL  15  -4.427  -6.627   3.509
   97   HG21  VAL  15          1HG2      VAL  15  -3.637  -5.393   4.963
   98   HG22  VAL  15          2HG2      VAL  15  -3.455  -3.641   4.876
   99   HG23  VAL  15          3HG2      VAL  15  -5.033  -4.348   5.224
  100    H    MET  16           H        MET  16  -1.363  -2.173   2.513
  101    HA   MET  16           HA       MET  16   0.278  -3.930   4.088
  102    HB2  MET  16          2HB       MET  16   0.497  -3.913   1.179
  103    HB3  MET  16          3HB       MET  16   2.015  -3.510   1.971
  104    HG2  MET  16          2HG       MET  16   0.418  -5.906   2.790
  105    HG3  MET  16          3HG       MET  16   1.537  -5.962   1.430
  106    HE1  MET  16          1HE       MET  16   1.294  -7.182   4.802
  107    HE2  MET  16          2HE       MET  16   2.497  -6.363   5.797
  108    HE3  MET  16          3HE       MET  16   1.071  -5.488   5.239
  109    H    HIS  17           H        HIS  17   2.705  -2.931   3.883
  110    HA   HIS  17           HA       HIS  17   2.387  -0.215   4.814
  111    HB2  HIS  17          2HB       HIS  17   4.812  -2.009   4.607
  112    HB3  HIS  17          3HB       HIS  17   4.842  -0.386   5.291
  113    HD1  HIS  17           HD1      HIS  17   2.937  -3.632   5.884
  114    HD2  HIS  17           HD2      HIS  17   4.481  -0.385   7.966
  115    HE1  HIS  17           HE1      HIS  17   2.506  -4.124   8.312
  116    H    TYR  18           H        TYR  18   4.554   1.150   4.126
  117    HA   TYR  18           HA       TYR  18   5.333   1.019   1.418
  118    HB2  TYR  18          2HB       TYR  18   4.035   2.677   0.377
  119    HB3  TYR  18          3HB       TYR  18   2.862   1.723   1.278
  120    HD1  TYR  18           HD1      TYR  18   3.702   4.949   0.432
  121    HD2  TYR  18           HD2      TYR  18   2.619   2.646   3.842
  122    HE1  TYR  18           HE1      TYR  18   2.915   6.992   1.555
  123    HE2  TYR  18           HE2      TYR  18   1.828   4.682   4.973
  124    HH   TYR  18           HH       TYR  18   1.400   7.646   3.338
  125    H    GLY  19           H        GLY  19   6.283   3.250   0.714
  126    HA2  GLY  19          2HA       GLY  19   7.323   5.294   1.397
  127    HA3  GLY  19          3HA       GLY  19   7.324   4.700   3.051
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1   1.973   0.265   0.671
    2    HA2  GLY   1          2HA       GLY   1   1.812   0.663  -2.248
    3    HA3  GLY   1          3HA       GLY   1   3.126   1.232  -1.230
    4    H    SER   2           H        SER   2   3.442  -1.179   0.279
    5    HA   SER   2           HA       SER   2   3.779  -3.467  -1.290
    6    HB2  SER   2          2HB       SER   2   5.964  -1.472  -1.465
    7    HB3  SER   2          3HB       SER   2   6.460  -3.144  -1.204
    8    HG   SER   2           HG       SER   2   5.045  -3.639  -3.042
    9    H    ASP   3           H        ASP   3   6.204  -1.975   0.829
   10    HA   ASP   3           HA       ASP   3   5.327  -3.249   3.201
   11    HB2  ASP   3          2HB       ASP   3   6.326  -5.142   1.684
   12    HB3  ASP   3          3HB       ASP   3   7.872  -4.475   2.203
   13    H    GLY   4           H        GLY   4   5.774  -0.799   3.290
   14    HA2  GLY   4          2HA       GLY   4   8.597  -0.189   3.755
   15    HA3  GLY   4          3HA       GLY   4   7.285   0.977   3.668
   16    HA   PRO   5           HA       PRO   5   8.509   0.215   8.127
   17    HB2  PRO   5          2HB       PRO   5   9.084   2.804   8.707
   18    HB3  PRO   5          3HB       PRO   5  10.281   1.675   8.061
   19    HG2  PRO   5          2HG       PRO   5   8.678   3.760   6.630
   20    HG3  PRO   5          3HG       PRO   5  10.395   3.351   6.452
   21    HD2  PRO   5          2HD       PRO   5   8.504   2.488   4.717
   22    HD3  PRO   5          3HD       PRO   5   9.951   1.536   5.103
   23    H    ILE   6           H        ILE   6   6.415   2.388   6.405
   24    HA   ILE   6           HA       ILE   6   4.725   2.660   8.805
   25    HB   ILE   6           HB       ILE   6   3.667   4.581   7.469
   26   HG12  ILE   6          2HG1      ILE   6   6.276   4.240   5.977
   27   HG13  ILE   6          3HG1      ILE   6   4.653   4.127   5.305
   28   HG21  ILE   6          1HG2      ILE   6   5.099   6.141   8.471
   29   HG22  ILE   6          2HG2      ILE   6   5.243   4.697   9.472
   30   HG23  ILE   6          3HG2      ILE   6   6.505   5.088   8.304
   31   HD11  ILE   6          1HD1      ILE   6   4.772   6.643   6.488
   32   HD12  ILE   6          2HD1      ILE   6   6.325   6.430   5.679
   33   HD13  ILE   6          3HD1      ILE   6   4.826   6.263   4.767
   34    H    ILE   7           H        ILE   7   2.438   2.508   8.531
   35    HA   ILE   7           HA       ILE   7   1.698   0.547   6.521
   36    HB   ILE   7           HB       ILE   7   0.113   1.711   8.812
   37   HG12  ILE   7          2HG1      ILE   7   1.050  -1.129   8.611
   38   HG13  ILE   7          3HG1      ILE   7   2.170   0.116   9.154
   39   HG21  ILE   7          1HG2      ILE   7  -1.379   1.034   7.036
   40   HG22  ILE   7          2HG2      ILE   7  -0.567  -0.526   6.909
   41   HG23  ILE   7          3HG2      ILE   7  -1.477  -0.123   8.364
   42   HD11  ILE   7          1HD1      ILE   7   0.113   0.680  10.751
   43   HD12  ILE   7          2HD1      ILE   7  -0.181  -1.042  10.504
   44   HD13  ILE   7          3HD1      ILE   7   1.360  -0.496  11.164
   45    H    GLU   8           H        GLU   8   0.138   0.816   4.951
   46    HA   GLU   8           HA       GLU   8  -0.220   3.496   3.989
   47    HB2  GLU   8          2HB       GLU   8  -1.181   0.811   3.008
   48    HB3  GLU   8          3HB       GLU   8  -1.598   2.318   2.205
   49    HG2  GLU   8          2HG       GLU   8   0.799   2.778   1.881
   50    HG3  GLU   8          3HG       GLU   8   1.174   1.219   2.615
   51    H    PHE   9           H        PHE   9  -1.600   4.759   5.080
   52    HA   PHE   9           HA       PHE   9  -4.213   3.650   5.847
   53    HB2  PHE   9          2HB       PHE   9  -4.309   5.837   7.227
   54    HB3  PHE   9          3HB       PHE   9  -3.248   4.546   7.781
   55    HD1  PHE   9           HD1      PHE   9  -3.384   7.849   6.186
   56    HD2  PHE   9           HD2      PHE   9  -0.874   4.805   7.783
   57    HE1  PHE   9           HE1      PHE   9  -1.483   9.411   6.164
   58    HE2  PHE   9           HE2      PHE   9   1.031   6.362   7.764
   59    HZ   PHE   9           HZ       PHE   9   0.728   8.668   6.955
   60    H    PHE  10           H        PHE  10  -4.058   4.118   3.213
   61    HA   PHE  10           HA       PHE  10  -5.861   6.387   2.880
   62    HB2  PHE  10          2HB       PHE  10  -4.595   6.980   0.733
   63    HB3  PHE  10          3HB       PHE  10  -3.855   7.460   2.256
   64    HD1  PHE  10           HD1      PHE  10  -3.564   5.391  -0.702
   65    HD2  PHE  10           HD2      PHE  10  -1.911   6.229   3.130
   66    HE1  PHE  10           HE1      PHE  10  -1.507   4.196  -1.332
   67    HE2  PHE  10           HE2      PHE  10   0.149   5.037   2.506
   68    HZ   PHE  10           HZ       PHE  10   0.353   4.019   0.272
   69    H    ASN  11           H        ASN  11  -5.851   3.350   2.784
   70    HA   ASN  11           HA       ASN  11  -6.745   1.658   1.544
   71    HB2  ASN  11          2HB       ASN  11  -8.386   4.065   0.946
   72    HB3  ASN  11          3HB       ASN  11  -8.639   2.650  -0.072
   73   HD21  ASN  11          1HD2      ASN  11  -8.617   3.790   3.253
   74   HD22  ASN  11          2HD2      ASN  11  -9.721   2.608   3.859
   75    HA   PRO  12           HA       PRO  12  -4.084   2.706  -2.140
   76    HB2  PRO  12          2HB       PRO  12  -2.365   0.631  -1.802
   77    HB3  PRO  12          3HB       PRO  12  -2.144   2.200  -1.017
   78    HG2  PRO  12          2HG       PRO  12  -3.294  -0.330   0.096
   79    HG3  PRO  12          3HG       PRO  12  -2.165   0.812   0.849
   80    HD2  PRO  12          2HD       PRO  12  -4.814   0.797   1.412
   81    HD3  PRO  12          3HD       PRO  12  -3.843   2.283   1.428
   82    H    ASN  13           H        ASN  13  -4.830  -0.591  -0.985
   83    HA   ASN  13           HA       ASN  13  -6.596  -1.257  -3.026
   84    HB2  ASN  13          2HB       ASN  13  -4.026  -1.095  -4.048
   85    HB3  ASN  13          3HB       ASN  13  -4.235  -2.817  -3.747
   86   HD21  ASN  13          1HD2      ASN  13  -4.488  -3.574  -5.757
   87   HD22  ASN  13          2HD2      ASN  13  -5.745  -3.091  -6.840
   88    H    GLY  14           H        GLY  14  -6.154  -1.675  -0.215
   89    HA2  GLY  14          2HA       GLY  14  -7.259  -3.957   0.445
   90    HA3  GLY  14          3HA       GLY  14  -5.670  -4.558  -0.005
   91    H    VAL  15           H        VAL  15  -3.872  -4.051   1.285
   92    HA   VAL  15           HA       VAL  15  -3.879  -2.347   3.501
   93    HB   VAL  15           HB       VAL  15  -5.515  -3.744   4.540
   94   HG11  VAL  15          1HG1      VAL  15  -4.990  -5.726   3.038
   95   HG12  VAL  15          2HG1      VAL  15  -3.729  -6.138   4.202
   96   HG13  VAL  15          3HG1      VAL  15  -5.418  -6.090   4.710
   97   HG21  VAL  15          1HG2      VAL  15  -3.117  -3.156   5.677
   98   HG22  VAL  15          2HG2      VAL  15  -4.494  -3.839   6.541
   99   HG23  VAL  15          3HG2      VAL  15  -3.212  -4.896   5.948
  100    H    MET  16           H        MET  16  -1.780  -1.880   3.283
  101    HA   MET  16           HA       MET  16   0.184  -3.848   3.989
  102    HB2  MET  16          2HB       MET  16  -0.171  -2.997   1.158
  103    HB3  MET  16          3HB       MET  16   1.473  -3.162   1.759
  104    HG2  MET  16          2HG       MET  16   0.720  -5.483   2.565
  105    HG3  MET  16          3HG       MET  16  -0.643  -5.255   1.472
  106    HE1  MET  16          1HE       MET  16   0.547  -5.068  -1.887
  107    HE2  MET  16          2HE       MET  16  -0.101  -3.954  -0.683
  108    HE3  MET  16          3HE       MET  16   1.542  -3.741  -1.287
  109    H    HIS  17           H        HIS  17   2.488  -2.775   3.562
  110    HA   HIS  17           HA       HIS  17   2.310  -0.124   4.784
  111    HB2  HIS  17          2HB       HIS  17   4.615  -2.064   4.537
  112    HB3  HIS  17          3HB       HIS  17   4.733  -0.478   5.292
  113    HD1  HIS  17           HD1      HIS  17   2.649  -3.637   5.716
  114    HD2  HIS  17           HD2      HIS  17   4.300  -0.553   7.957
  115    HE1  HIS  17           HE1      HIS  17   2.140  -4.201   8.114
  116    H    TYR  18           H        TYR  18   4.477   1.190   4.173
  117    HA   TYR  18           HA       TYR  18   5.356   1.076   1.490
  118    HB2  TYR  18          2HB       TYR  18   4.151   2.808   0.444
  119    HB3  TYR  18          3HB       TYR  18   2.920   1.850   1.262
  120    HD1  TYR  18           HD1      TYR  18   2.634   2.702   3.866
  121    HD2  TYR  18           HD2      TYR  18   3.804   5.077   0.535
  122    HE1  TYR  18           HE1      TYR  18   1.835   4.716   5.029
  123    HE2  TYR  18           HE2      TYR  18   3.009   7.098   1.690
  124    HH   TYR  18           HH       TYR  18   1.478   6.905   4.887
  125    H    GLY  19           H        GLY  19   6.376   3.309   0.863
  126    HA2  GLY  19          2HA       GLY  19   7.385   5.341   1.700
  127    HA3  GLY  19          3HA       GLY  19   7.455   4.593   3.288
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1   1.837  -0.023   0.677
    2    HA2  GLY   1          2HA       GLY   1   0.537  -2.045   0.210
    3    HA3  GLY   1          3HA       GLY   1   0.335  -1.448  -1.430
    4    H    SER   2           H        SER   2   3.034  -2.098   0.813
    5    HA   SER   2           HA       SER   2   4.201  -3.957  -1.067
    6    HB2  SER   2          2HB       SER   2   5.141  -2.023  -2.057
    7    HB3  SER   2          3HB       SER   2   5.460  -1.277  -0.491
    8    HG   SER   2           HG       SER   2   7.175  -2.572  -1.865
    9    H    ASP   3           H        ASP   3   5.912  -2.012   1.322
   10    HA   ASP   3           HA       ASP   3   5.619  -3.606   3.568
   11    HB2  ASP   3          2HB       ASP   3   7.049  -4.993   1.612
   12    HB3  ASP   3          3HB       ASP   3   8.279  -4.402   2.725
   13    H    GLY   4           H        GLY   4   6.000  -0.874   2.838
   14    HA2  GLY   4          2HA       GLY   4   8.635  -0.005   3.486
   15    HA3  GLY   4          3HA       GLY   4   7.197   1.002   3.427
   16    HA   PRO   5           HA       PRO   5   8.694   0.433   7.850
   17    HB2  PRO   5          2HB       PRO   5   9.194   3.056   8.341
   18    HB3  PRO   5          3HB       PRO   5  10.406   1.955   7.676
   19    HG2  PRO   5          2HG       PRO   5   8.672   3.941   6.260
   20    HG3  PRO   5          3HG       PRO   5  10.394   3.591   6.023
   21    HD2  PRO   5          2HD       PRO   5   8.470   2.614   4.387
   22    HD3  PRO   5          3HD       PRO   5   9.967   1.725   4.739
   23    H    ILE   6           H        ILE   6   6.464   2.503   6.165
   24    HA   ILE   6           HA       ILE   6   4.842   2.733   8.615
   25    HB   ILE   6           HB       ILE   6   3.704   4.644   7.349
   26   HG12  ILE   6          2HG1      ILE   6   6.238   4.357   5.724
   27   HG13  ILE   6          3HG1      ILE   6   4.584   4.230   5.135
   28   HG21  ILE   6          1HG2      ILE   6   6.473   5.502   7.879
   29   HG22  ILE   6          2HG2      ILE   6   4.952   6.091   8.547
   30   HG23  ILE   6          3HG2      ILE   6   5.679   4.614   9.179
   31   HD11  ILE   6          1HD1      ILE   6   4.696   6.374   4.614
   32   HD12  ILE   6          2HD1      ILE   6   4.745   6.737   6.340
   33   HD13  ILE   6          3HD1      ILE   6   6.247   6.548   5.435
   34    H    ILE   7           H        ILE   7   2.551   2.529   8.399
   35    HA   ILE   7           HA       ILE   7   1.808   0.567   6.391
   36    HB   ILE   7           HB       ILE   7   0.232   1.675   8.718
   37   HG12  ILE   7          2HG1      ILE   7   1.307  -1.118   8.512
   38   HG13  ILE   7          3HG1      ILE   7   2.360   0.186   9.051
   39   HG21  ILE   7          1HG2      ILE   7  -0.378  -0.625   6.866
   40   HG22  ILE   7          2HG2      ILE   7  -1.294  -0.207   8.313
   41   HG23  ILE   7          3HG2      ILE   7  -1.242   0.910   6.949
   42   HD11  ILE   7          1HD1      ILE   7   1.592  -0.480  11.064
   43   HD12  ILE   7          2HD1      ILE   7   0.287   0.635  10.660
   44   HD13  ILE   7          3HD1      ILE   7   0.076  -1.097  10.408
   45    H    GLU   8           H        GLU   8   0.204   0.811   4.863
   46    HA   GLU   8           HA       GLU   8  -0.251   3.492   3.944
   47    HB2  GLU   8          2HB       GLU   8  -1.157   0.794   2.946
   48    HB3  GLU   8          3HB       GLU   8  -1.627   2.301   2.171
   49    HG2  GLU   8          2HG       GLU   8   0.755   2.825   1.815
   50    HG3  GLU   8          3HG       GLU   8   1.176   1.261   2.511
   51    H    PHE   9           H        PHE   9  -1.619   4.676   5.152
   52    HA   PHE   9           HA       PHE   9  -4.215   3.492   5.869
   53    HB2  PHE   9          2HB       PHE   9  -4.328   5.526   7.434
   54    HB3  PHE   9          3HB       PHE   9  -3.196   4.244   7.852
   55    HD1  PHE   9           HD1      PHE   9  -3.510   7.645   6.490
   56    HD2  PHE   9           HD2      PHE   9  -0.849   4.625   7.871
   57    HE1  PHE   9           HE1      PHE   9  -1.681   9.290   6.551
   58    HE2  PHE   9           HE2      PHE   9   0.984   6.265   7.936
   59    HZ   PHE   9           HZ       PHE   9   0.569   8.601   7.276
   60    H    PHE  10           H        PHE  10  -3.856   4.295   3.240
   61    HA   PHE  10           HA       PHE  10  -5.650   6.623   3.114
   62    HB2  PHE  10          2HB       PHE  10  -4.481   7.174   0.911
   63    HB3  PHE  10          3HB       PHE  10  -3.584   7.516   2.386
   64    HD1  PHE  10           HD1      PHE  10  -1.615   6.261   2.966
   65    HD2  PHE  10           HD2      PHE  10  -3.828   5.353  -0.555
   66    HE1  PHE  10           HE1      PHE  10   0.261   4.898   2.143
   67    HE2  PHE  10           HE2      PHE  10  -1.956   3.987  -1.383
   68    HZ   PHE  10           HZ       PHE  10   0.091   3.758  -0.033
   69    H    ASN  11           H        ASN  11  -6.546   4.007   3.172
   70    HA   ASN  11           HA       ASN  11  -7.806   2.468   2.058
   71    HB2  ASN  11          2HB       ASN  11  -8.366   5.004   0.531
   72    HB3  ASN  11          3HB       ASN  11  -9.170   3.490   0.129
   73   HD21  ASN  11          1HD2      ASN  11  -8.559   5.728   2.787
   74   HD22  ASN  11          2HD2      ASN  11 -10.045   5.429   3.615
   75    HA   PRO  12           HA       PRO  12  -4.478   1.892  -1.182
   76    HB2  PRO  12          2HB       PRO  12  -3.497  -0.417  -0.144
   77    HB3  PRO  12          3HB       PRO  12  -2.920   1.180   0.349
   78    HG2  PRO  12          2HG       PRO  12  -4.885  -0.626   1.704
   79    HG3  PRO  12          3HG       PRO  12  -3.569   0.327   2.413
   80    HD2  PRO  12          2HD       PRO  12  -6.153   1.134   2.481
   81    HD3  PRO  12          3HD       PRO  12  -4.798   2.277   2.385
   82    H    ASN  13           H        ASN  13  -4.000  -0.525  -2.141
   83    HA   ASN  13           HA       ASN  13  -6.659  -1.675  -2.685
   84    HB2  ASN  13          2HB       ASN  13  -4.517  -0.779  -4.480
   85    HB3  ASN  13          3HB       ASN  13  -5.128  -2.388  -4.853
   86   HD21  ASN  13          1HD2      ASN  13  -5.855  -1.375  -6.831
   87   HD22  ASN  13          2HD2      ASN  13  -7.363  -0.532  -6.845
   88    H    GLY  14           H        GLY  14  -3.305  -2.281  -1.957
   89    HA2  GLY  14          2HA       GLY  14  -3.774  -5.184  -2.059
   90    HA3  GLY  14          3HA       GLY  14  -2.198  -4.406  -2.012
   91    H    VAL  15           H        VAL  15  -3.500  -2.589   0.145
   92    HA   VAL  15           HA       VAL  15  -3.569  -2.487   2.419
   93    HB   VAL  15           HB       VAL  15  -4.059  -5.464   2.385
   94   HG11  VAL  15          1HG1      VAL  15  -5.328  -4.916   4.473
   95   HG12  VAL  15          2HG1      VAL  15  -3.584  -4.671   4.585
   96   HG13  VAL  15          3HG1      VAL  15  -4.660  -3.287   4.379
   97   HG21  VAL  15          1HG2      VAL  15  -6.500  -4.182   2.696
   98   HG22  VAL  15          2HG2      VAL  15  -5.705  -3.295   1.397
   99   HG23  VAL  15          3HG2      VAL  15  -5.937  -5.038   1.261
  100    H    MET  16           H        MET  16  -1.240  -2.052   2.177
  101    HA   MET  16           HA       MET  16   0.275  -3.808   3.889
  102    HB2  MET  16          2HB       MET  16   0.622  -3.860   0.996
  103    HB3  MET  16          3HB       MET  16   2.112  -3.461   1.840
  104    HG2  MET  16          2HG       MET  16   0.461  -5.799   2.698
  105    HG3  MET  16          3HG       MET  16   1.565  -5.927   1.330
  106    HE1  MET  16          1HE       MET  16   2.312  -5.698   5.730
  107    HE2  MET  16          2HE       MET  16   0.825  -5.856   4.795
  108    HE3  MET  16          3HE       MET  16   1.903  -7.240   4.977
  109    H    HIS  17           H        HIS  17   2.741  -2.867   3.754
  110    HA   HIS  17           HA       HIS  17   2.462  -0.159   4.688
  111    HB2  HIS  17          2HB       HIS  17   4.873  -1.965   4.433
  112    HB3  HIS  17          3HB       HIS  17   4.917  -0.356   5.147
  113    HD1  HIS  17           HD1      HIS  17   3.096  -3.651   5.699
  114    HD2  HIS  17           HD2      HIS  17   4.473  -0.353   7.817
  115    HE1  HIS  17           HE1      HIS  17   2.652  -4.173   8.118
  116    H    TYR  18           H        TYR  18   4.542   1.268   4.011
  117    HA   TYR  18           HA       TYR  18   5.343   1.156   1.297
  118    HB2  TYR  18          2HB       TYR  18   4.036   2.829   0.287
  119    HB3  TYR  18          3HB       TYR  18   2.871   1.845   1.167
  120    HD1  TYR  18           HD1      TYR  18   2.652   2.717   3.764
  121    HD2  TYR  18           HD2      TYR  18   3.640   5.091   0.374
  122    HE1  TYR  18           HE1      TYR  18   1.840   4.720   4.938
  123    HE2  TYR  18           HE2      TYR  18   2.832   7.101   1.539
  124    HH   TYR  18           HH       TYR  18   2.578   7.624   4.346
  125    H    GLY  19           H        GLY  19   6.257   3.421   0.622
  126    HA2  GLY  19          2HA       GLY  19   7.297   5.453   1.327
  127    HA3  GLY  19          3HA       GLY  19   7.304   4.840   2.974
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1   1.825  -0.049   0.713
    2    HA2  GLY   1          2HA       GLY   1   0.507  -2.067   0.269
    3    HA3  GLY   1          3HA       GLY   1   0.306  -1.482  -1.377
    4    H    SER   2           H        SER   2   3.005  -2.128   0.866
    5    HA   SER   2           HA       SER   2   4.158  -4.009  -0.999
    6    HB2  SER   2          2HB       SER   2   5.092  -2.065  -1.998
    7    HB3  SER   2          3HB       SER   2   5.455  -1.343  -0.430
    8    HG   SER   2           HG       SER   2   7.345  -2.185  -1.240
    9    H    ASP   3           H        ASP   3   5.886  -2.054   1.369
   10    HA   ASP   3           HA       ASP   3   5.587  -3.627   3.630
   11    HB2  ASP   3          2HB       ASP   3   7.004  -5.041   1.682
   12    HB3  ASP   3          3HB       ASP   3   8.240  -4.449   2.788
   13    H    GLY   4           H        GLY   4   5.984  -0.904   2.876
   14    HA2  GLY   4          2HA       GLY   4   8.627  -0.048   3.511
   15    HA3  GLY   4          3HA       GLY   4   7.195   0.969   3.445
   16    HA   PRO   5           HA       PRO   5   8.696   0.430   7.871
   17    HB2  PRO   5          2HB       PRO   5   9.212   3.054   8.338
   18    HB3  PRO   5          3HB       PRO   5  10.417   1.940   7.681
   19    HG2  PRO   5          2HG       PRO   5   8.692   3.924   6.250
   20    HG3  PRO   5          3HG       PRO   5  10.411   3.561   6.013
   21    HD2  PRO   5          2HD       PRO   5   8.479   2.581   4.389
   22    HD3  PRO   5          3HD       PRO   5   9.971   1.687   4.746
   23    H    ILE   6           H        ILE   6   6.476   2.500   6.172
   24    HA   ILE   6           HA       ILE   6   4.859   2.761   8.622
   25    HB   ILE   6           HB       ILE   6   3.731   4.667   7.342
   26   HG12  ILE   6          2HG1      ILE   6   6.257   4.348   5.711
   27   HG13  ILE   6          3HG1      ILE   6   4.600   4.229   5.129
   28   HG21  ILE   6          1HG2      ILE   6   5.551   4.718   9.226
   29   HG22  ILE   6          2HG2      ILE   6   6.569   5.354   7.935
   30   HG23  ILE   6          3HG2      ILE   6   5.088   6.198   8.386
   31   HD11  ILE   6          1HD1      ILE   6   4.780   6.744   6.309
   32   HD12  ILE   6          2HD1      ILE   6   6.281   6.537   5.407
   33   HD13  ILE   6          3HD1      ILE   6   4.729   6.367   4.588
   34    H    ILE   7           H        ILE   7   2.567   2.570   8.412
   35    HA   ILE   7           HA       ILE   7   1.808   0.593   6.423
   36    HB   ILE   7           HB       ILE   7   0.243   1.732   8.742
   37   HG12  ILE   7          2HG1      ILE   7   1.301  -1.068   8.564
   38   HG13  ILE   7          3HG1      ILE   7   2.364   0.234   9.085
   39   HG21  ILE   7          1HG2      ILE   7  -1.239   0.959   6.983
   40   HG22  ILE   7          2HG2      ILE   7  -0.382  -0.580   6.912
   41   HG23  ILE   7          3HG2      ILE   7  -1.295  -0.146   8.357
   42   HD11  ILE   7          1HD1      ILE   7   0.064  -1.007  10.460
   43   HD12  ILE   7          2HD1      ILE   7   1.596  -0.417  11.105
   44   HD13  ILE   7          3HD1      ILE   7   0.312   0.722  10.700
   45    H    GLU   8           H        GLU   8   0.203   0.833   4.896
   46    HA   GLU   8           HA       GLU   8  -0.238   3.509   3.953
   47    HB2  GLU   8          2HB       GLU   8  -1.162   0.808   2.981
   48    HB3  GLU   8          3HB       GLU   8  -1.624   2.310   2.193
   49    HG2  GLU   8          2HG       GLU   8   0.761   2.817   1.829
   50    HG3  GLU   8          3HG       GLU   8   1.173   1.256   2.538
   51    H    PHE   9           H        PHE   9  -1.596   4.711   5.155
   52    HA   PHE   9           HA       PHE   9  -4.198   3.550   5.887
   53    HB2  PHE   9          2HB       PHE   9  -4.296   5.598   7.434
   54    HB3  PHE   9          3HB       PHE   9  -3.170   4.313   7.861
   55    HD1  PHE   9           HD1      PHE   9  -3.467   7.704   6.469
   56    HD2  PHE   9           HD2      PHE   9  -0.821   4.680   7.872
   57    HE1  PHE   9           HE1      PHE   9  -1.628   9.338   6.513
   58    HE2  PHE   9           HE2      PHE   9   1.022   6.309   7.919
   59    HZ   PHE   9           HZ       PHE   9   0.620   8.642   7.239
   60    H    PHE  10           H        PHE  10  -3.841   4.326   3.250
   61    HA   PHE  10           HA       PHE  10  -5.620   6.664   3.107
   62    HB2  PHE  10          2HB       PHE  10  -4.453   7.187   0.896
   63    HB3  PHE  10          3HB       PHE  10  -3.551   7.538   2.367
   64    HD1  PHE  10           HD1      PHE  10  -3.812   5.350  -0.553
   65    HD2  PHE  10           HD2      PHE  10  -1.588   6.276   2.955
   66    HE1  PHE  10           HE1      PHE  10  -1.951   3.965  -1.372
   67    HE2  PHE  10           HE2      PHE  10   0.277   4.894   2.142
   68    HZ   PHE  10           HZ       PHE  10   0.098   3.737  -0.025
   69    H    ASN  11           H        ASN  11  -6.532   4.053   3.190
   70    HA   ASN  11           HA       ASN  11  -7.803   2.511   2.093
   71    HB2  ASN  11          2HB       ASN  11  -8.347   5.017   0.504
   72    HB3  ASN  11          3HB       ASN  11  -9.191   3.504   0.190
   73   HD21  ASN  11          1HD2      ASN  11  -9.742   6.306   1.470
   74   HD22  ASN  11          2HD2      ASN  11 -10.719   5.897   2.835
   75    HA   PRO  12           HA       PRO  12  -4.485   1.889  -1.150
   76    HB2  PRO  12          2HB       PRO  12  -3.515  -0.417  -0.095
   77    HB3  PRO  12          3HB       PRO  12  -2.928   1.180   0.384
   78    HG2  PRO  12          2HG       PRO  12  -4.901  -0.603   1.759
   79    HG3  PRO  12          3HG       PRO  12  -3.577   0.349   2.456
   80    HD2  PRO  12          2HD       PRO  12  -6.156   1.172   2.523
   81    HD3  PRO  12          3HD       PRO  12  -4.795   2.306   2.414
   82    H    ASN  13           H        ASN  13  -4.024  -0.537  -2.092
   83    HA   ASN  13           HA       ASN  13  -6.690  -1.678  -2.618
   84    HB2  ASN  13          2HB       ASN  13  -4.362  -1.178  -4.457
   85    HB3  ASN  13          3HB       ASN  13  -5.580  -2.388  -4.847
   86   HD21  ASN  13          1HD2      ASN  13  -7.472  -1.757  -5.689
   87   HD22  ASN  13          2HD2      ASN  13  -7.933  -0.112  -5.949
   88    H    GLY  14           H        GLY  14  -3.342  -2.293  -1.882
   89    HA2  GLY  14          2HA       GLY  14  -3.824  -5.195  -1.964
   90    HA3  GLY  14          3HA       GLY  14  -2.245  -4.425  -1.927
   91    H    VAL  15           H        VAL  15  -3.532  -2.584   0.218
   92    HA   VAL  15           HA       VAL  15  -3.596  -2.463   2.491
   93    HB   VAL  15           HB       VAL  15  -4.103  -5.438   2.482
   94   HG11  VAL  15          1HG1      VAL  15  -5.574  -4.274   4.494
   95   HG12  VAL  15          2HG1      VAL  15  -4.031  -5.108   4.691
   96   HG13  VAL  15          3HG1      VAL  15  -4.071  -3.353   4.515
   97   HG21  VAL  15          1HG2      VAL  15  -5.812  -3.183   1.660
   98   HG22  VAL  15          2HG2      VAL  15  -5.885  -4.887   1.209
   99   HG23  VAL  15          3HG2      VAL  15  -6.557  -4.353   2.749
  100    H    MET  16           H        MET  16  -1.264  -2.045   2.238
  101    HA   MET  16           HA       MET  16   0.243  -3.795   3.963
  102    HB2  MET  16          2HB       MET  16   0.584  -3.874   1.070
  103    HB3  MET  16          3HB       MET  16   2.078  -3.477   1.908
  104    HG2  MET  16          2HG       MET  16   0.412  -5.799   2.783
  105    HG3  MET  16          3HG       MET  16   1.521  -5.943   1.422
  106    HE1  MET  16          1HE       MET  16   2.787  -8.059   3.454
  107    HE2  MET  16          2HE       MET  16   3.095  -7.372   1.859
  108    HE3  MET  16          3HE       MET  16   4.353  -7.332   3.095
  109    H    HIS  17           H        HIS  17   2.713  -2.870   3.818
  110    HA   HIS  17           HA       HIS  17   2.454  -0.152   4.727
  111    HB2  HIS  17          2HB       HIS  17   4.853  -1.975   4.483
  112    HB3  HIS  17          3HB       HIS  17   4.908  -0.360   5.182
  113    HD1  HIS  17           HD1      HIS  17   3.070  -3.639   5.768
  114    HD2  HIS  17           HD2      HIS  17   4.469  -0.329   7.853
  115    HE1  HIS  17           HE1      HIS  17   2.628  -4.136   8.193
  116    H    TYR  18           H        TYR  18   4.543   1.254   4.033
  117    HA   TYR  18           HA       TYR  18   5.337   1.113   1.318
  118    HB2  TYR  18          2HB       TYR  18   4.038   2.786   0.295
  119    HB3  TYR  18          3HB       TYR  18   2.869   1.817   1.186
  120    HD1  TYR  18           HD1      TYR  18   3.658   5.051   0.364
  121    HD2  TYR  18           HD2      TYR  18   2.661   2.713   3.776
  122    HE1  TYR  18           HE1      TYR  18   2.864   7.076   1.511
  123    HE2  TYR  18           HE2      TYR  18   1.863   4.732   4.933
  124    HH   TYR  18           HH       TYR  18   2.467   7.369   4.659
  125    H    GLY  19           H        GLY  19   6.265   3.366   0.621
  126    HA2  GLY  19          2HA       GLY  19   8.230   4.063   2.530
  127    HA3  GLY  19          3HA       GLY  19   7.921   4.906   1.020
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1   1.975   0.217   0.683
    2    HA2  GLY   1          2HA       GLY   1   0.768  -1.712  -0.170
    3    HA3  GLY   1          3HA       GLY   1   0.713  -0.912  -1.734
    4    H    SER   2           H        SER   2   3.063  -2.125   0.650
    5    HA   SER   2           HA       SER   2   4.407  -3.722  -1.276
    6    HB2  SER   2          2HB       SER   2   5.438  -0.989  -0.738
    7    HB3  SER   2          3HB       SER   2   6.628  -2.289  -0.780
    8    HG   SER   2           HG       SER   2   6.380  -1.493  -2.851
    9    H    ASP   3           H        ASP   3   6.013  -1.902   1.278
   10    HA   ASP   3           HA       ASP   3   5.611  -3.554   3.448
   11    HB2  ASP   3          2HB       ASP   3   7.910  -4.786   3.323
   12    HB3  ASP   3          3HB       ASP   3   6.517  -5.462   2.483
   13    H    GLY   4           H        GLY   4   5.927  -0.894   3.217
   14    HA2  GLY   4          2HA       GLY   4   8.653  -0.140   3.860
   15    HA3  GLY   4          3HA       GLY   4   7.270   0.938   3.744
   16    HA   PRO   5           HA       PRO   5   8.459   0.205   8.230
   17    HB2  PRO   5          2HB       PRO   5   8.982   2.802   8.825
   18    HB3  PRO   5          3HB       PRO   5  10.210   1.693   8.203
   19    HG2  PRO   5          2HG       PRO   5   8.606   3.755   6.741
   20    HG3  PRO   5          3HG       PRO   5  10.331   3.373   6.599
   21    HD2  PRO   5          2HD       PRO   5   8.491   2.483   4.823
   22    HD3  PRO   5          3HD       PRO   5   9.945   1.553   5.239
   23    H    ILE   6           H        ILE   6   6.371   2.353   6.468
   24    HA   ILE   6           HA       ILE   6   4.613   2.565   8.825
   25    HB   ILE   6           HB       ILE   6   3.586   4.521   7.522
   26   HG12  ILE   6          2HG1      ILE   6   6.229   4.231   6.082
   27   HG13  ILE   6          3HG1      ILE   6   4.622   4.138   5.370
   28   HG21  ILE   6          1HG2      ILE   6   5.028   6.069   8.568
   29   HG22  ILE   6          2HG2      ILE   6   5.069   4.619   9.569
   30   HG23  ILE   6          3HG2      ILE   6   6.403   4.969   8.470
   31   HD11  ILE   6          1HD1      ILE   6   4.793   6.292   4.908
   32   HD12  ILE   6          2HD1      ILE   6   4.726   6.617   6.640
   33   HD13  ILE   6          3HD1      ILE   6   6.285   6.426   5.838
   34    H    ILE   7           H        ILE   7   2.306   2.522   8.410
   35    HA   ILE   7           HA       ILE   7   1.655   0.589   6.325
   36    HB   ILE   7           HB       ILE   7  -0.020   1.639   8.609
   37   HG12  ILE   7          2HG1      ILE   7   0.978  -1.174   8.358
   38   HG13  ILE   7          3HG1      ILE   7   2.066   0.072   8.960
   39   HG21  ILE   7          1HG2      ILE   7  -0.581  -0.566   6.630
   40   HG22  ILE   7          2HG2      ILE   7  -1.559  -0.196   8.050
   41   HG23  ILE   7          3HG2      ILE   7  -1.421   0.981   6.743
   42   HD11  ILE   7          1HD1      ILE   7   1.201  -0.674  10.921
   43   HD12  ILE   7          2HD1      ILE   7   0.023   0.585  10.547
   44   HD13  ILE   7          3HD1      ILE   7  -0.352  -1.103  10.203
   45    H    GLU   8           H        GLU   8   0.146   0.921   4.721
   46    HA   GLU   8           HA       GLU   8  -0.224   3.645   3.891
   47    HB2  GLU   8          2HB       GLU   8  -1.092   1.003   2.723
   48    HB3  GLU   8          3HB       GLU   8  -1.502   2.547   1.989
   49    HG2  GLU   8          2HG       GLU   8   0.913   3.057   1.818
   50    HG3  GLU   8          3HG       GLU   8   1.261   1.444   2.438
   51    H    PHE   9           H        PHE   9  -1.658   4.800   5.044
   52    HA   PHE   9           HA       PHE   9  -4.290   3.608   5.592
   53    HB2  PHE   9          2HB       PHE   9  -4.484   5.636   7.168
   54    HB3  PHE   9          3HB       PHE   9  -3.396   4.334   7.637
   55    HD1  PHE   9           HD1      PHE   9  -3.582   7.753   6.297
   56    HD2  PHE   9           HD2      PHE   9  -1.049   4.681   7.802
   57    HE1  PHE   9           HE1      PHE   9  -1.737   9.371   6.486
   58    HE2  PHE   9           HE2      PHE   9   0.799   6.293   7.994
   59    HZ   PHE   9           HZ       PHE   9   0.456   8.642   7.337
   60    H    PHE  10           H        PHE  10  -3.851   4.410   2.999
   61    HA   PHE  10           HA       PHE  10  -5.619   6.751   2.809
   62    HB2  PHE  10          2HB       PHE  10  -4.352   7.332   0.675
   63    HB3  PHE  10          3HB       PHE  10  -3.513   7.642   2.191
   64    HD1  PHE  10           HD1      PHE  10  -1.529   6.460   2.774
   65    HD2  PHE  10           HD2      PHE  10  -3.698   5.437  -0.743
   66    HE1  PHE  10           HE1      PHE  10   0.370   5.099   2.002
   67    HE2  PHE  10           HE2      PHE  10  -1.803   4.074  -1.519
   68    HZ   PHE  10           HZ       PHE  10   0.234   3.903  -0.147
   69    H    ASN  11           H        ASN  11  -6.062   3.821   2.685
   70    HA   ASN  11           HA       ASN  11  -7.173   2.266   1.443
   71    HB2  ASN  11          2HB       ASN  11  -8.357   4.890   0.687
   72    HB3  ASN  11          3HB       ASN  11  -8.799   3.493  -0.290
   73   HD21  ASN  11          1HD2      ASN  11  -8.176   3.888   3.177
   74   HD22  ASN  11          2HD2      ASN  11  -9.705   3.272   3.696
   75    HA   PRO  12           HA       PRO  12  -4.202   2.792  -2.128
   76    HB2  PRO  12          2HB       PRO  12  -2.776   0.539  -1.612
   77    HB3  PRO  12          3HB       PRO  12  -2.392   2.106  -0.889
   78    HG2  PRO  12          2HG       PRO  12  -3.901  -0.200   0.280
   79    HG3  PRO  12          3HG       PRO  12  -2.670   0.830   1.035
   80    HD2  PRO  12          2HD       PRO  12  -5.321   1.172   1.467
   81    HD3  PRO  12          3HD       PRO  12  -4.172   2.525   1.463
   82    H    ASN  13           H        ASN  13  -5.456  -0.300  -0.854
   83    HA   ASN  13           HA       ASN  13  -7.161  -0.837  -2.991
   84    HB2  ASN  13          2HB       ASN  13  -4.460  -1.222  -3.701
   85    HB3  ASN  13          3HB       ASN  13  -5.139  -2.832  -3.476
   86   HD21  ASN  13          1HD2      ASN  13  -6.078  -3.691  -5.173
   87   HD22  ASN  13          2HD2      ASN  13  -6.740  -2.831  -6.517
   88    H    GLY  14           H        GLY  14  -4.932  -2.251  -0.639
   89    HA2  GLY  14          2HA       GLY  14  -7.132  -3.955   0.300
   90    HA3  GLY  14          3HA       GLY  14  -5.597  -4.710  -0.102
   91    H    VAL  15           H        VAL  15  -3.718  -4.129   1.143
   92    HA   VAL  15           HA       VAL  15  -3.742  -2.460   3.386
   93    HB   VAL  15           HB       VAL  15  -5.348  -3.894   4.414
   94   HG11  VAL  15          1HG1      VAL  15  -4.069  -6.387   4.673
   95   HG12  VAL  15          2HG1      VAL  15  -5.541  -6.011   3.774
   96   HG13  VAL  15          3HG1      VAL  15  -3.973  -5.946   2.968
   97   HG21  VAL  15          1HG2      VAL  15  -2.698  -4.746   5.559
   98   HG22  VAL  15          2HG2      VAL  15  -3.353  -3.121   5.757
   99   HG23  VAL  15          3HG2      VAL  15  -4.225  -4.509   6.409
  100    H    MET  16           H        MET  16  -1.652  -1.956   3.167
  101    HA   MET  16           HA       MET  16   0.341  -3.933   3.798
  102    HB2  MET  16          2HB       MET  16  -0.194  -3.231   1.040
  103    HB3  MET  16          3HB       MET  16   1.450  -2.802   1.492
  104    HG2  MET  16          2HG       MET  16   1.715  -5.139   2.362
  105    HG3  MET  16          3HG       MET  16   0.157  -5.509   1.626
  106    HE1  MET  16          1HE       MET  16   2.516  -7.172   1.115
  107    HE2  MET  16          2HE       MET  16   1.292  -7.495  -0.113
  108    HE3  MET  16          3HE       MET  16   2.966  -7.207  -0.591
  109    H    HIS  17           H        HIS  17   2.634  -2.717   3.246
  110    HA   HIS  17           HA       HIS  17   2.398  -0.146   4.651
  111    HB2  HIS  17          2HB       HIS  17   4.706  -2.087   4.445
  112    HB3  HIS  17          3HB       HIS  17   4.813  -0.510   5.222
  113    HD1  HIS  17           HD1      HIS  17   2.776  -3.704   5.557
  114    HD2  HIS  17           HD2      HIS  17   4.218  -0.563   7.863
  115    HE1  HIS  17           HE1      HIS  17   2.171  -4.279   7.929
  116    H    TYR  18           H        TYR  18   4.477   1.266   4.148
  117    HA   TYR  18           HA       TYR  18   5.466   1.196   1.480
  118    HB2  TYR  18          2HB       TYR  18   4.296   2.971   0.474
  119    HB3  TYR  18          3HB       TYR  18   3.041   2.005   1.241
  120    HD1  TYR  18           HD1      TYR  18   2.674   2.771   3.842
  121    HD2  TYR  18           HD2      TYR  18   4.027   5.246   0.656
  122    HE1  TYR  18           HE1      TYR  18   1.882   4.757   5.057
  123    HE2  TYR  18           HE2      TYR  18   3.239   7.239   1.863
  124    HH   TYR  18           HH       TYR  18   2.634   7.388   4.971
  125    H    GLY  19           H        GLY  19   6.538   3.422   0.955
  126    HA2  GLY  19          2HA       GLY  19   7.733   5.309   1.701
  127    HA3  GLY  19          3HA       GLY  19   7.410   4.830   3.360