*HEADER    HYDROLASE INHIBITOR                     15-MAR-07   2P5H              
*TITLE     SPLA2 INHIBITOR 9                                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PIP9;                                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SYNTHETIC PEPTIDE                                     
*KEYWDS    SPLA2, INHIBITOR, HYDROLASE INHIBITOR                                 
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    M.M.THWIN, D.S.SATYANARAYANAJOIS, L.M.NAGARAJARAO, K.SATO,            
*AUTHOR   2 P.P.GOPALAKRISHNAKONE, P.ARJUNAN                                     
*REVDAT   1   13-NOV-07 2P5H    0                                                


  1 VAL  H       1 VAL  HA      2.93  0.00E+00
  1 VAL  H       1 VAL  HB      4.22  0.00E+00
  1 VAL  H       1 VAL  QG1     3.99  0.00E+00
  1 VAL  H       1 VAL  QG2     3.99  0.00E+00
  1 VAL  H       1 VAL  HG11    5.04  0.00E+00
  1 VAL  H       1 VAL  HG12    5.22  0.00E+00
  1 VAL  H       1 VAL  HG13    4.82  0.00E+00
  1 VAL  H       1 VAL  HG21    5.46  0.00E+00
  1 VAL  H       1 VAL  HG22    5.40  0.00E+00
  1 VAL  H       1 VAL  HG23    5.11  0.00E+00
  1 VAL  H       1 VAL  QQG     3.19  0.00E+00
  1 VAL  H       2 ASP  H       4.63  0.00E+00
  1 VAL  HA      1 VAL  HB      3.02  0.00E+00
  1 VAL  HA      1 VAL  QG1     3.20  0.00E+00
  1 VAL  HA      1 VAL  QG2     3.20  0.00E+00
  1 VAL  HA      1 VAL  HG11    4.25  0.00E+00
  1 VAL  HA      1 VAL  HG12    4.25  0.00E+00
  1 VAL  HA      1 VAL  HG13    4.21  0.00E+00
  1 VAL  HA      1 VAL  HG21    4.25  0.00E+00
  1 VAL  HA      1 VAL  HG22    4.26  0.00E+00
  1 VAL  HA      1 VAL  HG23    4.19  0.00E+00
  1 VAL  HA      1 VAL  QQG     2.34  0.00E+00
  1 VAL  HA      2 ASP  H       3.57  0.00E+00
  1 VAL  HA      2 ASP  QB      4.80  0.00E+00
  1 VAL  HB      1 VAL  QG1     2.13  0.00E+00
  1 VAL  HB      1 VAL  QG2     2.13  0.00E+00
  1 VAL  HB      1 VAL  HG11    3.01  0.00E+00
  1 VAL  HB      1 VAL  HG12    3.01  0.00E+00
  1 VAL  HB      1 VAL  HG13    3.02  0.00E+00
  1 VAL  HB      1 VAL  HG21    3.02  0.00E+00
  1 VAL  HB      1 VAL  HG22    3.02  0.00E+00
  1 VAL  HB      1 VAL  HG23    3.02  0.00E+00
  1 VAL  HB      1 VAL  QQG     1.90  0.00E+00
  1 VAL  HB      2 ASP  H       4.29  0.00E+00
  1 VAL  QG1     1 VAL  QG2     2.10  0.00E+00
  1 VAL  QG1     2 ASP  H       3.95  0.00E+00
  1 VAL  QG2     2 ASP  H       3.95  0.00E+00
  1 VAL  HG11    1 VAL  HG12    1.76  0.00E+00
  1 VAL  HG11    1 VAL  HG13    1.76  0.00E+00
  1 VAL  HG11    1 VAL  HG21    4.24  0.00E+00
  1 VAL  HG11    1 VAL  HG22    4.19  0.00E+00
  1 VAL  HG11    1 VAL  HG23    4.18  0.00E+00
  1 VAL  HG12    1 VAL  HG13    1.76  0.00E+00
  1 VAL  HG12    1 VAL  HG21    4.25  0.00E+00
  1 VAL  HG12    1 VAL  HG22    4.17  0.00E+00
  1 VAL  HG12    1 VAL  HG23    4.25  0.00E+00
  1 VAL  HG12    2 ASP  H       4.88  0.00E+00
  1 VAL  HG13    1 VAL  HG21    4.15  0.00E+00
  1 VAL  HG13    1 VAL  HG22    3.69  0.00E+00
  1 VAL  HG13    1 VAL  HG23    4.20  0.00E+00
  1 VAL  HG21    1 VAL  HG22    1.76  0.00E+00
  1 VAL  HG21    1 VAL  HG23    1.76  0.00E+00
  1 VAL  HG22    1 VAL  HG23    1.76  0.00E+00
  1 VAL  HG23    2 ASP  H       4.89  0.00E+00
  1 VAL  QQG     2 ASP  H       3.26  0.00E+00
  1 VAL  QQG     2 ASP  HA      4.31  0.00E+00
  1 VAL  QQG     2 ASP  QB      4.68  0.00E+00
  2 ASP  H       2 ASP  HA      2.95  0.00E+00
  2 ASP  H       2 ASP  HB2     4.05  0.00E+00
  2 ASP  H       2 ASP  HB3     4.05  0.00E+00
  2 ASP  H       2 ASP  QB      3.44  0.00E+00
  2 ASP  H       3 ILE  H       4.63  0.00E+00
  2 ASP  HA      2 ASP  HB2     3.02  0.00E+00
  2 ASP  HA      2 ASP  HB3     3.02  0.00E+00
  2 ASP  HA      2 ASP  QB      2.53  0.00E+00
  2 ASP  HA      3 ILE  H       3.57  0.00E+00
  2 ASP  HA      3 ILE  HA      4.81  0.00E+00
  2 ASP  HB2     2 ASP  HB3     1.76  0.00E+00
  2 ASP  HB2     3 ILE  H       4.38  0.00E+00
  2 ASP  HB3     3 ILE  H       4.38  0.00E+00
  2 ASP  QB      3 ILE  H       4.01  0.00E+00
  2 ASP  QB      3 ILE  HA      4.70  0.00E+00
  3 ILE  H       3 ILE  HA      2.95  0.00E+00
  3 ILE  H       3 ILE  HB      3.79  0.00E+00
  3 ILE  H       3 ILE  QG2     4.01  0.00E+00
  3 ILE  H       3 ILE  HG21    5.03  0.00E+00
  3 ILE  H       3 ILE  HG22    5.22  0.00E+00
  3 ILE  H       3 ILE  HG23    4.97  0.00E+00
  3 ILE  H       3 ILE  HG12    4.61  0.00E+00
  3 ILE  H       3 ILE  HG13    4.61  0.00E+00
  3 ILE  H       3 ILE  QG1     4.20  0.00E+00
  3 ILE  H       3 ILE  QD1     4.95  0.00E+00
  3 ILE  H       3 ILE  HD11    6.38  0.00E+00
  3 ILE  H       3 ILE  HD12    6.24  0.00E+00
  3 ILE  H       3 ILE  HD13    6.00  0.00E+00
  3 ILE  H       4 HIS  H       4.64  0.00E+00
  3 ILE  HA      3 ILE  HB      3.02  0.00E+00
  3 ILE  HA      3 ILE  QG2     3.20  0.00E+00
  3 ILE  HA      3 ILE  HG21    4.24  0.00E+00
  3 ILE  HA      3 ILE  HG22    4.24  0.00E+00
  3 ILE  HA      3 ILE  HG23    4.25  0.00E+00
  3 ILE  HA      3 ILE  HG12    3.74  0.00E+00
  3 ILE  HA      3 ILE  HG13    3.74  0.00E+00
  3 ILE  HA      3 ILE  QG1     3.33  0.00E+00
  3 ILE  HA      3 ILE  QD1     4.17  0.00E+00
  3 ILE  HA      3 ILE  HD11    5.45  0.00E+00
  3 ILE  HA      3 ILE  HD12    5.49  0.00E+00
  3 ILE  HA      3 ILE  HD13    5.33  0.00E+00
  3 ILE  HA      4 HIS  H       3.57  0.00E+00
  3 ILE  HA      4 HIS  QB      5.00  0.00E+00
  3 ILE  HB      3 ILE  QG2     2.13  0.00E+00
  3 ILE  HB      3 ILE  HG21    3.00  0.00E+00
  3 ILE  HB      3 ILE  HG22    3.01  0.00E+00
  3 ILE  HB      3 ILE  HG23    3.02  0.00E+00
  3 ILE  HB      3 ILE  HG12    2.91  0.00E+00
  3 ILE  HB      3 ILE  HG13    2.91  0.00E+00
  3 ILE  HB      3 ILE  QG1     2.54  0.00E+00
  3 ILE  HB      3 ILE  QD1     3.23  0.00E+00
  3 ILE  HB      3 ILE  HD11    3.98  0.00E+00
  3 ILE  HB      3 ILE  HD12    4.22  0.00E+00
  3 ILE  HB      3 ILE  HD13    4.24  0.00E+00
  3 ILE  HB      4 HIS  H       4.40  0.00E+00
  3 ILE  QG2     3 ILE  HG12    3.19  0.00E+00
  3 ILE  QG2     3 ILE  HG13    3.19  0.00E+00
  3 ILE  QG2     3 ILE  QG1     2.31  0.00E+00
  3 ILE  QG2     3 ILE  QD1     2.97  0.00E+00
  3 ILE  QG2     3 ILE  HD11    4.03  0.00E+00
  3 ILE  QG2     3 ILE  HD12    4.01  0.00E+00
  3 ILE  QG2     3 ILE  HD13    3.99  0.00E+00
  3 ILE  QG2     4 HIS  H       4.34  0.00E+00
  3 ILE  HG21    3 ILE  HG22    1.76  0.00E+00
  3 ILE  HG21    3 ILE  HG23    1.76  0.00E+00
  3 ILE  HG21    3 ILE  HG12    4.20  0.00E+00
  3 ILE  HG21    3 ILE  HG13    4.20  0.00E+00
  3 ILE  HG21    3 ILE  QG1     3.43  0.00E+00
  3 ILE  HG21    3 ILE  QD1     4.05  0.00E+00
  3 ILE  HG21    3 ILE  HD11    5.16  0.00E+00
  3 ILE  HG21    3 ILE  HD12    5.27  0.00E+00
  3 ILE  HG21    3 ILE  HD13    5.22  0.00E+00
  3 ILE  HG22    3 ILE  HG23    1.76  0.00E+00
  3 ILE  HG22    3 ILE  HG12    4.17  0.00E+00
  3 ILE  HG22    3 ILE  HG13    4.17  0.00E+00
  3 ILE  HG22    3 ILE  QG1     3.46  0.00E+00
  3 ILE  HG22    3 ILE  QD1     3.99  0.00E+00
  3 ILE  HG22    3 ILE  HD11    5.10  0.00E+00
  3 ILE  HG22    3 ILE  HD12    5.35  0.00E+00
  3 ILE  HG22    3 ILE  HD13    5.29  0.00E+00
  3 ILE  HG23    3 ILE  HG12    4.21  0.00E+00
  3 ILE  HG23    3 ILE  HG13    4.21  0.00E+00
  3 ILE  HG23    3 ILE  QG1     3.48  0.00E+00
  3 ILE  HG23    3 ILE  QD1     3.97  0.00E+00
  3 ILE  HG23    3 ILE  HD11    4.84  0.00E+00
  3 ILE  HG23    3 ILE  HD12    5.22  0.00E+00
  3 ILE  HG23    3 ILE  HD13    5.24  0.00E+00
  3 ILE  HG12    3 ILE  HG13    1.76  0.00E+00
  3 ILE  HG12    3 ILE  QD1     2.12  0.00E+00
  3 ILE  HG12    3 ILE  HD11    3.01  0.00E+00
  3 ILE  HG12    3 ILE  HD12    2.97  0.00E+00
  3 ILE  HG12    3 ILE  HD13    2.97  0.00E+00
  3 ILE  HG13    3 ILE  QD1     2.12  0.00E+00
  3 ILE  HG13    3 ILE  HD11    3.01  0.00E+00
  3 ILE  HG13    3 ILE  HD12    2.97  0.00E+00
  3 ILE  HG13    3 ILE  HD13    2.97  0.00E+00
  3 ILE  QG1     3 ILE  QD1     1.89  0.00E+00
  3 ILE  QG1     3 ILE  HD11    2.52  0.00E+00
  3 ILE  QG1     3 ILE  HD12    2.52  0.00E+00
  3 ILE  QG1     3 ILE  HD13    2.52  0.00E+00
  3 ILE  QG1     4 HIS  H       4.85  0.00E+00
  3 ILE  HD11    3 ILE  HD12    1.76  0.00E+00
  3 ILE  HD11    3 ILE  HD13    1.76  0.00E+00
  3 ILE  HD12    3 ILE  HD13    1.76  0.00E+00
  4 HIS  H       4 HIS  HA      2.95  0.00E+00
  4 HIS  H       4 HIS  HB2     3.42  0.00E+00
  4 HIS  H       4 HIS  HB3     3.42  0.00E+00
  4 HIS  H       4 HIS  QB      3.25  0.00E+00
  4 HIS  H       4 HIS  HD1     5.71  0.00E+00
  4 HIS  H       4 HIS  HD2     6.04  0.00E+00
  4 HIS  H       4 HIS  HE1     7.51  0.00E+00
  4 HIS  H       5 VAL  H       4.60  0.00E+00
  4 HIS  HA      4 HIS  HB2     3.01  0.00E+00
  4 HIS  HA      4 HIS  HB3     3.01  0.00E+00
  4 HIS  HA      4 HIS  QB      2.54  0.00E+00
  4 HIS  HA      4 HIS  HD1     4.63  0.00E+00
  4 HIS  HA      4 HIS  HD2     4.42  0.00E+00
  4 HIS  HA      4 HIS  HE1     5.76  0.00E+00
  4 HIS  HA      5 VAL  H       3.57  0.00E+00
  4 HIS  HA      5 VAL  QQG     4.65  0.00E+00
  4 HIS  HB2     4 HIS  HB3     1.76  0.00E+00
  4 HIS  HB2     4 HIS  HD1     3.81  0.00E+00
  4 HIS  HB2     4 HIS  HD2     3.97  0.00E+00
  4 HIS  HB2     4 HIS  HE1     5.34  0.00E+00
  4 HIS  HB2     5 VAL  H       4.38  0.00E+00
  4 HIS  HB3     4 HIS  HD1     3.81  0.00E+00
  4 HIS  HB3     4 HIS  HD2     3.97  0.00E+00
  4 HIS  HB3     4 HIS  HE1     5.34  0.00E+00
  4 HIS  HB3     5 VAL  H       4.38  0.00E+00
  4 HIS  QB      4 HIS  HD1     2.75  0.00E+00
  4 HIS  QB      4 HIS  HD2     3.20  0.00E+00
  4 HIS  QB      4 HIS  HE1     4.51  0.00E+00
  4 HIS  QB      5 VAL  H       4.01  0.00E+00
  4 HIS  QB      5 VAL  QQG     4.72  0.00E+00
  4 HIS  HD1     4 HIS  HD2     4.15  0.00E+00
  4 HIS  HD1     4 HIS  HE1     2.51  0.00E+00
  4 HIS  HD2     4 HIS  HE1     4.24  0.00E+00
  5 VAL  H       5 VAL  HA      2.94  0.00E+00
  5 VAL  H       5 VAL  HB      3.81  0.00E+00
  5 VAL  H       5 VAL  QG1     4.00  0.00E+00
  5 VAL  H       5 VAL  QG2     4.00  0.00E+00
  5 VAL  H       5 VAL  HG11    5.30  0.00E+00
  5 VAL  H       5 VAL  HG12    5.29  0.00E+00
  5 VAL  H       5 VAL  HG13    5.30  0.00E+00
  5 VAL  H       5 VAL  HG21    4.58  0.00E+00
  5 VAL  H       5 VAL  HG22    5.22  0.00E+00
  5 VAL  H       5 VAL  HG23    5.28  0.00E+00
  5 VAL  H       5 VAL  QQG     2.96  0.00E+00
  5 VAL  H       6 TRP  H       4.58  0.00E+00
  5 VAL  HA      5 VAL  HB      3.02  0.00E+00
  5 VAL  HA      5 VAL  QG1     3.20  0.00E+00
  5 VAL  HA      5 VAL  QG2     3.20  0.00E+00
  5 VAL  HA      5 VAL  HG11    4.25  0.00E+00
  5 VAL  HA      5 VAL  HG12    3.97  0.00E+00
  5 VAL  HA      5 VAL  HG13    4.24  0.00E+00
  5 VAL  HA      5 VAL  HG21    4.09  0.00E+00
  5 VAL  HA      5 VAL  HG22    4.25  0.00E+00
  5 VAL  HA      5 VAL  HG23    4.25  0.00E+00
  5 VAL  HA      5 VAL  QQG     2.33  0.00E+00
  5 VAL  HA      6 TRP  H       3.57  0.00E+00
  5 VAL  HB      5 VAL  QG1     2.13  0.00E+00
  5 VAL  HB      5 VAL  QG2     2.13  0.00E+00
  5 VAL  HB      5 VAL  HG11    3.02  0.00E+00
  5 VAL  HB      5 VAL  HG12    3.01  0.00E+00
  5 VAL  HB      5 VAL  HG13    3.02  0.00E+00
  5 VAL  HB      5 VAL  HG21    3.02  0.00E+00
  5 VAL  HB      5 VAL  HG22    3.02  0.00E+00
  5 VAL  HB      5 VAL  HG23    3.02  0.00E+00
  5 VAL  HB      5 VAL  QQG     1.90  0.00E+00
  5 VAL  HB      6 TRP  H       4.46  0.00E+00
  5 VAL  QG1     5 VAL  QG2     2.10  0.00E+00
  5 VAL  QG1     6 TRP  H       4.10  0.00E+00
  5 VAL  QG2     6 TRP  H       4.10  0.00E+00
  5 VAL  HG11    5 VAL  HG12    1.76  0.00E+00
  5 VAL  HG11    5 VAL  HG13    1.76  0.00E+00
  5 VAL  HG11    5 VAL  HG21    4.19  0.00E+00
  5 VAL  HG11    5 VAL  HG22    4.25  0.00E+00
  5 VAL  HG11    5 VAL  HG23    3.98  0.00E+00
  5 VAL  HG12    5 VAL  HG13    1.76  0.00E+00
  5 VAL  HG12    5 VAL  HG21    4.24  0.00E+00
  5 VAL  HG12    5 VAL  HG22    4.24  0.00E+00
  5 VAL  HG12    5 VAL  HG23    4.06  0.00E+00
  5 VAL  HG13    5 VAL  HG21    3.98  0.00E+00
  5 VAL  HG13    5 VAL  HG22    4.25  0.00E+00
  5 VAL  HG13    5 VAL  HG23    4.25  0.00E+00
  5 VAL  HG21    5 VAL  HG22    1.76  0.00E+00
  5 VAL  HG21    5 VAL  HG23    1.76  0.00E+00
  5 VAL  HG22    5 VAL  HG23    1.76  0.00E+00
  5 VAL  QQG     6 TRP  H       3.55  0.00E+00
  5 VAL  QQG     6 TRP  HA      4.82  0.00E+00
  5 VAL  QQG     6 TRP  QB      4.53  0.00E+00
  6 TRP  H       6 TRP  HA      2.95  0.00E+00
  6 TRP  H       6 TRP  HB2     4.03  0.00E+00
  6 TRP  H       6 TRP  HB3     4.03  0.00E+00
  6 TRP  H       6 TRP  QB      3.36  0.00E+00
  6 TRP  H       6 TRP  HD1     5.93  0.00E+00
  6 TRP  H       6 TRP  HE3     5.85  0.00E+00
  6 TRP  H       6 TRP  HE1     7.54  0.00E+00
  6 TRP  H       6 TRP  HZ3     7.78  0.00E+00
  6 TRP  H       6 TRP  HZ2     8.74  0.00E+00
  6 TRP  H       7 ASP  H       4.63  0.00E+00
  6 TRP  HA      6 TRP  HB2     3.02  0.00E+00
  6 TRP  HA      6 TRP  HB3     3.02  0.00E+00
  6 TRP  HA      6 TRP  QB      2.54  0.00E+00
  6 TRP  HA      6 TRP  HD1     4.52  0.00E+00
  6 TRP  HA      6 TRP  HE3     4.97  0.00E+00
  6 TRP  HA      6 TRP  HE1     6.38  0.00E+00
  6 TRP  HA      6 TRP  HZ3     7.03  0.00E+00
  6 TRP  HA      6 TRP  HZ2     7.77  0.00E+00
  6 TRP  HA      6 TRP  HH2     8.27  0.00E+00
  6 TRP  HA      7 ASP  H       3.57  0.00E+00
  6 TRP  HB2     6 TRP  HB3     1.76  0.00E+00
  6 TRP  HB2     6 TRP  HD1     3.86  0.00E+00
  6 TRP  HB2     6 TRP  HE3     4.22  0.00E+00
  6 TRP  HB2     6 TRP  HE1     5.27  0.00E+00
  6 TRP  HB2     6 TRP  HZ3     6.44  0.00E+00
  6 TRP  HB2     6 TRP  HZ2     6.51  0.00E+00
  6 TRP  HB2     6 TRP  HH2     7.32  0.00E+00
  6 TRP  HB2     7 ASP  H       4.37  0.00E+00
  6 TRP  HB3     6 TRP  HD1     3.86  0.00E+00
  6 TRP  HB3     6 TRP  HE3     4.22  0.00E+00
  6 TRP  HB3     6 TRP  HE1     5.27  0.00E+00
  6 TRP  HB3     6 TRP  HZ3     6.44  0.00E+00
  6 TRP  HB3     6 TRP  HZ2     6.51  0.00E+00
  6 TRP  HB3     6 TRP  HH2     7.32  0.00E+00
  6 TRP  HB3     7 ASP  H       4.37  0.00E+00
  6 TRP  QB      6 TRP  HD1     3.00  0.00E+00
  6 TRP  QB      6 TRP  HE3     3.07  0.00E+00
  6 TRP  QB      6 TRP  HE1     4.54  0.00E+00
  6 TRP  QB      6 TRP  HZ3     5.17  0.00E+00
  6 TRP  QB      6 TRP  HZ2     5.68  0.00E+00
  6 TRP  QB      6 TRP  HH2     6.16  0.00E+00
  6 TRP  QB      7 ASP  H       4.01  0.00E+00
  6 TRP  HD1     6 TRP  HE3     5.11  0.00E+00
  6 TRP  HD1     6 TRP  HE1     2.57  0.00E+00
  6 TRP  HD1     6 TRP  HZ3     6.65  0.00E+00
  6 TRP  HD1     6 TRP  HZ2     5.04  0.00E+00
  6 TRP  HD1     6 TRP  HH2     6.62  0.00E+00
  6 TRP  HE3     6 TRP  HE1     5.35  0.00E+00
  6 TRP  HE3     6 TRP  HZ3     2.46  0.00E+00
  6 TRP  HE3     6 TRP  HZ2     4.99  0.00E+00
  6 TRP  HE3     6 TRP  HH2     4.27  0.00E+00
  6 TRP  HE1     6 TRP  HZ3     5.90  0.00E+00
  6 TRP  HE1     6 TRP  HZ2     2.82  0.00E+00
  6 TRP  HE1     6 TRP  HH2     4.97  0.00E+00
  6 TRP  HZ3     6 TRP  HZ2     4.27  0.00E+00
  6 TRP  HZ3     6 TRP  HH2     2.44  0.00E+00
  6 TRP  HZ2     6 TRP  HH2     2.46  0.00E+00
  7 ASP  H       7 ASP  HA      2.95  0.00E+00
  7 ASP  H       7 ASP  HB2     4.06  0.00E+00
  7 ASP  H       7 ASP  HB3     4.06  0.00E+00
  7 ASP  H       7 ASP  QB      3.40  0.00E+00
  7 ASP  H       8 GLY  H       4.65  0.00E+00
  7 ASP  HA      7 ASP  HB2     3.02  0.00E+00
  7 ASP  HA      7 ASP  HB3     3.02  0.00E+00
  7 ASP  HA      7 ASP  QB      2.52  0.00E+00
  7 ASP  HA      8 GLY  H       3.57  0.00E+00
  7 ASP  HA      8 GLY  HA2     4.82  0.00E+00
  7 ASP  HA      8 GLY  HA3     4.82  0.00E+00
  7 ASP  HA      8 GLY  QA      4.42  0.00E+00
  7 ASP  HB2     7 ASP  HB3     1.76  0.00E+00
  7 ASP  HB2     8 GLY  H       4.65  0.00E+00
  7 ASP  HB3     8 GLY  H       4.65  0.00E+00
  7 ASP  QB      8 GLY  H       4.03  0.00E+00
  7 ASP  QB      8 GLY  QA      4.53  0.00E+00
  8 GLY  H       8 GLY  HA2     2.90  0.00E+00
  8 GLY  H       8 GLY  HA3     2.90  0.00E+00
  8 GLY  H       8 GLY  QA      2.50  0.00E+00
  8 GLY  H       9 VAL  H       4.61  0.00E+00
  8 GLY  HA2     8 GLY  HA3     1.76  0.00E+00
  8 GLY  HA2     9 VAL  H       3.56  0.00E+00
  8 GLY  HA2     9 VAL  HA      4.85  0.00E+00
  8 GLY  HA2     9 VAL  QQG     4.68  0.00E+00
  8 GLY  HA3     9 VAL  H       3.56  0.00E+00
  8 GLY  HA3     9 VAL  HA      4.85  0.00E+00
  8 GLY  HA3     9 VAL  QQG     4.68  0.00E+00
  8 GLY  QA      9 VAL  H       2.87  0.00E+00
  8 GLY  QA      9 VAL  HA      4.50  0.00E+00
  8 GLY  QA      9 VAL  QQG     4.02  0.00E+00
  9 VAL  H       9 VAL  HA      2.95  0.00E+00
  9 VAL  H       9 VAL  HB      3.85  0.00E+00
  9 VAL  H       9 VAL  QG1     4.02  0.00E+00
  9 VAL  H       9 VAL  QG2     4.02  0.00E+00
  9 VAL  H       9 VAL  HG11    4.93  0.00E+00
  9 VAL  H       9 VAL  HG12    5.31  0.00E+00
  9 VAL  H       9 VAL  HG13    5.31  0.00E+00
  9 VAL  H       9 VAL  HG21    5.13  0.00E+00
  9 VAL  H       9 VAL  HG22    5.26  0.00E+00
  9 VAL  H       9 VAL  HG23    5.16  0.00E+00
  9 VAL  H       9 VAL  QQG     2.80  0.00E+00
  9 VAL  HA      9 VAL  HB      3.02  0.00E+00
  9 VAL  HA      9 VAL  QG1     3.20  0.00E+00
  9 VAL  HA      9 VAL  QG2     3.20  0.00E+00
  9 VAL  HA      9 VAL  HG11    4.25  0.00E+00
  9 VAL  HA      9 VAL  HG12    4.26  0.00E+00
  9 VAL  HA      9 VAL  HG13    4.25  0.00E+00
  9 VAL  HA      9 VAL  HG21    4.25  0.00E+00
  9 VAL  HA      9 VAL  HG22    4.25  0.00E+00
  9 VAL  HA      9 VAL  HG23    4.07  0.00E+00
  9 VAL  HA      9 VAL  QQG     2.34  0.00E+00
  9 VAL  HB      9 VAL  QG1     2.13  0.00E+00
  9 VAL  HB      9 VAL  QG2     2.13  0.00E+00
  9 VAL  HB      9 VAL  HG11    3.02  0.00E+00
  9 VAL  HB      9 VAL  HG12    3.02  0.00E+00
  9 VAL  HB      9 VAL  HG13    3.02  0.00E+00
  9 VAL  HB      9 VAL  HG21    3.02  0.00E+00
  9 VAL  HB      9 VAL  HG22    3.02  0.00E+00
  9 VAL  HB      9 VAL  HG23    3.02  0.00E+00
  9 VAL  HB      9 VAL  QQG     1.90  0.00E+00
  9 VAL  QG1     9 VAL  QG2     2.09  0.00E+00
  9 VAL  HG11    9 VAL  HG12    1.76  0.00E+00
  9 VAL  HG11    9 VAL  HG13    1.76  0.00E+00
  9 VAL  HG11    9 VAL  HG21    4.24  0.00E+00
  9 VAL  HG11    9 VAL  HG22    4.21  0.00E+00
  9 VAL  HG11    9 VAL  HG23    4.21  0.00E+00
  9 VAL  HG12    9 VAL  HG13    1.76  0.00E+00
  9 VAL  HG12    9 VAL  HG21    4.10  0.00E+00
  9 VAL  HG12    9 VAL  HG22    4.25  0.00E+00
  9 VAL  HG12    9 VAL  HG23    4.22  0.00E+00
  9 VAL  HG13    9 VAL  HG21    4.24  0.00E+00
  9 VAL  HG13    9 VAL  HG22    4.25  0.00E+00
  9 VAL  HG13    9 VAL  HG23    4.21  0.00E+00
  9 VAL  HG21    9 VAL  HG22    1.76  0.00E+00
  9 VAL  HG21    9 VAL  HG23    1.76  0.00E+00
  9 VAL  HG22    9 VAL  HG23    1.76  0.00E+00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   VAL   1           HA       VAL   1   1.395   0.055  -2.064
    2    HB   VAL   1           HB       VAL   1   2.447   2.110  -1.192
    3    H1   VAL   1           1H       VAL   1   1.807   0.001   0.856
    4   HG11  VAL   1          1HG1      VAL   1   4.981   0.712  -0.588
    5   HG12  VAL   1          2HG1      VAL   1   4.282   2.162   0.135
    6   HG13  VAL   1          3HG1      VAL   1   3.693   0.568   0.608
    7   HG21  VAL   1          3HG2      VAL   1   4.388   0.447  -2.792
    8   HG22  VAL   1          1HG2      VAL   1   2.954   1.228  -3.459
    9   HG23  VAL   1          2HG2      VAL   1   4.253   2.206  -2.776
   10    H    ASP   2           H        ASP   2   2.647  -1.273  -3.359
   11    HA   ASP   2           HA       ASP   2   3.990  -3.468  -1.938
   12    HB2  ASP   2           1HB      ASP   2   3.668  -4.733  -4.076
   13    HB3  ASP   2           2HB      ASP   2   2.165  -4.247  -3.297
   14    H    ILE   3           H        ILE   3   6.109  -3.085  -1.784
   15    HA   ILE   3           HA       ILE   3   7.510  -1.979  -4.124
   16    HB   ILE   3           HB       ILE   3   9.364  -1.481  -2.524
   17   HG12  ILE   3          1HG1      ILE   3   7.404  -1.848  -0.288
   18   HG13  ILE   3          2HG1      ILE   3   8.338  -3.230  -0.850
   19   HG21  ILE   3          1HG2      ILE   3   6.651  -0.250  -2.251
   20   HG22  ILE   3          2HG2      ILE   3   8.008   0.353  -1.302
   21   HG23  ILE   3          3HG2      ILE   3   8.086   0.376  -3.063
   22   HD11  ILE   3          3HD1      ILE   3   9.200  -0.830   0.636
   23   HD12  ILE   3          1HD1      ILE   3   9.738  -2.504   0.765
   24   HD13  ILE   3          2HD1      ILE   3  10.326  -1.488  -0.551
   25    H    HIS   4           H        HIS   4   6.727  -4.778  -3.814
   26    HA   HIS   4           HA       HIS   4   9.390  -5.954  -4.123
   27    HD1  HIS   4           HD1      HIS   4  10.044  -8.147  -4.474
   28    HD2  HIS   4           HD2      HIS   4   9.504  -8.430  -0.364
   29    HE1  HIS   4           HE1      HIS   4  11.827  -9.727  -3.669
   30    HB2  HIS   4           1HB      HIS   4   8.201  -6.362  -1.792
   31    HB3  HIS   4           2HB      HIS   4   7.322  -7.582  -2.710
   32    H    VAL   5           H        VAL   5   9.506  -6.935  -6.023
   33    HA   VAL   5           HA       VAL   5   7.263  -7.321  -7.699
   34    HB   VAL   5           HB       VAL   5   8.773  -8.364  -9.263
   35   HG11  VAL   5          1HG1      VAL   5  10.499  -6.287  -7.989
   36   HG12  VAL   5          2HG1      VAL   5  10.114  -6.539  -9.693
   37   HG13  VAL   5          3HG1      VAL   5   8.911  -5.839  -8.610
   38   HG21  VAL   5          3HG2      VAL   5  10.460  -8.754  -6.837
   39   HG22  VAL   5          1HG2      VAL   5  10.093  -9.875  -8.148
   40   HG23  VAL   5          2HG2      VAL   5  11.247  -8.566  -8.404
   41    H    TRP   6           H        TRP   6   7.424  -9.708  -8.902
   42    HA   TRP   6           HA       TRP   6   6.196 -11.455  -6.980
   43    HD1  TRP   6           HD1      TRP   6   3.793 -13.569  -8.832
   44    HE1  TRP   6           HE1      TRP   6   1.581 -12.256  -8.933
   45    HE3  TRP   6           HE3      TRP   6   5.676  -8.851  -9.402
   46    HZ2  TRP   6           HZ2      TRP   6   0.746  -9.575  -9.216
   47    HZ3  TRP   6           HZ3      TRP   6   4.103  -6.967  -9.581
   48    HH2  TRP   6           HH2      TRP   6   1.690  -7.323  -9.490
   49    HB2  TRP   6           1HB      TRP   6   6.607 -11.470  -9.934
   50    HB3  TRP   6           2HB      TRP   6   6.273 -13.006  -9.138
   51    H    ASP   7           H        ASP   7   7.404 -12.596  -5.617
   52    HA   ASP   7           HA       ASP   7  10.105 -13.191  -5.875
   53    HB2  ASP   7           1HB      ASP   7   8.492 -13.374  -3.825
   54    HB3  ASP   7           2HB      ASP   7   8.276 -15.034  -4.375
   55    H    GLY   8           H        GLY   8  11.222 -14.625  -7.031
   56    HA2  GLY   8           1HA      GLY   8  11.717 -16.604  -8.138
   57    HA3  GLY   8           2HA      GLY   8  10.101 -17.183  -7.762
   58    H    VAL   9           H        VAL   9  10.358 -14.085  -9.234
   59    HA   VAL   9           HA       VAL   9   9.820 -15.221 -11.889
   60    HB   VAL   9           HB       VAL   9   8.181 -13.033 -10.602
   61   HG11  VAL   9          1HG1      VAL   9   8.190 -14.204 -13.370
   62   HG12  VAL   9          2HG1      VAL   9   6.790 -13.358 -12.708
   63   HG13  VAL   9          3HG1      VAL   9   8.326 -12.512 -12.892
   64   HG21  VAL   9          3HG2      VAL   9   7.511 -15.888 -11.300
   65   HG22  VAL   9          1HG2      VAL   9   7.557 -15.163  -9.693
   66   HG23  VAL   9          2HG2      VAL   9   6.319 -14.670 -10.848
  Start of MODEL    2
    1    HA   VAL   1           HA       VAL   1   2.509  -0.030  -3.430
    2    HB   VAL   1           HB       VAL   1   4.252  -0.541  -1.762
    3    H1   VAL   1           1H       VAL   1   0.657  -1.063  -1.769
    4   HG11  VAL   1          1HG1      VAL   1   2.556   1.292  -1.463
    5   HG12  VAL   1          2HG1      VAL   1   1.678   0.204  -0.387
    6   HG13  VAL   1          3HG1      VAL   1   3.315   0.719   0.022
    7   HG21  VAL   1          3HG2      VAL   1   4.117  -2.466  -0.650
    8   HG22  VAL   1          1HG2      VAL   1   2.836  -1.736   0.318
    9   HG23  VAL   1          2HG2      VAL   1   2.430  -2.686  -1.111
   10    H    ASP   2           H        ASP   2   4.453  -0.731  -4.415
   11    HA   ASP   2           HA       ASP   2   4.501  -3.607  -5.063
   12    HB2  ASP   2           1HB      ASP   2   5.536  -2.874  -7.256
   13    HB3  ASP   2           2HB      ASP   2   3.836  -2.467  -7.043
   14    H    ILE   3           H        ILE   3   5.869  -2.603  -2.859
   15    HA   ILE   3           HA       ILE   3   8.661  -2.377  -3.718
   16    HB   ILE   3           HB       ILE   3   9.140  -1.827  -1.355
   17   HG12  ILE   3          1HG1      ILE   3   6.179  -1.618  -0.891
   18   HG13  ILE   3          2HG1      ILE   3   7.022  -3.133  -0.590
   19   HG21  ILE   3          1HG2      ILE   3   7.079  -0.204  -2.821
   20   HG22  ILE   3          2HG2      ILE   3   7.860   0.362  -1.345
   21   HG23  ILE   3          3HG2      ILE   3   8.828   0.023  -2.780
   22   HD11  ILE   3          3HD1      ILE   3   7.991  -2.367   1.279
   23   HD12  ILE   3          1HD1      ILE   3   8.251  -0.755   0.614
   24   HD13  ILE   3          2HD1      ILE   3   6.667  -1.203   1.249
   25    H    HIS   4           H        HIS   4   7.258  -4.887  -3.956
   26    HA   HIS   4           HA       HIS   4   9.193  -6.600  -2.799
   27    HD1  HIS   4           HD1      HIS   4   8.212  -9.448  -2.331
   28    HD2  HIS   4           HD2      HIS   4   8.671  -7.278   1.182
   29    HE1  HIS   4           HE1      HIS   4   9.411 -10.985  -0.743
   30    HB2  HIS   4           1HB      HIS   4   7.508  -5.994  -0.880
   31    HB3  HIS   4           2HB      HIS   4   6.466  -7.159  -1.692
   32    H    VAL   5           H        VAL   5   9.263  -8.524  -3.854
   33    HA   VAL   5           HA       VAL   5   7.016  -9.146  -5.658
   34    HB   VAL   5           HB       VAL   5   8.660 -10.049  -7.269
   35   HG11  VAL   5          1HG1      VAL   5   8.293  -7.254  -6.575
   36   HG12  VAL   5          2HG1      VAL   5   9.798  -7.537  -7.453
   37   HG13  VAL   5          3HG1      VAL   5   8.259  -8.041  -8.153
   38   HG21  VAL   5          3HG2      VAL   5  10.666  -8.880  -5.347
   39   HG22  VAL   5          1HG2      VAL   5  10.496 -10.570  -5.821
   40   HG23  VAL   5          2HG2      VAL   5  11.046  -9.375  -6.996
   41    H    TRP   6           H        TRP   6   7.416 -11.515  -6.558
   42    HA   TRP   6           HA       TRP   6   8.327 -13.282  -4.411
   43    HD1  TRP   6           HD1      TRP   6   6.310 -16.470  -4.953
   44    HE1  TRP   6           HE1      TRP   6   6.246 -17.623  -2.652
   45    HE3  TRP   6           HE3      TRP   6   6.122 -12.322  -1.970
   46    HZ2  TRP   6           HZ2      TRP   6   6.131 -16.874   0.067
   47    HZ3  TRP   6           HZ3      TRP   6   6.037 -12.627   0.470
   48    HH2  TRP   6           HH2      TRP   6   6.041 -14.856   1.465
   49    HB2  TRP   6           1HB      TRP   6   5.727 -12.722  -4.456
   50    HB3  TRP   6           2HB      TRP   6   5.728 -13.963  -5.707
   51    H    ASP   7           H        ASP   7   9.787 -14.544  -5.346
   52    HA   ASP   7           HA       ASP   7  10.801 -15.973  -6.797
   53    HB2  ASP   7           1HB      ASP   7   8.519 -17.092  -6.613
   54    HB3  ASP   7           2HB      ASP   7   8.121 -16.312  -8.141
   55    H    GLY   8           H        GLY   8  10.427 -13.086  -7.419
   56    HA2  GLY   8           1HA      GLY   8  11.325 -11.767  -9.105
   57    HA3  GLY   8           2HA      GLY   8  11.458 -13.199 -10.114
   58    H    VAL   9           H        VAL   9   8.401 -12.606  -8.666
   59    HA   VAL   9           HA       VAL   9   7.281 -12.027 -11.298
   60    HB   VAL   9           HB       VAL   9   5.893 -12.677  -8.694
   61   HG11  VAL   9          1HG1      VAL   9   4.252 -11.555  -9.835
   62   HG12  VAL   9          2HG1      VAL   9   4.897 -11.996 -11.418
   63   HG13  VAL   9          3HG1      VAL   9   4.015 -13.187 -10.461
   64   HG21  VAL   9          3HG2      VAL   9   5.680 -14.576 -10.896
   65   HG22  VAL   9          1HG2      VAL   9   7.332 -14.366 -10.316
   66   HG23  VAL   9          2HG2      VAL   9   6.059 -14.851  -9.196
  Start of MODEL    3
    1    HA   VAL   1           HA       VAL   1   0.615  -0.163  -0.629
    2    HB   VAL   1           HB       VAL   1   1.483  -0.300  -2.947
    3    H1   VAL   1           1H       VAL   1   1.973   2.361  -0.119
    4   HG11  VAL   1          1HG1      VAL   1  -0.703   1.325  -1.996
    5   HG12  VAL   1          2HG1      VAL   1  -0.114   1.901  -3.557
    6   HG13  VAL   1          3HG1      VAL   1  -0.636   0.226  -3.373
    7   HG21  VAL   1          3HG2      VAL   1   1.803   2.636  -3.108
    8   HG22  VAL   1          1HG2      VAL   1   3.104   1.738  -2.326
    9   HG23  VAL   1          2HG2      VAL   1   2.638   1.353  -3.983
   10    H    ASP   2           H        ASP   2   2.335  -1.711  -1.718
   11    HA   ASP   2           HA       ASP   2   4.834  -1.376  -0.194
   12    HB2  ASP   2           1HB      ASP   2   3.154  -3.323   0.298
   13    HB3  ASP   2           2HB      ASP   2   3.859  -4.046  -1.145
   14    H    ILE   3           H        ILE   3   6.714  -2.602  -1.160
   15    HA   ILE   3           HA       ILE   3   6.804  -2.029  -4.035
   16    HB   ILE   3           HB       ILE   3   9.266  -2.138  -3.781
   17   HG12  ILE   3          1HG1      ILE   3   8.963  -2.044  -0.812
   18   HG13  ILE   3          2HG1      ILE   3   8.906  -3.614  -1.605
   19   HG21  ILE   3          1HG2      ILE   3   7.484  -0.173  -2.614
   20   HG22  ILE   3          2HG2      ILE   3   9.082  -0.144  -1.870
   21   HG23  ILE   3          3HG2      ILE   3   8.918   0.056  -3.615
   22   HD11  ILE   3          3HD1      ILE   3  11.157  -1.622  -1.704
   23   HD12  ILE   3          1HD1      ILE   3  11.141  -3.174  -0.866
   24   HD13  ILE   3          2HD1      ILE   3  11.100  -3.122  -2.629
   25    H    HIS   4           H        HIS   4   5.477  -4.368  -3.282
   26    HA   HIS   4           HA       HIS   4   6.956  -6.703  -3.171
   27    HD1  HIS   4           HD1      HIS   4   6.176  -8.945  -5.161
   28    HD2  HIS   4           HD2      HIS   4   3.601  -8.581  -1.921
   29    HE1  HIS   4           HE1      HIS   4   5.790 -11.291  -4.342
   30    HB2  HIS   4           1HB      HIS   4   4.371  -6.290  -3.104
   31    HB3  HIS   4           2HB      HIS   4   4.466  -6.586  -4.837
   32    H    VAL   5           H        VAL   5   8.222  -7.779  -4.545
   33    HA   VAL   5           HA       VAL   5   8.372  -6.815  -7.320
   34    HB   VAL   5           HB       VAL   5  10.619  -7.707  -7.409
   35   HG11  VAL   5          1HG1      VAL   5  11.711  -6.212  -5.887
   36   HG12  VAL   5          2HG1      VAL   5  10.221  -5.445  -6.439
   37   HG13  VAL   5          3HG1      VAL   5  10.297  -6.173  -4.834
   38   HG21  VAL   5          3HG2      VAL   5   9.975  -8.786  -4.677
   39   HG22  VAL   5          1HG2      VAL   5  10.514  -9.667  -6.107
   40   HG23  VAL   5          2HG2      VAL   5  11.631  -8.601  -5.256
   41    H    TRP   6           H        TRP   6   9.533  -8.784  -8.655
   42    HA   TRP   6           HA       TRP   6   7.449 -10.651  -9.068
   43    HD1  TRP   6           HD1      TRP   6   7.794 -12.000 -12.408
   44    HE1  TRP   6           HE1      TRP   6   6.657 -10.351 -14.025
   45    HE3  TRP   6           HE3      TRP   6   9.191  -7.605 -10.201
   46    HZ2  TRP   6           HZ2      TRP   6   6.389  -7.557 -14.326
   47    HZ3  TRP   6           HZ3      TRP   6   8.453  -5.489 -11.217
   48    HH2  TRP   6           HH2      TRP   6   7.081  -5.467 -13.236
   49    HB2  TRP   6           1HB      TRP   6  10.167 -10.199 -10.194
   50    HB3  TRP   6           2HB      TRP   6   9.441 -11.785 -10.441
   51    H    ASP   7           H        ASP   7   7.316 -12.838  -8.624
   52    HA   ASP   7           HA       ASP   7   8.260 -13.751  -6.184
   53    HB2  ASP   7           1HB      ASP   7   6.352 -14.686  -7.600
   54    HB3  ASP   7           2HB      ASP   7   7.584 -15.582  -8.483
   55    H    GLY   8           H        GLY   8   9.692 -14.002  -9.378
   56    HA2  GLY   8           1HA      GLY   8  12.060 -14.155  -9.656
   57    HA3  GLY   8           2HA      GLY   8  12.155 -14.988  -8.112
   58    H    VAL   9           H        VAL   9   9.679 -16.548  -9.172
   59    HA   VAL   9           HA       VAL   9  11.288 -18.620 -10.475
   60    HB   VAL   9           HB       VAL   9   8.503 -18.823  -9.319
   61   HG11  VAL   9          1HG1      VAL   9   8.933 -21.262  -9.437
   62   HG12  VAL   9          2HG1      VAL   9   8.871 -20.488 -11.022
   63   HG13  VAL   9          3HG1      VAL   9  10.426 -20.923 -10.312
   64   HG21  VAL   9          3HG2      VAL   9  10.085 -20.328  -7.711
   65   HG22  VAL   9          1HG2      VAL   9  11.177 -19.003  -8.113
   66   HG23  VAL   9          2HG2      VAL   9   9.615 -18.663  -7.368
  Start of MODEL    4
    1    HA   VAL   1           HA       VAL   1   1.349   0.690  -2.298
    2    HB   VAL   1           HB       VAL   1  -0.366  -1.049  -2.456
    3    H1   VAL   1           1H       VAL   1   1.851   0.155  -5.117
    4   HG11  VAL   1          1HG1      VAL   1  -1.285   1.001  -2.972
    5   HG12  VAL   1          2HG1      VAL   1  -0.323   1.182  -4.441
    6   HG13  VAL   1          3HG1      VAL   1  -1.688   0.065  -4.411
    7   HG21  VAL   1          3HG2      VAL   1  -0.683  -1.626  -5.112
    8   HG22  VAL   1          1HG2      VAL   1   1.070  -1.672  -4.923
    9   HG23  VAL   1          2HG2      VAL   1   0.047  -2.697  -3.917
   10    H    ASP   2           H        ASP   2   2.981  -1.624  -4.341
   11    HA   ASP   2           HA       ASP   2   3.890  -3.041  -1.922
   12    HB2  ASP   2           1HB      ASP   2   4.100  -5.080  -3.340
   13    HB3  ASP   2           2HB      ASP   2   2.438  -4.522  -3.164
   14    H    ILE   3           H        ILE   3   5.954  -2.611  -1.549
   15    HA   ILE   3           HA       ILE   3   7.705  -1.873  -3.770
   16    HB   ILE   3           HB       ILE   3   9.300  -1.161  -2.051
   17   HG12  ILE   3          1HG1      ILE   3   7.881  -1.100   0.316
   18   HG13  ILE   3          2HG1      ILE   3   7.479  -2.685  -0.336
   19   HG21  ILE   3          1HG2      ILE   3   6.855   0.019  -2.680
   20   HG22  ILE   3          2HG2      ILE   3   7.021   0.206  -0.935
   21   HG23  ILE   3          3HG2      ILE   3   8.280   0.813  -2.010
   22   HD11  ILE   3          3HD1      ILE   3   9.626  -2.192   1.191
   23   HD12  ILE   3          1HD1      ILE   3   9.548  -3.489  -0.002
   24   HD13  ILE   3          2HD1      ILE   3  10.327  -1.960  -0.411
   25    H    HIS   4           H        HIS   4   6.816  -4.661  -3.201
   26    HA   HIS   4           HA       HIS   4   9.463  -5.870  -3.309
   27    HD1  HIS   4           HD1      HIS   4   9.027  -9.182  -2.678
   28    HD2  HIS   4           HD2      HIS   4  10.782  -6.672   0.129
   29    HE1  HIS   4           HE1      HIS   4  11.082 -10.394  -1.883
   30    HB2  HIS   4           1HB      HIS   4   8.410  -5.877  -0.895
   31    HB3  HIS   4           2HB      HIS   4   7.453  -7.206  -1.541
   32    H    VAL   5           H        VAL   5   9.519  -7.872  -4.375
   33    HA   VAL   5           HA       VAL   5   6.993  -8.722  -5.626
   34    HB   VAL   5           HB       VAL   5   8.186  -9.166  -7.724
   35   HG11  VAL   5          1HG1      VAL   5   8.436  -6.326  -6.739
   36   HG12  VAL   5          2HG1      VAL   5   8.491  -6.825  -8.431
   37   HG13  VAL   5          3HG1      VAL   5   7.017  -7.057  -7.489
   38   HG21  VAL   5          3HG2      VAL   5  10.516  -7.995  -6.228
   39   HG22  VAL   5          1HG2      VAL   5  10.411  -9.550  -7.053
   40   HG23  VAL   5          2HG2      VAL   5  10.458  -8.056  -7.990
   41    H    TRP   6           H        TRP   6   6.846 -10.929  -6.179
   42    HA   TRP   6           HA       TRP   6   8.293 -12.663  -4.409
   43    HD1  TRP   6           HD1      TRP   6   6.443 -15.826  -4.004
   44    HE1  TRP   6           HE1      TRP   6   5.119 -15.558  -1.814
   45    HE3  TRP   6           HE3      TRP   6   5.260 -10.866  -4.373
   46    HZ2  TRP   6           HZ2      TRP   6   3.753 -13.514  -0.426
   47    HZ3  TRP   6           HZ3      TRP   6   3.942  -9.831  -2.572
   48    HH2  TRP   6           HH2      TRP   6   3.204 -11.130  -0.640
   49    HB2  TRP   6           1HB      TRP   6   5.951 -12.863  -6.178
   50    HB3  TRP   6           2HB      TRP   6   6.898 -14.343  -6.057
   51    H    ASP   7           H        ASP   7   9.668 -14.369  -4.963
   52    HA   ASP   7           HA       ASP   7  11.498 -13.846  -7.042
   53    HB2  ASP   7           1HB      ASP   7  11.069 -16.352  -5.402
   54    HB3  ASP   7           2HB      ASP   7  12.451 -16.073  -6.458
   55    H    GLY   8           H        GLY   8  11.209 -14.136  -9.146
   56    HA2  GLY   8           1HA      GLY   8  10.973 -15.762 -10.942
   57    HA3  GLY   8           2HA      GLY   8   9.661 -16.491 -10.027
   58    H    VAL   9           H        VAL   9   8.880 -13.540  -9.422
   59    HA   VAL   9           HA       VAL   9   7.479 -13.090 -11.978
   60    HB   VAL   9           HB       VAL   9   5.674 -12.015 -10.553
   61   HG11  VAL   9          1HG1      VAL   9   6.268 -14.915 -10.757
   62   HG12  VAL   9          2HG1      VAL   9   4.918 -14.421  -9.734
   63   HG13  VAL   9          3HG1      VAL   9   4.940 -13.980 -11.442
   64   HG21  VAL   9          3HG2      VAL   9   5.522 -12.647  -8.231
   65   HG22  VAL   9          1HG2      VAL   9   7.008 -13.588  -8.353
   66   HG23  VAL   9          2HG2      VAL   9   7.061 -11.832  -8.506
  Start of MODEL    5
    1    HA   VAL   1           HA       VAL   1   0.418  -2.687  -3.064
    2    HB   VAL   1           HB       VAL   1   1.813  -1.250  -4.563
    3    H1   VAL   1           1H       VAL   1   0.206  -0.505  -1.129
    4   HG11  VAL   1          1HG1      VAL   1  -1.109  -0.924  -4.162
    5   HG12  VAL   1          2HG1      VAL   1  -0.312   0.148  -5.315
    6   HG13  VAL   1          3HG1      VAL   1  -0.222  -1.601  -5.526
    7   HG21  VAL   1          3HG2      VAL   1   0.539   1.163  -3.374
    8   HG22  VAL   1          1HG2      VAL   1   1.988   0.509  -2.611
    9   HG23  VAL   1          2HG2      VAL   1   2.032   1.016  -4.300
   10    H    ASP   2           H        ASP   2   2.851  -2.875  -3.738
   11    HA   ASP   2           HA       ASP   2   4.622  -2.231  -1.499
   12    HB2  ASP   2           1HB      ASP   2   4.147  -5.015  -2.577
   13    HB3  ASP   2           2HB      ASP   2   5.509  -4.583  -1.548
   14    H    ILE   3           H        ILE   3   6.871  -2.343  -2.017
   15    HA   ILE   3           HA       ILE   3   7.378  -2.142  -4.911
   16    HB   ILE   3           HB       ILE   3   9.357  -0.766  -4.291
   17   HG12  ILE   3          1HG1      ILE   3   8.163  -0.441  -1.560
   18   HG13  ILE   3          2HG1      ILE   3   9.280  -1.766  -1.871
   19   HG21  ILE   3          1HG2      ILE   3   6.552   0.038  -3.736
   20   HG22  ILE   3          2HG2      ILE   3   7.839   1.173  -3.330
   21   HG23  ILE   3          3HG2      ILE   3   7.663   0.596  -4.987
   22   HD11  ILE   3          3HD1      ILE   3   9.775   1.157  -1.775
   23   HD12  ILE   3          1HD1      ILE   3  10.725  -0.178  -1.122
   24   HD13  ILE   3          2HD1      ILE   3  10.766   0.170  -2.850
   25    H    HIS   4           H        HIS   4   7.359  -4.670  -3.855
   26    HA   HIS   4           HA       HIS   4  10.210  -5.378  -3.972
   27    HD1  HIS   4           HD1      HIS   4  11.525  -7.005  -3.719
   28    HD2  HIS   4           HD2      HIS   4   9.491  -8.613  -0.474
   29    HE1  HIS   4           HE1      HIS   4  12.889  -8.987  -2.986
   30    HB2  HIS   4           1HB      HIS   4   9.360  -5.561  -1.634
   31    HB3  HIS   4           2HB      HIS   4   8.177  -6.739  -2.193
   32    H    VAL   5           H        VAL   5  10.676  -6.834  -5.489
   33    HA   VAL   5           HA       VAL   5   8.699  -7.817  -7.254
   34    HB   VAL   5           HB       VAL   5  10.556  -9.207  -8.203
   35   HG11  VAL   5          1HG1      VAL   5  11.422  -7.431  -9.342
   36   HG12  VAL   5          2HG1      VAL   5  10.045  -6.635  -8.577
   37   HG13  VAL   5          3HG1      VAL   5  11.659  -6.468  -7.884
   38   HG21  VAL   5          3HG2      VAL   5  11.713  -8.667  -5.658
   39   HG22  VAL   5          1HG2      VAL   5  12.333  -9.682  -6.960
   40   HG23  VAL   5          2HG2      VAL   5  12.748  -7.969  -6.904
   41    H    TRP   6           H        TRP   6   7.353  -9.455  -6.962
   42    HA   TRP   6           HA       TRP   6   7.454 -11.209  -4.770
   43    HD1  TRP   6           HD1      TRP   6   4.222 -12.731  -4.380
   44    HE1  TRP   6           HE1      TRP   6   2.733 -11.083  -3.079
   45    HE3  TRP   6           HE3      TRP   6   5.808  -8.356  -6.498
   46    HZ2  TRP   6           HZ2      TRP   6   2.289  -8.298  -2.966
   47    HZ3  TRP   6           HZ3      TRP   6   4.800  -6.244  -5.738
   48    HH2  TRP   6           HH2      TRP   6   3.076  -6.218  -4.009
   49    HB2  TRP   6           1HB      TRP   6   5.832 -11.005  -7.256
   50    HB3  TRP   6           2HB      TRP   6   5.812 -12.546  -6.403
   51    H    ASP   7           H        ASP   7   8.499 -13.062  -4.435
   52    HA   ASP   7           HA       ASP   7  10.549 -13.992  -6.034
   53    HB2  ASP   7           1HB      ASP   7  10.174 -14.576  -3.628
   54    HB3  ASP   7           2HB      ASP   7   8.910 -15.690  -4.144
   55    H    GLY   8           H        GLY   8  10.422 -14.697  -8.060
   56    HA2  GLY   8           1HA      GLY   8   9.896 -16.621  -9.456
   57    HA3  GLY   8           2HA      GLY   8   8.306 -16.651  -8.708
   58    H    VAL   9           H        VAL   9   9.671 -13.596  -9.571
   59    HA   VAL   9           HA       VAL   9   7.721 -13.395 -11.768
   60    HB   VAL   9           HB       VAL   9   7.855 -10.947 -11.448
   61   HG11  VAL   9          1HG1      VAL   9   6.017 -11.859 -10.375
   62   HG12  VAL   9          2HG1      VAL   9   7.006 -12.738  -9.207
   63   HG13  VAL   9          3HG1      VAL   9   6.823 -10.989  -9.069
   64   HG21  VAL   9          3HG2      VAL   9   8.918 -10.712  -8.877
   65   HG22  VAL   9          1HG2      VAL   9  10.075 -11.698  -9.771
   66   HG23  VAL   9          2HG2      VAL   9   9.617 -10.107 -10.379
  Start of MODEL    6
    1    HA   VAL   1           HA       VAL   1   4.272   2.225  -2.119
    2    HB   VAL   1           HB       VAL   1   3.420   2.968   0.072
    3    H1   VAL   1           1H       VAL   1   2.159   1.066  -0.838
    4   HG11  VAL   1          1HG1      VAL   1   5.086   0.774   1.285
    5   HG12  VAL   1          2HG1      VAL   1   3.992   1.889   2.106
    6   HG13  VAL   1          3HG1      VAL   1   3.345   0.641   1.040
    7   HG21  VAL   1          3HG2      VAL   1   6.286   2.553   0.643
    8   HG22  VAL   1          1HG2      VAL   1   5.901   3.282  -0.916
    9   HG23  VAL   1          2HG2      VAL   1   5.345   4.043   0.575
   10    H    ASP   2           H        ASP   2   4.141  -0.942  -0.707
   11    HA   ASP   2           HA       ASP   2   6.979  -1.340  -1.398
   12    HB2  ASP   2           1HB      ASP   2   6.177  -1.509   1.093
   13    HB3  ASP   2           2HB      ASP   2   5.575  -3.087   0.590
   14    H    ILE   3           H        ILE   3   4.833  -1.605  -3.238
   15    HA   ILE   3           HA       ILE   3   3.796  -4.151  -3.568
   16    HB   ILE   3           HB       ILE   3   3.819  -3.627  -6.046
   17   HG12  ILE   3          1HG1      ILE   3   4.418  -0.813  -5.610
   18   HG13  ILE   3          2HG1      ILE   3   5.814  -1.837  -5.292
   19   HG21  ILE   3          1HG2      ILE   3   2.437  -2.279  -3.881
   20   HG22  ILE   3          2HG2      ILE   3   2.487  -1.307  -5.351
   21   HG23  ILE   3          3HG2      ILE   3   1.805  -2.933  -5.392
   22   HD11  ILE   3          3HD1      ILE   3   4.198  -1.828  -7.830
   23   HD12  ILE   3          1HD1      ILE   3   5.758  -1.041  -7.598
   24   HD13  ILE   3          2HD1      ILE   3   5.635  -2.798  -7.510
   25    H    HIS   4           H        HIS   4   4.922  -5.984  -3.469
   26    HA   HIS   4           HA       HIS   4   7.529  -6.122  -4.820
   27    HD1  HIS   4           HD1      HIS   4   8.296  -9.541  -4.575
   28    HD2  HIS   4           HD2      HIS   4   9.855  -6.664  -2.016
   29    HE1  HIS   4           HE1      HIS   4  10.760 -10.025  -4.442
   30    HB2  HIS   4           1HB      HIS   4   7.157  -6.723  -2.298
   31    HB3  HIS   4           2HB      HIS   4   6.533  -8.238  -2.945
   32    H    VAL   5           H        VAL   5   7.822  -7.410  -6.537
   33    HA   VAL   5           HA       VAL   5   5.607  -8.554  -7.871
   34    HB   VAL   5           HB       VAL   5   7.180  -9.377  -9.503
   35   HG11  VAL   5          1HG1      VAL   5   6.721  -6.829  -9.100
   36   HG12  VAL   5          2HG1      VAL   5   8.436  -6.799  -8.686
   37   HG13  VAL   5          3HG1      VAL   5   7.922  -7.347 -10.282
   38   HG21  VAL   5          3HG2      VAL   5   9.124  -9.049  -7.273
   39   HG22  VAL   5          1HG2      VAL   5   8.961 -10.354  -8.448
   40   HG23  VAL   5          2HG2      VAL   5   9.694  -8.823  -8.927
   41    H    TRP   6           H        TRP   6   6.272 -10.958  -8.844
   42    HA   TRP   6           HA       TRP   6   5.739 -12.696  -6.618
   43    HD1  TRP   6           HD1      TRP   6   3.829 -15.606  -8.006
   44    HE1  TRP   6           HE1      TRP   6   1.346 -14.936  -7.885
   45    HE3  TRP   6           HE3      TRP   6   4.282 -10.622  -9.050
   46    HZ2  TRP   6           HZ2      TRP   6  -0.213 -12.603  -8.192
   47    HZ3  TRP   6           HZ3      TRP   6   2.247  -9.242  -9.117
   48    HH2  TRP   6           HH2      TRP   6   0.047 -10.213  -8.698
   49    HB2  TRP   6           1HB      TRP   6   5.825 -12.973  -9.583
   50    HB3  TRP   6           2HB      TRP   6   6.016 -14.435  -8.620
   51    H    ASP   7           H        ASP   7   7.057 -14.189  -5.687
   52    HA   ASP   7           HA       ASP   7   9.822 -13.777  -5.683
   53    HB2  ASP   7           1HB      ASP   7   8.051 -15.978  -4.672
   54    HB3  ASP   7           2HB      ASP   7   9.802 -16.155  -4.601
   55    H    GLY   8           H        GLY   8  11.350 -14.330  -7.085
   56    HA2  GLY   8           1HA      GLY   8  12.493 -16.070  -8.320
   57    HA3  GLY   8           2HA      GLY   8  10.920 -16.719  -8.760
   58    H    VAL   9           H        VAL   9  11.345 -13.298  -8.858
   59    HA   VAL   9           HA       VAL   9  11.579 -13.418 -11.795
   60    HB   VAL   9           HB       VAL   9   9.953 -11.446 -10.183
   61   HG11  VAL   9          1HG1      VAL   9  10.215 -10.108 -11.945
   62   HG12  VAL   9          2HG1      VAL   9  10.993 -11.381 -12.888
   63   HG13  VAL   9          3HG1      VAL   9   9.234 -11.259 -12.851
   64   HG21  VAL   9          3HG2      VAL   9   9.033 -13.606 -12.077
   65   HG22  VAL   9          1HG2      VAL   9   8.961 -13.702 -10.317
   66   HG23  VAL   9          2HG2      VAL   9   8.008 -12.490 -11.174
  Start of MODEL    7
    1    HA   VAL   1           HA       VAL   1   2.823   1.221   0.496
    2    HB   VAL   1           HB       VAL   1   0.428   1.734   0.144
    3    H1   VAL   1           1H       VAL   1   1.846   1.262  -2.271
    4   HG11  VAL   1          1HG1      VAL   1   0.334  -1.067  -0.969
    5   HG12  VAL   1          2HG1      VAL   1  -1.083  -0.105  -0.543
    6   HG13  VAL   1          3HG1      VAL   1  -0.008   0.430  -1.836
    7   HG21  VAL   1          3HG2      VAL   1   1.172   0.724   2.236
    8   HG22  VAL   1          1HG2      VAL   1  -0.441   0.158   1.803
    9   HG23  VAL   1          2HG2      VAL   1   0.958  -0.885   1.547
   10    H    ASP   2           H        ASP   2   2.429  -0.750  -2.334
   11    HA   ASP   2           HA       ASP   2   3.719  -2.975  -0.912
   12    HB2  ASP   2           1HB      ASP   2   1.328  -3.506  -1.148
   13    HB3  ASP   2           2HB      ASP   2   1.443  -3.252  -2.887
   14    H    ILE   3           H        ILE   3   5.678  -2.219  -1.851
   15    HA   ILE   3           HA       ILE   3   5.879  -2.405  -4.767
   16    HB   ILE   3           HB       ILE   3   8.092  -1.398  -4.524
   17   HG12  ILE   3          1HG1      ILE   3   7.488  -1.273  -1.562
   18   HG13  ILE   3          2HG1      ILE   3   8.603  -2.416  -2.303
   19   HG21  ILE   3          1HG2      ILE   3   5.639  -0.169  -4.068
   20   HG22  ILE   3          2HG2      ILE   3   6.714   0.504  -2.844
   21   HG23  ILE   3          3HG2      ILE   3   7.143   0.614  -4.551
   22   HD11  ILE   3          3HD1      ILE   3   8.889   0.576  -2.414
   23   HD12  ILE   3          1HD1      ILE   3   9.725  -0.482  -1.278
   24   HD13  ILE   3          2HD1      ILE   3  10.040  -0.621  -3.008
   25    H    HIS   4           H        HIS   4   5.561  -4.772  -3.086
   26    HA   HIS   4           HA       HIS   4   7.929  -6.148  -2.607
   27    HD1  HIS   4           HD1      HIS   4   8.661  -8.239  -2.270
   28    HD2  HIS   4           HD2      HIS   4   5.012  -9.989  -3.209
   29    HE1  HIS   4           HE1      HIS   4   9.090 -10.717  -2.291
   30    HB2  HIS   4           1HB      HIS   4   5.769  -6.966  -1.827
   31    HB3  HIS   4           2HB      HIS   4   5.248  -7.242  -3.487
   32    H    VAL   5           H        VAL   5   9.358  -7.241  -3.835
   33    HA   VAL   5           HA       VAL   5   9.488  -6.744  -6.615
   34    HB   VAL   5           HB       VAL   5  11.437  -8.165  -6.647
   35   HG11  VAL   5          1HG1      VAL   5  12.793  -6.904  -5.273
   36   HG12  VAL   5          2HG1      VAL   5  11.361  -5.880  -5.391
   37   HG13  VAL   5          3HG1      VAL   5  11.618  -6.878  -3.959
   38   HG21  VAL   5          3HG2      VAL   5  10.405  -9.143  -3.999
   39   HG22  VAL   5          1HG2      VAL   5  10.781 -10.080  -5.445
   40   HG23  VAL   5          2HG2      VAL   5  12.082  -9.361  -4.497
   41    H    TRP   6           H        TRP   6  10.206  -8.976  -7.908
   42    HA   TRP   6           HA       TRP   6   7.676 -10.318  -8.269
   43    HD1  TRP   6           HD1      TRP   6   8.487 -13.162 -10.688
   44    HE1  TRP   6           HE1      TRP   6   6.541 -13.137 -12.372
   45    HE3  TRP   6           HE3      TRP   6   7.601  -8.129 -10.828
   46    HZ2  TRP   6           HZ2      TRP   6   4.854 -11.235 -13.598
   47    HZ3  TRP   6           HZ3      TRP   6   5.803  -7.288 -12.283
   48    HH2  TRP   6           HH2      TRP   6   4.459  -8.811 -13.639
   49    HB2  TRP   6           1HB      TRP   6   9.584  -9.578 -10.020
   50    HB3  TRP   6           2HB      TRP   6  10.072 -11.249  -9.749
   51    H    ASP   7           H        ASP   7   7.288 -12.529  -8.062
   52    HA   ASP   7           HA       ASP   7   8.304 -13.819  -5.842
   53    HB2  ASP   7           1HB      ASP   7   6.944 -14.895  -8.308
   54    HB3  ASP   7           2HB      ASP   7   7.386 -15.933  -6.956
   55    H    GLY   8           H        GLY   8   9.483 -13.828  -9.141
   56    HA2  GLY   8           1HA      GLY   8  11.748 -14.245  -9.692
   57    HA3  GLY   8           2HA      GLY   8  11.914 -15.169  -8.206
   58    H    VAL   9           H        VAL   9   9.131 -15.785 -10.128
   59    HA   VAL   9           HA       VAL   9  10.152 -18.447 -10.735
   60    HB   VAL   9           HB       VAL   9   7.847 -18.992 -11.364
   61   HG11  VAL   9          1HG1      VAL   9   8.551 -19.193  -9.022
   62   HG12  VAL   9          2HG1      VAL   9   8.001 -17.544  -8.722
   63   HG13  VAL   9          3HG1      VAL   9   6.839 -18.796  -9.160
   64   HG21  VAL   9          3HG2      VAL   9   6.425 -16.748 -10.406
   65   HG22  VAL   9          1HG2      VAL   9   7.612 -16.156 -11.569
   66   HG23  VAL   9          2HG2      VAL   9   6.456 -17.400 -12.045
  Start of MODEL    8
    1    HA   VAL   1           HA       VAL   1   0.876  -1.598  -0.485
    2    HB   VAL   1           HB       VAL   1   0.821  -0.380  -3.247
    3    H1   VAL   1           1H       VAL   1   2.067   0.853  -1.289
    4   HG11  VAL   1          1HG1      VAL   1  -1.527  -1.489  -3.101
    5   HG12  VAL   1          2HG1      VAL   1  -0.113  -2.483  -3.460
    6   HG13  VAL   1          3HG1      VAL   1  -0.788  -2.462  -1.830
    7   HG21  VAL   1          3HG2      VAL   1   0.164   1.304  -1.633
    8   HG22  VAL   1          1HG2      VAL   1  -1.252   0.738  -2.518
    9   HG23  VAL   1          2HG2      VAL   1  -0.957   0.175  -0.873
   10    H    ASP   2           H        ASP   2   2.821  -0.890  -3.394
   11    HA   ASP   2           HA       ASP   2   3.607  -3.715  -3.473
   12    HB2  ASP   2           1HB      ASP   2   2.621  -2.853  -5.528
   13    HB3  ASP   2           2HB      ASP   2   3.806  -1.551  -5.579
   14    H    ILE   3           H        ILE   3   5.035  -3.174  -1.590
   15    HA   ILE   3           HA       ILE   3   7.474  -1.739  -2.331
   16    HB   ILE   3           HB       ILE   3   8.106  -1.971   0.038
   17   HG12  ILE   3          1HG1      ILE   3   5.359  -3.135   0.493
   18   HG13  ILE   3          2HG1      ILE   3   6.797  -4.138   0.329
   19   HG21  ILE   3          1HG2      ILE   3   5.703  -0.813   0.765
   20   HG22  ILE   3          2HG2      ILE   3   7.099   0.016   0.079
   21   HG23  ILE   3          3HG2      ILE   3   5.798  -0.538  -0.974
   22   HD11  ILE   3          3HD1      ILE   3   7.350  -3.797   2.442
   23   HD12  ILE   3          1HD1      ILE   3   7.224  -2.048   2.257
   24   HD13  ILE   3          2HD1      ILE   3   5.792  -2.998   2.653
   25    H    HIS   4           H        HIS   4   6.968  -4.227  -3.613
   26    HA   HIS   4           HA       HIS   4   9.459  -5.500  -3.228
   27    HD1  HIS   4           HD1      HIS   4   9.233  -8.472  -4.149
   28    HD2  HIS   4           HD2      HIS   4   9.752  -8.055  -0.048
   29    HE1  HIS   4           HE1      HIS   4  10.965 -10.181  -3.513
   30    HB2  HIS   4           1HB      HIS   4   8.057  -6.323  -1.230
   31    HB3  HIS   4           2HB      HIS   4   7.151  -7.256  -2.418
   32    H    VAL   5           H        VAL   5  10.004  -6.295  -5.147
   33    HA   VAL   5           HA       VAL   5   8.192  -6.374  -7.314
   34    HB   VAL   5           HB       VAL   5  10.008  -7.256  -8.633
   35   HG11  VAL   5          1HG1      VAL   5  11.653  -5.532  -6.943
   36   HG12  VAL   5          2HG1      VAL   5  11.142  -5.325  -8.619
   37   HG13  VAL   5          3HG1      VAL   5  10.061  -4.866  -7.303
   38   HG21  VAL   5          3HG2      VAL   5  11.280  -7.853  -5.972
   39   HG22  VAL   5          1HG2      VAL   5  10.890  -8.979  -7.273
   40   HG23  VAL   5          2HG2      VAL   5  12.192  -7.807  -7.481
   41    H    TRP   6           H        TRP   6   8.602  -8.586  -8.767
   42    HA   TRP   6           HA       TRP   6   6.918 -10.502  -7.483
   43    HD1  TRP   6           HD1      TRP   6   5.138 -12.336 -10.058
   44    HE1  TRP   6           HE1      TRP   6   3.058 -10.959 -10.692
   45    HE3  TRP   6           HE3      TRP   6   7.161  -7.648  -9.805
   46    HZ2  TRP   6           HZ2      TRP   6   2.367  -8.245 -11.040
   47    HZ3  TRP   6           HZ3      TRP   6   5.723  -5.715 -10.304
   48    HH2  TRP   6           HH2      TRP   6   3.376  -6.009 -10.909
   49    HB2  TRP   6           1HB      TRP   6   8.173 -10.214 -10.171
   50    HB3  TRP   6           2HB      TRP   6   7.629 -11.817  -9.686
   51    H    ASP   7           H        ASP   7   7.384 -12.610  -6.862
   52    HA   ASP   7           HA       ASP   7   9.760 -13.087  -5.534
   53    HB2  ASP   7           1HB      ASP   7   7.653 -14.955  -6.601
   54    HB3  ASP   7           2HB      ASP   7   9.053 -15.556  -5.719
   55    H    GLY   8           H        GLY   8   8.928 -13.693  -8.880
   56    HA2  GLY   8           1HA      GLY   8  10.536 -13.824 -10.609
   57    HA3  GLY   8           2HA      GLY   8  11.745 -14.280  -9.418
   58    H    VAL   9           H        VAL   9   8.695 -15.875  -9.290
   59    HA   VAL   9           HA       VAL   9   9.970 -18.316 -10.324
   60    HB   VAL   9           HB       VAL   9   8.219 -19.548  -9.077
   61   HG11  VAL   9          1HG1      VAL   9   9.298 -19.429  -7.024
   62   HG12  VAL   9          2HG1      VAL   9  10.511 -18.805  -8.144
   63   HG13  VAL   9          3HG1      VAL   9   9.567 -17.691  -7.153
   64   HG21  VAL   9          3HG2      VAL   9   6.555 -17.686  -9.112
   65   HG22  VAL   9          1HG2      VAL   9   6.768 -18.437  -7.531
   66   HG23  VAL   9          2HG2      VAL   9   7.512 -16.875  -7.873
  Start of MODEL    9
    1    HA   VAL   1           HA       VAL   1   0.906   1.266  -1.532
    2    HB   VAL   1           HB       VAL   1   2.634   1.578  -3.302
    3    H1   VAL   1           1H       VAL   1   2.520   3.126  -0.022
    4   HG11  VAL   1          1HG1      VAL   1   1.032   3.749  -2.098
    5   HG12  VAL   1          2HG1      VAL   1   2.221   4.225  -3.313
    6   HG13  VAL   1          3HG1      VAL   1   0.966   3.052  -3.716
    7   HG21  VAL   1          3HG2      VAL   1   4.554   2.755  -3.009
    8   HG22  VAL   1          1HG2      VAL   1   3.840   3.829  -1.806
    9   HG23  VAL   1          2HG2      VAL   1   4.345   2.203  -1.347
   10    H    ASP   2           H        ASP   2   1.995  -0.566  -2.693
   11    HA   ASP   2           HA       ASP   2   3.954  -1.900  -0.942
   12    HB2  ASP   2           1HB      ASP   2   2.857  -4.027  -1.371
   13    HB3  ASP   2           2HB      ASP   2   1.694  -2.884  -0.706
   14    H    ILE   3           H        ILE   3   5.650  -2.903  -1.906
   15    HA   ILE   3           HA       ILE   3   5.680  -3.028  -4.845
   16    HB   ILE   3           HB       ILE   3   8.129  -2.405  -4.724
   17   HG12  ILE   3          1HG1      ILE   3   7.477  -1.081  -2.115
   18   HG13  ILE   3          2HG1      ILE   3   8.044  -2.747  -2.128
   19   HG21  ILE   3          1HG2      ILE   3   5.811  -0.619  -4.356
   20   HG22  ILE   3          2HG2      ILE   3   7.400   0.111  -4.136
   21   HG23  ILE   3          3HG2      ILE   3   6.999  -0.686  -5.657
   22   HD11  ILE   3          3HD1      ILE   3   9.485  -0.301  -3.103
   23   HD12  ILE   3          1HD1      ILE   3   9.929  -1.372  -1.774
   24   HD13  ILE   3          2HD1      ILE   3  10.028  -1.945  -3.439
   25    H    HIS   4           H        HIS   4   5.077  -5.293  -4.110
   26    HA   HIS   4           HA       HIS   4   6.966  -6.954  -2.834
   27    HD1  HIS   4           HD1      HIS   4   7.236  -9.747  -4.373
   28    HD2  HIS   4           HD2      HIS   4   4.084  -9.492  -1.678
   29    HE1  HIS   4           HE1      HIS   4   7.297 -11.892  -3.061
   30    HB2  HIS   4           1HB      HIS   4   4.455  -7.371  -3.292
   31    HB3  HIS   4           2HB      HIS   4   4.987  -7.957  -4.865
   32    H    VAL   5           H        VAL   5   8.854  -7.679  -3.539
   33    HA   VAL   5           HA       VAL   5   9.827  -7.157  -6.141
   34    HB   VAL   5           HB       VAL   5  11.802  -8.391  -5.510
   35   HG11  VAL   5          1HG1      VAL   5  10.639  -6.770  -3.252
   36   HG12  VAL   5          2HG1      VAL   5  12.327  -7.278  -3.333
   37   HG13  VAL   5          3HG1      VAL   5  11.669  -6.201  -4.566
   38   HG21  VAL   5          3HG2      VAL   5  10.079  -9.459  -3.287
   39   HG22  VAL   5          1HG2      VAL   5  10.938 -10.363  -4.534
   40   HG23  VAL   5          2HG2      VAL   5  11.840  -9.547  -3.257
   41    H    TRP   6           H        TRP   6  11.121  -9.307  -7.078
   42    HA   TRP   6           HA       TRP   6   9.005 -10.834  -8.271
   43    HD1  TRP   6           HD1      TRP   6  10.232 -11.943 -11.599
   44    HE1  TRP   6           HE1      TRP   6   9.630 -10.061 -13.249
   45    HE3  TRP   6           HE3      TRP   6  11.013  -7.913  -8.552
   46    HZ2  TRP   6           HZ2      TRP   6   9.503  -7.241 -13.257
   47    HZ3  TRP   6           HZ3      TRP   6  10.629  -5.657  -9.458
   48    HH2  TRP   6           HH2      TRP   6   9.890  -5.331 -11.762
   49    HB2  TRP   6           1HB      TRP   6  11.950 -10.591  -8.646
   50    HB3  TRP   6           2HB      TRP   6  11.173 -12.063  -9.221
   51    H    ASP   7           H        ASP   7   8.487 -12.958  -7.976
   52    HA   ASP   7           HA       ASP   7   9.673 -14.252  -5.620
   53    HB2  ASP   7           1HB      ASP   7   7.578 -15.697  -5.748
   54    HB3  ASP   7           2HB      ASP   7   7.337 -14.007  -5.314
   55    H    GLY   8           H        GLY   8  10.899 -14.272  -8.273
   56    HA2  GLY   8           1HA      GLY   8  12.173 -15.866  -9.376
   57    HA3  GLY   8           2HA      GLY   8  11.357 -17.115  -8.449
   58    H    VAL   9           H        VAL   9   9.433 -14.798 -10.139
   59    HA   VAL   9           HA       VAL   9   9.103 -16.545 -12.451
   60    HB   VAL   9           HB       VAL   9   6.765 -15.757 -10.707
   61   HG11  VAL   9          1HG1      VAL   9   5.859 -15.792 -12.821
   62   HG12  VAL   9          2HG1      VAL   9   6.992 -17.013 -13.403
   63   HG13  VAL   9          3HG1      VAL   9   5.662 -17.477 -12.341
   64   HG21  VAL   9          3HG2      VAL   9   8.044 -18.447 -11.187
   65   HG22  VAL   9          1HG2      VAL   9   8.038 -17.537  -9.676
   66   HG23  VAL   9          2HG2      VAL   9   6.530 -18.185 -10.322
  Start of MODEL   10
    1    HA   VAL   1           HA       VAL   1   4.334  -0.412   0.756
    2    HB   VAL   1           HB       VAL   1   2.071   0.320   1.360
    3    H1   VAL   1           1H       VAL   1   2.807   0.677  -1.517
    4   HG11  VAL   1          1HG1      VAL   1   1.062  -1.800  -0.528
    5   HG12  VAL   1          2HG1      VAL   1   0.104  -0.673   0.436
    6   HG13  VAL   1          3HG1      VAL   1   1.086  -0.077  -0.903
    7   HG21  VAL   1          3HG2      VAL   1   1.396  -1.664   2.519
    8   HG22  VAL   1          1HG2      VAL   1   2.249  -2.688   1.364
    9   HG23  VAL   1          2HG2      VAL   1   3.158  -1.643   2.456
   10    H    ASP   2           H        ASP   2   2.845  -1.122  -2.318
   11    HA   ASP   2           HA       ASP   2   3.700  -3.927  -2.103
   12    HB2  ASP   2           1HB      ASP   2   1.304  -3.461  -2.676
   13    HB3  ASP   2           2HB      ASP   2   1.860  -2.703  -4.166
   14    H    ILE   3           H        ILE   3   5.871  -2.602  -2.395
   15    HA   ILE   3           HA       ILE   3   6.446  -2.248  -5.248
   16    HB   ILE   3           HB       ILE   3   8.566  -1.220  -4.502
   17   HG12  ILE   3          1HG1      ILE   3   7.500  -1.190  -1.698
   18   HG13  ILE   3          2HG1      ILE   3   8.435  -2.571  -2.263
   19   HG21  ILE   3          1HG2      ILE   3   5.938  -0.189  -4.234
   20   HG22  ILE   3          2HG2      ILE   3   6.920   0.480  -2.932
   21   HG23  ILE   3          3HG2      ILE   3   7.426   0.680  -4.610
   22   HD11  ILE   3          3HD1      ILE   3   9.292   0.199  -1.689
   23   HD12  ILE   3          1HD1      ILE   3  10.113  -1.333  -1.390
   24   HD13  ILE   3          2HD1      ILE   3  10.095  -0.644  -3.013
   25    H    HIS   4           H        HIS   4   6.126  -4.873  -3.927
   26    HA   HIS   4           HA       HIS   4   8.849  -5.943  -4.241
   27    HD1  HIS   4           HD1      HIS   4   9.188  -8.608  -4.484
   28    HD2  HIS   4           HD2      HIS   4   8.797  -7.895  -0.410
   29    HE1  HIS   4           HE1      HIS   4  10.929 -10.047  -3.380
   30    HB2  HIS   4           1HB      HIS   4   7.350  -6.312  -2.105
   31    HB3  HIS   4           2HB      HIS   4   6.606  -7.561  -3.099
   32    H    VAL   5           H        VAL   5   9.314  -7.223  -5.914
   33    HA   VAL   5           HA       VAL   5   7.475  -7.595  -8.029
   34    HB   VAL   5           HB       VAL   5   9.195  -8.884  -9.124
   35   HG11  VAL   5          1HG1      VAL   5  10.161  -6.931  -9.546
   36   HG12  VAL   5          2HG1      VAL   5   9.627  -6.294  -7.989
   37   HG13  VAL   5          3HG1      VAL   5  11.166  -7.148  -8.113
   38   HG21  VAL   5          3HG2      VAL   5  10.151  -9.276  -6.355
   39   HG22  VAL   5          1HG2      VAL   5  10.184 -10.374  -7.735
   40   HG23  VAL   5          2HG2      VAL   5  11.390  -9.094  -7.597
   41    H    TRP   6           H        TRP   6   7.680 -10.088  -8.987
   42    HA   TRP   6           HA       TRP   6   5.926 -11.564  -7.242
   43    HD1  TRP   6           HD1      TRP   6   3.710 -13.598  -9.397
   44    HE1  TRP   6           HE1      TRP   6   1.694 -12.113  -9.992
   45    HE3  TRP   6           HE3      TRP   6   6.117  -9.112  -9.861
   46    HZ2  TRP   6           HZ2      TRP   6   1.191  -9.398 -10.580
   47    HZ3  TRP   6           HZ3      TRP   6   4.796  -7.119 -10.442
   48    HH2  TRP   6           HH2      TRP   6   2.384  -7.262 -10.795
   49    HB2  TRP   6           1HB      TRP   6   6.870 -11.835 -10.059
   50    HB3  TRP   6           2HB      TRP   6   6.247 -13.272  -9.253
   51    H    ASP   7           H        ASP   7   6.339 -13.443  -6.167
   52    HA   ASP   7           HA       ASP   7   8.899 -13.963  -5.223
   53    HB2  ASP   7           1HB      ASP   7   6.529 -14.755  -4.396
   54    HB3  ASP   7           2HB      ASP   7   6.893 -16.180  -5.366
   55    H    GLY   8           H        GLY   8  10.566 -14.439  -6.521
   56    HA2  GLY   8           1HA      GLY   8  11.872 -16.041  -7.652
   57    HA3  GLY   8           2HA      GLY   8  10.402 -16.899  -8.089
   58    H    VAL   9           H        VAL   9  10.503 -13.482  -8.568
   59    HA   VAL   9           HA       VAL   9  11.054 -13.870 -11.434
   60    HB   VAL   9           HB       VAL   9   8.854 -12.139 -10.297
   61   HG11  VAL   9          1HG1      VAL   9   8.253 -11.737 -12.637
   62   HG12  VAL   9          2HG1      VAL   9   9.881 -11.157 -12.278
   63   HG13  VAL   9          3HG1      VAL   9   9.656 -12.670 -13.156
   64   HG21  VAL   9          3HG2      VAL   9   7.516 -13.802 -11.833
   65   HG22  VAL   9          1HG2      VAL   9   8.892 -14.858 -11.512
   66   HG23  VAL   9          2HG2      VAL   9   7.928 -14.234 -10.174
  Start of MODEL   11
    1    HA   VAL   1           HA       VAL   1   2.464   0.147  -0.349
    2    HB   VAL   1           HB       VAL   1   1.667  -2.430   1.014
    3    H1   VAL   1           1H       VAL   1   0.613  -1.938  -1.246
    4   HG11  VAL   1          1HG1      VAL   1   3.457  -0.160   1.819
    5   HG12  VAL   1          2HG1      VAL   1   2.672  -1.190   3.019
    6   HG13  VAL   1          3HG1      VAL   1   3.786  -1.892   1.845
    7   HG21  VAL   1          3HG2      VAL   1   0.782  -0.270   2.517
    8   HG22  VAL   1          1HG2      VAL   1   0.399   0.167   0.852
    9   HG23  VAL   1          2HG2      VAL   1  -0.210  -1.343   1.530
   10    H    ASP   2           H        ASP   2   2.475  -3.371  -0.931
   11    HA   ASP   2           HA       ASP   2   5.221  -3.771  -0.716
   12    HB2  ASP   2           1HB      ASP   2   3.449  -5.554  -0.852
   13    HB3  ASP   2           2HB      ASP   2   3.382  -5.268  -2.589
   14    H    ILE   3           H        ILE   3   6.678  -2.567  -1.763
   15    HA   ILE   3           HA       ILE   3   6.227  -1.872  -4.569
   16    HB   ILE   3           HB       ILE   3   8.165  -0.371  -4.314
   17   HG12  ILE   3          1HG1      ILE   3   8.117  -1.089  -1.382
   18   HG13  ILE   3          2HG1      ILE   3   9.248  -1.812  -2.521
   19   HG21  ILE   3          1HG2      ILE   3   5.636   0.009  -3.420
   20   HG22  ILE   3          2HG2      ILE   3   6.567   0.394  -1.973
   21   HG23  ILE   3          3HG2      ILE   3   6.872   1.266  -3.475
   22   HD11  ILE   3          3HD1      ILE   3   9.402   0.977  -2.873
   23   HD12  ILE   3          1HD1      ILE   3   9.430   0.667  -1.137
   24   HD13  ILE   3          2HD1      ILE   3  10.612  -0.109  -2.191
   25    H    HIS   4           H        HIS   4   6.885  -4.593  -3.807
   26    HA   HIS   4           HA       HIS   4   9.540  -4.856  -5.058
   27    HD1  HIS   4           HD1      HIS   4   9.772  -8.777  -4.665
   28    HD2  HIS   4           HD2      HIS   4  11.856  -5.606  -2.975
   29    HE1  HIS   4           HE1      HIS   4  12.195  -9.445  -4.749
   30    HB2  HIS   4           1HB      HIS   4   9.043  -5.756  -2.644
   31    HB3  HIS   4           2HB      HIS   4   8.266  -7.081  -3.506
   32    H    VAL   5           H        VAL   5   9.845  -6.561  -6.581
   33    HA   VAL   5           HA       VAL   5   7.718  -6.839  -8.423
   34    HB   VAL   5           HB       VAL   5   9.181  -8.273  -9.697
   35   HG11  VAL   5          1HG1      VAL   5   9.679  -5.918  -9.810
   36   HG12  VAL   5          2HG1      VAL   5  10.679  -6.024  -8.360
   37   HG13  VAL   5          3HG1      VAL   5  11.187  -6.831  -9.844
   38   HG21  VAL   5          3HG2      VAL   5  10.620  -8.552  -7.093
   39   HG22  VAL   5          1HG2      VAL   5  10.128  -9.796  -8.242
   40   HG23  VAL   5          2HG2      VAL   5  11.499  -8.749  -8.609
   41    H    TRP   6           H        TRP   6   7.617  -9.359  -9.326
   42    HA   TRP   6           HA       TRP   6   6.009 -10.666  -7.325
   43    HD1  TRP   6           HD1      TRP   6   5.359 -14.125  -8.823
   44    HE1  TRP   6           HE1      TRP   6   2.866 -14.566  -8.359
   45    HE3  TRP   6           HE3      TRP   6   3.593  -9.349  -9.275
   46    HZ2  TRP   6           HZ2      TRP   6   0.468 -13.084  -8.205
   47    HZ3  TRP   6           HZ3      TRP   6   1.187  -8.946  -8.955
   48    HH2  TRP   6           HH2      TRP   6  -0.342 -10.776  -8.432
   49    HB2  TRP   6           1HB      TRP   6   5.774 -10.523  -9.994
   50    HB3  TRP   6           2HB      TRP   6   6.646 -12.049  -9.876
   51    H    ASP   7           H        ASP   7   6.788 -12.019  -5.862
   52    HA   ASP   7           HA       ASP   7   9.434 -12.983  -5.857
   53    HB2  ASP   7           1HB      ASP   7   6.995 -13.807  -4.277
   54    HB3  ASP   7           2HB      ASP   7   8.601 -14.469  -3.985
   55    H    GLY   8           H        GLY   8  10.346 -14.701  -6.784
   56    HA2  GLY   8           1HA      GLY   8  10.314 -17.055  -7.323
   57    HA3  GLY   8           2HA      GLY   8   8.601 -16.900  -7.682
   58    H    VAL   9           H        VAL   9  10.744 -14.431  -8.794
   59    HA   VAL   9           HA       VAL   9  10.328 -15.369 -11.547
   60    HB   VAL   9           HB       VAL   9  10.847 -13.062 -12.237
   61   HG11  VAL   9          1HG1      VAL   9   8.571 -13.332 -12.070
   62   HG12  VAL   9          2HG1      VAL   9   8.625 -13.640 -10.333
   63   HG13  VAL   9          3HG1      VAL   9   8.830 -11.999 -10.946
   64   HG21  VAL   9          3HG2      VAL   9  11.823 -12.875  -9.560
   65   HG22  VAL   9          1HG2      VAL   9  11.960 -11.708 -10.875
   66   HG23  VAL   9          2HG2      VAL   9  10.563 -11.664  -9.800
  Start of MODEL   12
    1    HA   VAL   1           HA       VAL   1   1.466  -0.463  -1.565
    2    HB   VAL   1           HB       VAL   1   3.317  -1.026   0.020
    3    H1   VAL   1           1H       VAL   1   0.367  -3.151  -1.387
    4   HG11  VAL   1          1HG1      VAL   1   0.501  -0.861   1.077
    5   HG12  VAL   1          2HG1      VAL   1   1.938  -0.660   2.082
    6   HG13  VAL   1          3HG1      VAL   1   1.616   0.469   0.765
    7   HG21  VAL   1          3HG2      VAL   1   3.508  -3.067   0.877
    8   HG22  VAL   1          1HG2      VAL   1   1.910  -2.930   1.612
    9   HG23  VAL   1          2HG2      VAL   1   2.077  -3.565  -0.025
   10    H    ASP   2           H        ASP   2   3.078  -0.337  -3.013
   11    HA   ASP   2           HA       ASP   2   4.004  -2.846  -4.218
   12    HB2  ASP   2           1HB      ASP   2   4.420  -0.086  -5.353
   13    HB3  ASP   2           2HB      ASP   2   4.454  -1.631  -6.197
   14    H    ILE   3           H        ILE   3   5.345  -2.909  -2.121
   15    HA   ILE   3           HA       ILE   3   7.914  -1.555  -2.626
   16    HB   ILE   3           HB       ILE   3   8.320  -1.764  -0.150
   17   HG12  ILE   3          1HG1      ILE   3   5.331  -2.206  -0.042
   18   HG13  ILE   3          2HG1      ILE   3   6.525  -3.473   0.216
   19   HG21  ILE   3          1HG2      ILE   3   6.624   0.101  -1.571
   20   HG22  ILE   3          2HG2      ILE   3   6.238   0.043   0.148
   21   HG23  ILE   3          3HG2      ILE   3   7.883   0.407  -0.374
   22   HD11  ILE   3          3HD1      ILE   3   7.300  -2.464   2.201
   23   HD12  ILE   3          1HD1      ILE   3   6.420  -0.972   1.871
   24   HD13  ILE   3          2HD1      ILE   3   5.539  -2.444   2.282
   25    H    HIS   4           H        HIS   4   6.999  -4.147  -3.606
   26    HA   HIS   4           HA       HIS   4   9.292  -5.693  -2.806
   27    HD1  HIS   4           HD1      HIS   4   9.878  -7.885  -3.129
   28    HD2  HIS   4           HD2      HIS   4   7.673  -8.507   0.337
   29    HE1  HIS   4           HE1      HIS   4  11.049  -9.748  -1.912
   30    HB2  HIS   4           1HB      HIS   4   7.251  -6.144  -1.184
   31    HB3  HIS   4           2HB      HIS   4   6.707  -7.163  -2.514
   32    H    VAL   5           H        VAL   5  10.081  -6.515  -4.618
   33    HA   VAL   5           HA       VAL   5   8.667  -6.500  -7.065
   34    HB   VAL   5           HB       VAL   5  10.594  -7.577  -8.037
   35   HG11  VAL   5          1HG1      VAL   5  12.238  -6.028  -6.296
   36   HG12  VAL   5          2HG1      VAL   5  11.660  -5.634  -7.917
   37   HG13  VAL   5          3HG1      VAL   5  10.693  -5.205  -6.505
   38   HG21  VAL   5          3HG2      VAL   5  11.241  -8.274  -5.194
   39   HG22  VAL   5          1HG2      VAL   5  11.148  -9.329  -6.604
   40   HG23  VAL   5          2HG2      VAL   5  12.500  -8.210  -6.427
   41    H    TRP   6           H        TRP   6   9.116  -8.782  -8.393
   42    HA   TRP   6           HA       TRP   6   7.136 -10.552  -7.260
   43    HD1  TRP   6           HD1      TRP   6   7.219 -13.609  -9.534
   44    HE1  TRP   6           HE1      TRP   6   4.740 -14.182  -9.924
   45    HE3  TRP   6           HE3      TRP   6   5.283  -8.877  -9.542
   46    HZ2  TRP   6           HZ2      TRP   6   2.289 -12.810 -10.199
   47    HZ3  TRP   6           HZ3      TRP   6   2.862  -8.594  -9.875
   48    HH2  TRP   6           HH2      TRP   6   1.398 -10.521 -10.197
   49    HB2  TRP   6           1HB      TRP   6   7.667  -9.836  -9.803
   50    HB3  TRP   6           2HB      TRP   6   8.586 -11.337  -9.726
   51    H    ASP   7           H        ASP   7   7.422 -12.725  -6.734
   52    HA   ASP   7           HA       ASP   7   9.693 -13.425  -5.324
   53    HB2  ASP   7           1HB      ASP   7   8.830 -15.837  -5.695
   54    HB3  ASP   7           2HB      ASP   7   7.790 -14.697  -4.846
   55    H    GLY   8           H        GLY   8   8.982 -13.836  -8.730
   56    HA2  GLY   8           1HA      GLY   8  10.818 -13.886 -10.299
   57    HA3  GLY   8           2HA      GLY   8  11.750 -14.779  -9.107
   58    H    VAL   9           H        VAL   9   8.431 -15.615  -9.625
   59    HA   VAL   9           HA       VAL   9   9.274 -17.964 -11.193
   60    HB   VAL   9           HB       VAL   9   7.178 -17.934  -9.017
   61   HG11  VAL   9          1HG1      VAL   9   6.365 -19.712 -10.083
   62   HG12  VAL   9          2HG1      VAL   9   7.734 -19.760 -11.196
   63   HG13  VAL   9          3HG1      VAL   9   7.845 -20.554  -9.625
   64   HG21  VAL   9          3HG2      VAL   9   8.955 -19.707  -8.141
   65   HG22  VAL   9          1HG2      VAL   9  10.050 -18.674  -9.059
   66   HG23  VAL   9          2HG2      VAL   9   9.075 -17.990  -7.758
  Start of MODEL   13
    1    HA   VAL   1           HA       VAL   1   3.523   1.352   0.648
    2    HB   VAL   1           HB       VAL   1   3.015  -1.314   1.976
    3    H1   VAL   1           1H       VAL   1   1.445  -0.622   0.051
    4   HG11  VAL   1          1HG1      VAL   1   5.210  -0.808   2.484
    5   HG12  VAL   1          2HG1      VAL   1   4.920   0.933   2.480
    6   HG13  VAL   1          3HG1      VAL   1   4.345  -0.056   3.823
    7   HG21  VAL   1          3HG2      VAL   1   1.311  -0.361   3.036
    8   HG22  VAL   1          1HG2      VAL   1   2.419   0.842   3.696
    9   HG23  VAL   1          2HG2      VAL   1   1.586   1.152   2.173
   10    H    ASP   2           H        ASP   2   3.453  -2.182   0.147
   11    HA   ASP   2           HA       ASP   2   6.123  -1.998  -1.052
   12    HB2  ASP   2           1HB      ASP   2   4.572  -4.241   0.215
   13    HB3  ASP   2           2HB      ASP   2   5.949  -4.578  -0.832
   14    H    ILE   3           H        ILE   3   6.468  -2.364  -3.154
   15    HA   ILE   3           HA       ILE   3   4.279  -3.529  -4.743
   16    HB   ILE   3           HB       ILE   3   4.930  -2.016  -6.606
   17   HG12  ILE   3          1HG1      ILE   3   6.380  -0.353  -4.561
   18   HG13  ILE   3          2HG1      ILE   3   7.231  -1.569  -5.506
   19   HG21  ILE   3          1HG2      ILE   3   3.810  -0.998  -4.036
   20   HG22  ILE   3          2HG2      ILE   3   4.039   0.114  -5.384
   21   HG23  ILE   3          3HG2      ILE   3   3.002  -1.300  -5.574
   22   HD11  ILE   3          3HD1      ILE   3   5.616   0.634  -6.750
   23   HD12  ILE   3          1HD1      ILE   3   7.335   0.778  -6.384
   24   HD13  ILE   3          2HD1      ILE   3   6.776  -0.441  -7.530
   25    H    HIS   4           H        HIS   4   6.619  -4.828  -3.636
   26    HA   HIS   4           HA       HIS   4   8.711  -5.145  -5.450
   27    HD1  HIS   4           HD1      HIS   4   9.551  -8.578  -5.584
   28    HD2  HIS   4           HD2      HIS   4  11.026  -5.906  -2.766
   29    HE1  HIS   4           HE1      HIS   4  12.032  -8.982  -5.509
   30    HB2  HIS   4           1HB      HIS   4   8.317  -6.086  -3.011
   31    HB3  HIS   4           2HB      HIS   4   7.749  -7.504  -3.887
   32    H    VAL   5           H        VAL   5   9.176  -6.883  -6.924
   33    HA   VAL   5           HA       VAL   5   7.080  -7.374  -8.755
   34    HB   VAL   5           HB       VAL   5   8.653  -8.714  -9.999
   35   HG11  VAL   5          1HG1      VAL   5  10.511  -7.118 -10.217
   36   HG12  VAL   5          2HG1      VAL   5   8.946  -6.307 -10.126
   37   HG13  VAL   5          3HG1      VAL   5  10.006  -6.342  -8.716
   38   HG21  VAL   5          3HG2      VAL   5  10.280  -8.680  -7.464
   39   HG22  VAL   5          1HG2      VAL   5   9.619 -10.080  -8.309
   40   HG23  VAL   5          2HG2      VAL   5  10.933  -9.153  -9.033
   41    H    TRP   6           H        TRP   6   7.182  -9.913  -9.599
   42    HA   TRP   6           HA       TRP   6   5.659 -11.295  -7.593
   43    HD1  TRP   6           HD1      TRP   6   3.330 -13.582  -9.443
   44    HE1  TRP   6           HE1      TRP   6   1.198 -12.204  -9.870
   45    HE3  TRP   6           HE3      TRP   6   5.466  -9.005 -10.236
   46    HZ2  TRP   6           HZ2      TRP   6   0.513  -9.531 -10.465
   47    HZ3  TRP   6           HZ3      TRP   6   4.002  -7.090 -10.729
   48    HH2  TRP   6           HH2      TRP   6   1.577  -7.350 -10.842
   49    HB2  TRP   6           1HB      TRP   6   6.318 -11.728 -10.464
   50    HB3  TRP   6           2HB      TRP   6   5.846 -13.136  -9.517
   51    H    ASP   7           H        ASP   7   6.234 -13.016  -6.371
   52    HA   ASP   7           HA       ASP   7   8.961 -13.489  -5.842
   53    HB2  ASP   7           1HB      ASP   7   6.688 -15.341  -5.121
   54    HB3  ASP   7           2HB      ASP   7   8.223 -15.143  -4.281
   55    H    GLY   8           H        GLY   8  10.390 -14.928  -6.620
   56    HA2  GLY   8           1HA      GLY   8  10.871 -17.142  -7.501
   57    HA3  GLY   8           2HA      GLY   8   9.376 -17.037  -8.419
   58    H    VAL   9           H        VAL   9  11.424 -14.255  -8.228
   59    HA   VAL   9           HA       VAL   9  12.074 -14.595 -11.072
   60    HB   VAL   9           HB       VAL   9  12.525 -12.162 -11.071
   61   HG11  VAL   9          1HG1      VAL   9  10.418 -12.369 -11.841
   62   HG12  VAL   9          2HG1      VAL   9   9.910 -13.380 -10.486
   63   HG13  VAL   9          3HG1      VAL   9   9.992 -11.627 -10.299
   64   HG21  VAL   9          3HG2      VAL   9  12.778 -11.010  -9.187
   65   HG22  VAL   9          1HG2      VAL   9  11.168 -11.481  -8.642
   66   HG23  VAL   9          2HG2      VAL   9  12.557 -12.506  -8.279
  Start of MODEL   14
    1    HA   VAL   1           HA       VAL   1   1.036  -0.501  -3.664
    2    HB   VAL   1           HB       VAL   1   0.906   1.239  -1.916
    3    H1   VAL   1           1H       VAL   1  -0.356  -1.772  -1.437
    4   HG11  VAL   1          1HG1      VAL   1   1.464   0.930   0.246
    5   HG12  VAL   1          2HG1      VAL   1   1.144  -0.766  -0.123
    6   HG13  VAL   1          3HG1      VAL   1   2.798  -0.154  -0.143
    7   HG21  VAL   1          3HG2      VAL   1   3.072   0.501  -3.399
    8   HG22  VAL   1          1HG2      VAL   1   2.951   1.986  -2.456
    9   HG23  VAL   1          2HG2      VAL   1   3.755   0.572  -1.775
   10    H    ASP   2           H        ASP   2   3.087  -1.336  -4.068
   11    HA   ASP   2           HA       ASP   2   3.711  -3.805  -2.592
   12    HB2  ASP   2           1HB      ASP   2   5.035  -4.358  -4.716
   13    HB3  ASP   2           2HB      ASP   2   3.277  -4.397  -4.831
   14    H    ILE   3           H        ILE   3   5.651  -4.056  -1.638
   15    HA   ILE   3           HA       ILE   3   7.631  -1.905  -2.016
   16    HB   ILE   3           HB       ILE   3   8.356  -2.316   0.316
   17   HG12  ILE   3          1HG1      ILE   3   5.843  -3.988   0.522
   18   HG13  ILE   3          2HG1      ILE   3   7.472  -4.650   0.445
   19   HG21  ILE   3          1HG2      ILE   3   6.030  -0.983  -0.590
   20   HG22  ILE   3          2HG2      ILE   3   5.665  -1.681   0.987
   21   HG23  ILE   3          3HG2      ILE   3   7.042  -0.596   0.802
   22   HD11  ILE   3          3HD1      ILE   3   6.415  -2.836   2.601
   23   HD12  ILE   3          1HD1      ILE   3   6.627  -4.582   2.726
   24   HD13  ILE   3          2HD1      ILE   3   8.033  -3.535   2.530
   25    H    HIS   4           H        HIS   4   7.343  -4.552  -3.362
   26    HA   HIS   4           HA       HIS   4  10.087  -5.278  -3.341
   27    HD1  HIS   4           HD1      HIS   4  10.058  -8.809  -3.971
   28    HD2  HIS   4           HD2      HIS   4  11.618  -7.056  -0.543
   29    HE1  HIS   4           HE1      HIS   4  12.285  -9.916  -3.604
   30    HB2  HIS   4           1HB      HIS   4   9.074  -6.384  -1.222
   31    HB3  HIS   4           2HB      HIS   4   8.308  -7.492  -2.356
   32    H    VAL   5           H        VAL   5  10.603  -6.159  -5.255
   33    HA   VAL   5           HA       VAL   5   8.650  -6.419  -7.282
   34    HB   VAL   5           HB       VAL   5  10.434  -7.158  -8.727
   35   HG11  VAL   5          1HG1      VAL   5  11.496  -5.169  -8.786
   36   HG12  VAL   5          2HG1      VAL   5  10.342  -4.748  -7.519
   37   HG13  VAL   5          3HG1      VAL   5  11.978  -5.254  -7.092
   38   HG21  VAL   5          3HG2      VAL   5  11.939  -7.617  -6.162
   39   HG22  VAL   5          1HG2      VAL   5  11.563  -8.781  -7.432
   40   HG23  VAL   5          2HG2      VAL   5  12.738  -7.500  -7.730
   41    H    TRP   6           H        TRP   6   9.142  -8.605  -8.748
   42    HA   TRP   6           HA       TRP   6   7.747 -10.649  -7.311
   43    HD1  TRP   6           HD1      TRP   6   5.878 -12.621  -9.776
   44    HE1  TRP   6           HE1      TRP   6   3.643 -11.409 -10.176
   45    HE3  TRP   6           HE3      TRP   6   7.524  -7.786  -9.545
   46    HZ2  TRP   6           HZ2      TRP   6   2.703  -8.754 -10.369
   47    HZ3  TRP   6           HZ3      TRP   6   5.893  -5.969  -9.848
   48    HH2  TRP   6           HH2      TRP   6   3.533  -6.445 -10.252
   49    HB2  TRP   6           1HB      TRP   6   8.706 -10.274 -10.111
   50    HB3  TRP   6           2HB      TRP   6   8.335 -11.910  -9.575
   51    H    ASP   7           H        ASP   7   8.455 -12.722  -6.781
   52    HA   ASP   7           HA       ASP   7  11.377 -12.983  -6.552
   53    HB2  ASP   7           1HB      ASP   7   9.763 -12.966  -4.486
   54    HB3  ASP   7           2HB      ASP   7   9.457 -14.636  -4.952
   55    H    GLY   8           H        GLY   8  10.416 -13.626  -8.998
   56    HA2  GLY   8           1HA      GLY   8  10.759 -15.342 -10.516
   57    HA3  GLY   8           2HA      GLY   8  11.094 -16.421  -9.170
   58    H    VAL   9           H        VAL   9   8.167 -14.582  -9.138
   59    HA   VAL   9           HA       VAL   9   6.646 -17.062  -9.461
   60    HB   VAL   9           HB       VAL   9   5.631 -14.375  -8.530
   61   HG11  VAL   9          1HG1      VAL   9   4.481 -17.141  -8.617
   62   HG12  VAL   9          2HG1      VAL   9   3.897 -15.948  -7.456
   63   HG13  VAL   9          3HG1      VAL   9   3.780 -15.626  -9.186
   64   HG21  VAL   9          3HG2      VAL   9   6.614 -16.718  -6.903
   65   HG22  VAL   9          1HG2      VAL   9   7.371 -15.130  -7.021
   66   HG23  VAL   9          2HG2      VAL   9   5.793 -15.299  -6.252
  Start of MODEL   15
    1    HA   VAL   1           HA       VAL   1   0.254  -0.774  -1.265
    2    HB   VAL   1           HB       VAL   1   0.486  -1.243  -4.240
    3    H1   VAL   1           1H       VAL   1   2.015   0.538  -3.208
    4   HG11  VAL   1          1HG1      VAL   1  -0.638  -2.843  -2.230
    5   HG12  VAL   1          2HG1      VAL   1  -1.993  -2.064  -3.050
    6   HG13  VAL   1          3HG1      VAL   1  -0.829  -3.013  -3.975
    7   HG21  VAL   1          3HG2      VAL   1  -1.213   0.572  -2.599
    8   HG22  VAL   1          1HG2      VAL   1  -0.468   0.840  -4.175
    9   HG23  VAL   1          2HG2      VAL   1  -1.907  -0.170  -4.040
   10    H    ASP   2           H        ASP   2   2.662  -1.676  -3.737
   11    HA   ASP   2           HA       ASP   2   3.552  -3.841  -1.963
   12    HB2  ASP   2           1HB      ASP   2   3.840  -5.278  -4.024
   13    HB3  ASP   2           2HB      ASP   2   2.172  -4.980  -3.540
   14    H    ILE   3           H        ILE   3   5.504  -3.056  -1.407
   15    HA   ILE   3           HA       ILE   3   7.242  -1.940  -3.481
   16    HB   ILE   3           HB       ILE   3   8.688  -1.210  -1.644
   17   HG12  ILE   3          1HG1      ILE   3   7.191  -1.488   0.658
   18   HG13  ILE   3          2HG1      ILE   3   6.979  -3.047  -0.132
   19   HG21  ILE   3          1HG2      ILE   3   5.800  -0.476  -1.687
   20   HG22  ILE   3          2HG2      ILE   3   6.845   0.226  -0.453
   21   HG23  ILE   3          3HG2      ILE   3   7.211   0.470  -2.160
   22   HD11  ILE   3          3HD1      ILE   3   8.963  -2.596   1.529
   23   HD12  ILE   3          1HD1      ILE   3   9.168  -3.618   0.107
   24   HD13  ILE   3          2HD1      ILE   3   9.725  -1.945   0.078
   25    H    HIS   4           H        HIS   4   6.627  -4.840  -3.168
   26    HA   HIS   4           HA       HIS   4   9.343  -5.835  -2.619
   27    HD1  HIS   4           HD1      HIS   4  10.445  -7.685  -2.502
   28    HD2  HIS   4           HD2      HIS   4   7.095 -10.048  -1.830
   29    HE1  HIS   4           HE1      HIS   4  11.304 -10.044  -2.362
   30    HB2  HIS   4           1HB      HIS   4   7.578  -6.812  -1.194
   31    HB3  HIS   4           2HB      HIS   4   6.737  -7.372  -2.636
   32    H    VAL   5           H        VAL   5  10.506  -6.628  -4.250
   33    HA   VAL   5           HA       VAL   5   9.606  -6.457  -6.924
   34    HB   VAL   5           HB       VAL   5  11.725  -7.418  -7.562
   35   HG11  VAL   5          1HG1      VAL   5  12.676  -5.893  -5.237
   36   HG12  VAL   5          2HG1      VAL   5  12.936  -5.619  -6.961
   37   HG13  VAL   5          3HG1      VAL   5  11.434  -5.094  -6.200
   38   HG21  VAL   5          3HG2      VAL   5  11.844  -8.292  -4.693
   39   HG22  VAL   5          1HG2      VAL   5  12.016  -9.265  -6.153
   40   HG23  VAL   5          2HG2      VAL   5  13.298  -8.151  -5.679
   41    H    TRP   6           H        TRP   6  10.391  -8.623  -8.290
   42    HA   TRP   6           HA       TRP   6   8.252 -10.465  -7.825
   43    HD1  TRP   6           HD1      TRP   6   7.356 -11.946 -11.013
   44    HE1  TRP   6           HE1      TRP   6   5.746 -10.331 -12.206
   45    HE3  TRP   6           HE3      TRP   6   9.511  -7.510  -9.666
   46    HZ2  TRP   6           HZ2      TRP   6   5.431  -7.545 -12.533
   47    HZ3  TRP   6           HZ3      TRP   6   8.494  -5.415 -10.461
   48    HH2  TRP   6           HH2      TRP   6   6.496  -5.435 -11.865
   49    HB2  TRP   6           1HB      TRP   6  10.390 -10.145  -9.885
   50    HB3  TRP   6           2HB      TRP   6   9.585 -11.706  -9.752
   51    H    ASP   7           H        ASP   7   8.333 -12.583  -7.156
   52    HA   ASP   7           HA       ASP   7  10.826 -13.382  -5.815
   53    HB2  ASP   7           1HB      ASP   7   9.434 -14.806  -4.393
   54    HB3  ASP   7           2HB      ASP   7   8.873 -13.137  -4.340
   55    H    GLY   8           H        GLY   8  10.243 -13.751  -8.672
   56    HA2  GLY   8           1HA      GLY   8  11.009 -15.457 -10.090
   57    HA3  GLY   8           2HA      GLY   8  10.819 -16.606  -8.774
   58    H    VAL   9           H        VAL   9   8.185 -14.485  -9.398
   59    HA   VAL   9           HA       VAL   9   6.615 -16.756 -10.364
   60    HB   VAL   9           HB       VAL   9   4.645 -15.383  -9.873
   61   HG11  VAL   9          1HG1      VAL   9   5.415 -14.962  -7.316
   62   HG12  VAL   9          2HG1      VAL   9   4.989 -16.544  -7.973
   63   HG13  VAL   9          3HG1      VAL   9   6.682 -16.060  -7.861
   64   HG21  VAL   9          3HG2      VAL   9   6.673 -13.278  -9.670
   65   HG22  VAL   9          1HG2      VAL   9   4.956 -13.168 -10.059
   66   HG23  VAL   9          2HG2      VAL   9   5.475 -13.261  -8.376
  Start of MODEL   16
    1    HA   VAL   1           HA       VAL   1   0.562  -0.088  -1.166
    2    HB   VAL   1           HB       VAL   1   1.712  -0.098  -3.333
    3    H1   VAL   1           1H       VAL   1   1.354   2.664  -1.005
    4   HG11  VAL   1          1HG1      VAL   1   0.227   1.333  -4.457
    5   HG12  VAL   1          2HG1      VAL   1  -0.604   0.905  -2.961
    6   HG13  VAL   1          3HG1      VAL   1   0.181   2.477  -3.117
    7   HG21  VAL   1          3HG2      VAL   1   3.510   1.200  -3.563
    8   HG22  VAL   1          1HG2      VAL   1   2.397   2.550  -3.785
    9   HG23  VAL   1          2HG2      VAL   1   3.051   2.201  -2.185
   10    H    ASP   2           H        ASP   2   2.095  -1.837  -1.673
   11    HA   ASP   2           HA       ASP   2   4.661  -1.503  -0.262
   12    HB2  ASP   2           1HB      ASP   2   3.091  -2.807   1.105
   13    HB3  ASP   2           2HB      ASP   2   2.860  -3.934  -0.229
   14    H    ILE   3           H        ILE   3   5.520  -1.056  -2.404
   15    HA   ILE   3           HA       ILE   3   5.401  -2.742  -4.598
   16    HB   ILE   3           HB       ILE   3   7.696  -1.828  -5.171
   17   HG12  ILE   3          1HG1      ILE   3   7.487   0.259  -3.132
   18   HG13  ILE   3          2HG1      ILE   3   7.824  -1.330  -2.456
   19   HG21  ILE   3          1HG2      ILE   3   5.992   0.494  -4.493
   20   HG22  ILE   3          2HG2      ILE   3   6.741   0.044  -6.024
   21   HG23  ILE   3          3HG2      ILE   3   5.270  -0.769  -5.490
   22   HD11  ILE   3          3HD1      ILE   3   9.678  -1.455  -4.227
   23   HD12  ILE   3          1HD1      ILE   3   9.459   0.289  -4.362
   24   HD13  ILE   3          2HD1      ILE   3   9.924  -0.424  -2.817
   25    H    HIS   4           H        HIS   4   5.692  -4.882  -4.478
   26    HA   HIS   4           HA       HIS   4   8.011  -5.907  -2.989
   27    HD1  HIS   4           HD1      HIS   4   7.722  -9.533  -3.746
   28    HD2  HIS   4           HD2      HIS   4   6.673  -7.528  -0.262
   29    HE1  HIS   4           HE1      HIS   4   8.667 -10.911  -1.867
   30    HB2  HIS   4           1HB      HIS   4   5.516  -6.699  -2.635
   31    HB3  HIS   4           2HB      HIS   4   5.865  -7.703  -4.039
   32    H    VAL   5           H        VAL   5   9.453  -7.342  -3.946
   33    HA   VAL   5           HA       VAL   5   9.980  -6.933  -6.693
   34    HB   VAL   5           HB       VAL   5  11.787  -8.511  -6.449
   35   HG11  VAL   5          1HG1      VAL   5  12.864  -6.872  -5.410
   36   HG12  VAL   5          2HG1      VAL   5  11.359  -6.297  -4.690
   37   HG13  VAL   5          3HG1      VAL   5  12.319  -7.526  -3.865
   38   HG21  VAL   5          3HG2      VAL   5  10.231  -9.400  -4.063
   39   HG22  VAL   5          1HG2      VAL   5  11.001 -10.361  -5.326
   40   HG23  VAL   5          2HG2      VAL   5  11.983  -9.595  -4.077
   41    H    TRP   6           H        TRP   6  10.663  -9.251  -7.846
   42    HA   TRP   6           HA       TRP   6   8.095 -10.388  -8.511
   43    HD1  TRP   6           HD1      TRP   6   8.874 -13.299 -10.817
   44    HE1  TRP   6           HE1      TRP   6   7.184 -13.052 -12.743
   45    HE3  TRP   6           HE3      TRP   6   8.635  -8.197 -11.039
   46    HZ2  TRP   6           HZ2      TRP   6   5.918 -10.970 -14.168
   47    HZ3  TRP   6           HZ3      TRP   6   7.161  -7.157 -12.712
   48    HH2  TRP   6           HH2      TRP   6   5.831  -8.516 -14.243
   49    HB2  TRP   6           1HB      TRP   6  10.307  -9.873  -9.989
   50    HB3  TRP   6           2HB      TRP   6  10.541 -11.588  -9.661
   51    H    ASP   7           H        ASP   7   7.453 -12.515  -8.253
   52    HA   ASP   7           HA       ASP   7   8.129 -13.830  -5.917
   53    HB2  ASP   7           1HB      ASP   7   6.911 -14.904  -8.464
   54    HB3  ASP   7           2HB      ASP   7   7.031 -15.842  -6.978
   55    H    GLY   8           H        GLY   8   9.572 -14.069  -9.097
   56    HA2  GLY   8           1HA      GLY   8  11.866 -14.717  -9.339
   57    HA3  GLY   8           2HA      GLY   8  11.684 -15.751  -7.929
   58    H    VAL   9           H        VAL   9   9.203 -15.750 -10.341
   59    HA   VAL   9           HA       VAL   9  10.199 -18.336 -11.346
   60    HB   VAL   9           HB       VAL   9   7.291 -17.613 -10.980
   61   HG11  VAL   9          1HG1      VAL   9   8.086 -20.422 -11.151
   62   HG12  VAL   9          2HG1      VAL   9   6.779 -19.559 -11.965
   63   HG13  VAL   9          3HG1      VAL   9   8.419 -19.493 -12.613
   64   HG21  VAL   9          3HG2      VAL   9   9.260 -18.725  -9.105
   65   HG22  VAL   9          1HG2      VAL   9   7.720 -17.922  -8.794
   66   HG23  VAL   9          2HG2      VAL   9   7.752 -19.632  -9.224
  Start of MODEL   17
    1    HA   VAL   1           HA       VAL   1   2.058  -1.421   1.108
    2    HB   VAL   1           HB       VAL   1   1.107  -2.829  -1.390
    3    H1   VAL   1           1H       VAL   1   2.304  -0.404  -1.648
    4   HG11  VAL   1          1HG1      VAL   1   1.665  -4.536   0.061
    5   HG12  VAL   1          2HG1      VAL   1   1.252  -3.595   1.495
    6   HG13  VAL   1          3HG1      VAL   1  -0.026  -4.252   0.472
    7   HG21  VAL   1          3HG2      VAL   1  -0.519  -1.227  -1.111
    8   HG22  VAL   1          1HG2      VAL   1  -1.142  -2.514  -0.078
    9   HG23  VAL   1          2HG2      VAL   1  -0.291  -1.144   0.636
   10    H    ASP   2           H        ASP   2   3.480  -1.865  -2.090
   11    HA   ASP   2           HA       ASP   2   5.859  -2.989  -0.884
   12    HB2  ASP   2           1HB      ASP   2   4.001  -4.588  -2.606
   13    HB3  ASP   2           2HB      ASP   2   5.735  -4.887  -2.691
   14    H    ILE   3           H        ILE   3   7.547  -3.432  -2.623
   15    HA   ILE   3           HA       ILE   3   7.205  -1.624  -4.916
   16    HB   ILE   3           HB       ILE   3   9.613  -0.940  -4.606
   17   HG12  ILE   3          1HG1      ILE   3   9.226  -1.869  -1.763
   18   HG13  ILE   3          2HG1      ILE   3  10.045  -2.857  -2.968
   19   HG21  ILE   3          1HG2      ILE   3   7.325  -0.126  -2.918
   20   HG22  ILE   3          2HG2      ILE   3   8.911   0.494  -2.465
   21   HG23  ILE   3          3HG2      ILE   3   8.271   0.808  -4.077
   22   HD11  ILE   3          3HD1      ILE   3  10.952  -0.058  -2.516
   23   HD12  ILE   3          1HD1      ILE   3  11.405  -1.320  -1.371
   24   HD13  ILE   3          2HD1      ILE   3  11.862  -1.464  -3.069
   25    H    HIS   4           H        HIS   4   7.005  -4.479  -4.831
   26    HA   HIS   4           HA       HIS   4   8.691  -5.139  -7.004
   27    HD1  HIS   4           HD1      HIS   4   9.376  -8.600  -6.572
   28    HD2  HIS   4           HD2      HIS   4  12.322  -5.671  -6.611
   29    HE1  HIS   4           HE1      HIS   4  11.187  -9.488  -8.075
   30    HB2  HIS   4           1HB      HIS   4  10.234  -5.284  -4.927
   31    HB3  HIS   4           2HB      HIS   4   9.338  -6.752  -4.550
   32    H    VAL   5           H        VAL   5   7.727  -6.688  -8.166
   33    HA   VAL   5           HA       VAL   5   5.250  -7.779  -7.351
   34    HB   VAL   5           HB       VAL   5   5.249  -8.999  -9.430
   35   HG11  VAL   5          1HG1      VAL   5   4.983  -7.174 -10.713
   36   HG12  VAL   5          2HG1      VAL   5   5.351  -6.293  -9.229
   37   HG13  VAL   5          3HG1      VAL   5   6.623  -6.599 -10.413
   38   HG21  VAL   5          3HG2      VAL   5   8.168  -8.263  -9.640
   39   HG22  VAL   5          1HG2      VAL   5   7.514  -9.878  -9.367
   40   HG23  VAL   5          2HG2      VAL   5   7.219  -9.054 -10.898
   41    H    TRP   6           H        TRP   6   5.118 -10.361  -8.054
   42    HA   TRP   6           HA       TRP   6   7.108 -11.777  -6.422
   43    HD1  TRP   6           HD1      TRP   6   5.335 -15.001  -5.542
   44    HE1  TRP   6           HE1      TRP   6   6.401 -15.801  -3.340
   45    HE3  TRP   6           HE3      TRP   6   6.162 -10.460  -3.345
   46    HZ2  TRP   6           HZ2      TRP   6   7.452 -14.657  -0.983
   47    HZ3  TRP   6           HZ3      TRP   6   7.202 -10.400  -1.116
   48    HH2  TRP   6           HH2      TRP   6   7.832 -12.456   0.039
   49    HB2  TRP   6           1HB      TRP   6   4.763 -11.217  -5.313
   50    HB3  TRP   6           2HB      TRP   6   4.253 -12.629  -6.234
   51    H    ASP   7           H        ASP   7   8.078 -13.065  -7.853
   52    HA   ASP   7           HA       ASP   7   6.518 -15.059  -9.239
   53    HB2  ASP   7           1HB      ASP   7   7.867 -12.813 -10.675
   54    HB3  ASP   7           2HB      ASP   7   7.888 -14.414 -11.410
   55    H    GLY   8           H        GLY   8   8.680 -14.795  -7.192
   56    HA2  GLY   8           1HA      GLY   8  10.301 -16.380  -6.602
   57    HA3  GLY   8           2HA      GLY   8  10.385 -16.887  -8.283
   58    H    VAL   9           H        VAL   9  10.565 -13.512  -7.606
   59    HA   VAL   9           HA       VAL   9  13.452 -13.581  -8.195
   60    HB   VAL   9           HB       VAL   9  11.497 -11.349  -8.767
   61   HG11  VAL   9          1HG1      VAL   9  14.449 -11.654  -9.149
   62   HG12  VAL   9          2HG1      VAL   9  13.509 -10.612 -10.219
   63   HG13  VAL   9          3HG1      VAL   9  13.543 -10.295  -8.484
   64   HG21  VAL   9          3HG2      VAL   9  12.654 -12.356 -11.131
   65   HG22  VAL   9          1HG2      VAL   9  12.083 -13.747 -10.209
   66   HG23  VAL   9          2HG2      VAL   9  10.967 -12.446 -10.625
  Start of MODEL   18
    1    HA   VAL   1           HA       VAL   1   1.370   0.120  -2.249
    2    HB   VAL   1           HB       VAL   1   2.251   0.385   0.629
    3    H1   VAL   1           1H       VAL   1   0.038  -1.283  -0.048
    4   HG11  VAL   1          1HG1      VAL   1   3.798   2.096  -0.354
    5   HG12  VAL   1          2HG1      VAL   1   4.145   0.430  -0.819
    6   HG13  VAL   1          3HG1      VAL   1   3.329   1.510  -1.949
    7   HG21  VAL   1          3HG2      VAL   1   0.292   1.708   0.369
    8   HG22  VAL   1          1HG2      VAL   1   1.669   2.806   0.276
    9   HG23  VAL   1          2HG2      VAL   1   0.831   2.315  -1.196
   10    H    ASP   2           H        ASP   2   3.253  -0.822  -2.952
   11    HA   ASP   2           HA       ASP   2   4.404  -3.033  -1.451
   12    HB2  ASP   2           1HB      ASP   2   2.867  -3.339  -3.981
   13    HB3  ASP   2           2HB      ASP   2   4.339  -4.292  -3.807
   14    H    ILE   3           H        ILE   3   6.549  -3.352  -1.863
   15    HA   ILE   3           HA       ILE   3   7.754  -1.791  -4.047
   16    HB   ILE   3           HB       ILE   3   9.703  -1.359  -2.493
   17   HG12  ILE   3          1HG1      ILE   3   7.753  -1.766  -0.249
   18   HG13  ILE   3          2HG1      ILE   3   8.725  -3.116  -0.825
   19   HG21  ILE   3          1HG2      ILE   3   7.042  -0.088  -2.417
   20   HG22  ILE   3          2HG2      ILE   3   8.165   0.380  -1.142
   21   HG23  ILE   3          3HG2      ILE   3   8.615   0.591  -2.834
   22   HD11  ILE   3          3HD1      ILE   3  10.149  -0.602  -0.205
   23   HD12  ILE   3          1HD1      ILE   3   9.498  -1.523   1.151
   24   HD13  ILE   3          2HD1      ILE   3  10.639  -2.278   0.037
   25    H    HIS   4           H        HIS   4   7.096  -4.640  -3.801
   26    HA   HIS   4           HA       HIS   4   9.741  -5.679  -4.450
   27    HD1  HIS   4           HD1      HIS   4  10.357  -7.963  -4.907
   28    HD2  HIS   4           HD2      HIS   4  10.693  -8.000  -0.766
   29    HE1  HIS   4           HE1      HIS   4  12.352  -9.411  -4.407
   30    HB2  HIS   4           1HB      HIS   4   8.978  -6.134  -1.958
   31    HB3  HIS   4           2HB      HIS   4   8.025  -7.406  -2.717
   32    H    VAL   5           H        VAL   5   9.657  -6.813  -6.273
   33    HA   VAL   5           HA       VAL   5   7.228  -7.262  -7.649
   34    HB   VAL   5           HB       VAL   5   8.542  -8.376  -9.338
   35   HG11  VAL   5          1HG1      VAL   5   8.766  -5.820  -8.779
   36   HG12  VAL   5          2HG1      VAL   5  10.429  -6.271  -8.398
   37   HG13  VAL   5          3HG1      VAL   5   9.781  -6.568 -10.012
   38   HG21  VAL   5          3HG2      VAL   5  10.529  -8.646  -7.126
   39   HG22  VAL   5          1HG2      VAL   5   9.977  -9.846  -8.296
   40   HG23  VAL   5          2HG2      VAL   5  11.091  -8.573  -8.796
   41    H    TRP   6           H        TRP   6   7.247  -9.699  -8.759
   42    HA   TRP   6           HA       TRP   6   6.290 -11.363  -6.614
   43    HD1  TRP   6           HD1      TRP   6   3.683 -13.569  -7.951
   44    HE1  TRP   6           HE1      TRP   6   1.455 -12.298  -7.739
   45    HE3  TRP   6           HE3      TRP   6   5.330  -8.853  -9.042
   46    HZ2  TRP   6           HZ2      TRP   6   0.519  -9.648  -8.000
   47    HZ3  TRP   6           HZ3      TRP   6   3.704  -7.006  -9.040
   48    HH2  TRP   6           HH2      TRP   6   1.349  -7.398  -8.530
   49    HB2  TRP   6           1HB      TRP   6   6.230 -11.452  -9.589
   50    HB3  TRP   6           2HB      TRP   6   6.058 -12.979  -8.727
   51    H    ASP   7           H        ASP   7   7.628 -12.548  -5.431
   52    HA   ASP   7           HA       ASP   7  10.274 -13.182  -6.141
   53    HB2  ASP   7           1HB      ASP   7   9.143 -13.110  -3.804
   54    HB3  ASP   7           2HB      ASP   7   8.708 -14.784  -4.138
   55    H    GLY   8           H        GLY   8  11.058 -14.687  -7.456
   56    HA2  GLY   8           1HA      GLY   8  11.192 -17.039  -8.052
   57    HA3  GLY   8           2HA      GLY   8   9.440 -17.109  -7.931
   58    H    VAL   9           H        VAL   9   9.558 -14.337  -9.340
   59    HA   VAL   9           HA       VAL   9   9.534 -15.477 -12.042
   60    HB   VAL   9           HB       VAL   9   8.441 -12.811 -11.137
   61   HG11  VAL   9          1HG1      VAL   9   8.983 -13.774 -13.686
   62   HG12  VAL   9          2HG1      VAL   9   7.247 -14.013 -13.481
   63   HG13  VAL   9          3HG1      VAL   9   7.948 -12.408 -13.271
   64   HG21  VAL   9          3HG2      VAL   9   7.149 -15.516 -11.348
   65   HG22  VAL   9          1HG2      VAL   9   7.152 -14.398  -9.983
   66   HG23  VAL   9          2HG2      VAL   9   6.214 -14.023 -11.428
  Start of MODEL   19
    1    HA   VAL   1           HA       VAL   1   2.263   1.685  -1.760
    2    HB   VAL   1           HB       VAL   1   1.077   2.101   0.328
    3    H1   VAL   1           1H       VAL   1  -0.084   0.627  -1.323
    4   HG11  VAL   1          1HG1      VAL   1   1.202   0.613   2.214
    5   HG12  VAL   1          2HG1      VAL   1   0.564  -0.276   0.830
    6   HG13  VAL   1          3HG1      VAL   1   2.244  -0.495   1.322
    7   HG21  VAL   1          3HG2      VAL   1   3.710   1.276   1.375
    8   HG22  VAL   1          1HG2      VAL   1   3.729   2.312  -0.052
    9   HG23  VAL   1          2HG2      VAL   1   2.913   2.849   1.417
   10    H    ASP   2           H        ASP   2   1.878  -1.666  -0.824
   11    HA   ASP   2           HA       ASP   2   4.531  -2.305  -0.229
   12    HB2  ASP   2           1HB      ASP   2   2.227  -3.913  -1.301
   13    HB3  ASP   2           2HB      ASP   2   3.813  -4.645  -1.071
   14    H    ILE   3           H        ILE   3   6.312  -2.456  -1.423
   15    HA   ILE   3           HA       ILE   3   6.026  -2.400  -4.352
   16    HB   ILE   3           HB       ILE   3   8.370  -1.521  -4.358
   17   HG12  ILE   3          1HG1      ILE   3   8.009  -0.836  -1.465
   18   HG13  ILE   3          2HG1      ILE   3   8.665  -2.410  -1.901
   19   HG21  ILE   3          1HG2      ILE   3   6.148   0.003  -3.035
   20   HG22  ILE   3          2HG2      ILE   3   7.688   0.761  -3.438
   21   HG23  ILE   3          3HG2      ILE   3   6.686   0.070  -4.713
   22   HD11  ILE   3          3HD1      ILE   3  10.010   0.057  -1.695
   23   HD12  ILE   3          1HD1      ILE   3  10.663  -1.512  -2.165
   24   HD13  ILE   3          2HD1      ILE   3  10.031  -0.416  -3.394
   25    H    HIS   4           H        HIS   4   5.827  -4.843  -2.957
   26    HA   HIS   4           HA       HIS   4   8.252  -6.264  -2.806
   27    HD1  HIS   4           HD1      HIS   4   8.251  -9.133  -3.818
   28    HD2  HIS   4           HD2      HIS   4   6.421  -8.668  -0.118
   29    HE1  HIS   4           HE1      HIS   4   9.161 -10.985  -2.380
   30    HB2  HIS   4           1HB      HIS   4   5.798  -6.848  -2.000
   31    HB3  HIS   4           2HB      HIS   4   5.728  -7.675  -3.553
   32    H    VAL   5           H        VAL   5   9.559  -7.008  -4.338
   33    HA   VAL   5           HA       VAL   5   9.076  -6.551  -7.085
   34    HB   VAL   5           HB       VAL   5  11.157  -7.696  -7.508
   35   HG11  VAL   5          1HG1      VAL   5  11.399  -5.474  -6.650
   36   HG12  VAL   5          2HG1      VAL   5  11.217  -6.042  -4.989
   37   HG13  VAL   5          3HG1      VAL   5  12.649  -6.482  -5.921
   38   HG21  VAL   5          3HG2      VAL   5  10.819  -8.743  -4.709
   39   HG22  VAL   5          1HG2      VAL   5  10.999  -9.658  -6.206
   40   HG23  VAL   5          2HG2      VAL   5  12.369  -8.761  -5.551
   41    H    TRP   6           H        TRP   6   9.828  -8.690  -8.511
   42    HA   TRP   6           HA       TRP   6   7.471 -10.317  -8.485
   43    HD1  TRP   6           HD1      TRP   6   6.888 -11.430 -11.913
   44    HE1  TRP   6           HE1      TRP   6   5.613  -9.555 -13.131
   45    HE3  TRP   6           HE3      TRP   6   9.218  -7.382  -9.835
   46    HZ2  TRP   6           HZ2      TRP   6   5.597  -6.733 -13.201
   47    HZ3  TRP   6           HZ3      TRP   6   8.514  -5.130 -10.531
   48    HH2  TRP   6           HH2      TRP   6   6.741  -4.814 -12.180
   49    HB2  TRP   6           1HB      TRP   6   9.884 -10.077 -10.228
   50    HB3  TRP   6           2HB      TRP   6   8.913 -11.542 -10.339
   51    H    ASP   7           H        ASP   7   7.291 -12.517  -8.088
   52    HA   ASP   7           HA       ASP   7   8.688 -13.583  -5.952
   53    HB2  ASP   7           1HB      ASP   7   7.797 -15.832  -6.863
   54    HB3  ASP   7           2HB      ASP   7   6.628 -14.594  -6.412
   55    H    GLY   8           H        GLY   8   9.391 -13.756  -9.383
   56    HA2  GLY   8           1HA      GLY   8  11.570 -14.072 -10.243
   57    HA3  GLY   8           2HA      GLY   8  12.031 -14.839  -8.730
   58    H    VAL   9           H        VAL   9   9.341 -16.369  -9.065
   59    HA   VAL   9           HA       VAL   9  10.503 -18.486 -10.744
   60    HB   VAL   9           HB       VAL   9   8.912 -20.005  -9.564
   61   HG11  VAL   9          1HG1      VAL   9  10.325 -20.347  -7.768
   62   HG12  VAL   9          2HG1      VAL   9  11.347 -19.415  -8.864
   63   HG13  VAL   9          3HG1      VAL   9  10.566 -18.622  -7.495
   64   HG21  VAL   9          3HG2      VAL   9   8.471 -18.300  -7.282
   65   HG22  VAL   9          1HG2      VAL   9   7.747 -17.608  -8.734
   66   HG23  VAL   9          2HG2      VAL   9   7.310 -19.238  -8.222
  Start of MODEL   20
    1    HA   VAL   1           HA       VAL   1   0.001  -2.107  -1.678
    2    HB   VAL   1           HB       VAL   1   0.418  -2.520  -4.641
    3    H1   VAL   1           1H       VAL   1   0.931  -0.193  -3.510
    4   HG11  VAL   1          1HG1      VAL   1  -1.693  -3.957  -4.225
    5   HG12  VAL   1          2HG1      VAL   1  -0.115  -4.601  -3.764
    6   HG13  VAL   1          3HG1      VAL   1  -1.184  -3.921  -2.537
    7   HG21  VAL   1          3HG2      VAL   1  -1.406  -0.780  -3.185
    8   HG22  VAL   1          1HG2      VAL   1  -1.016  -0.828  -4.904
    9   HG23  VAL   1          2HG2      VAL   1  -2.241  -1.913  -4.247
   10    H    ASP   2           H        ASP   2   2.633  -2.353  -4.072
   11    HA   ASP   2           HA       ASP   2   3.766  -4.540  -2.453
   12    HB2  ASP   2           1HB      ASP   2   4.015  -4.105  -5.437
   13    HB3  ASP   2           2HB      ASP   2   4.766  -5.412  -4.526
   14    H    ILE   3           H        ILE   3   5.718  -4.214  -1.608
   15    HA   ILE   3           HA       ILE   3   7.317  -1.965  -2.644
   16    HB   ILE   3           HB       ILE   3   8.325  -1.860  -0.355
   17   HG12  ILE   3          1HG1      ILE   3   5.962  -3.521   0.511
   18   HG13  ILE   3          2HG1      ILE   3   7.545  -4.229   0.212
   19   HG21  ILE   3          1HG2      ILE   3   5.384  -1.351  -0.721
   20   HG22  ILE   3          2HG2      ILE   3   6.284  -0.806   0.693
   21   HG23  ILE   3          3HG2      ILE   3   6.718  -0.215  -0.911
   22   HD11  ILE   3          3HD1      ILE   3   7.943  -2.018   1.909
   23   HD12  ILE   3          1HD1      ILE   3   6.572  -2.927   2.546
   24   HD13  ILE   3          2HD1      ILE   3   8.120  -3.732   2.284
   25    H    HIS   4           H        HIS   4   7.415  -4.690  -3.617
   26    HA   HIS   4           HA       HIS   4  10.262  -5.110  -3.344
   27    HD1  HIS   4           HD1      HIS   4  10.231  -8.792  -4.189
   28    HD2  HIS   4           HD2      HIS   4  11.692  -7.000  -0.738
   29    HE1  HIS   4           HE1      HIS   4  12.448  -9.894  -3.746
   30    HB2  HIS   4           1HB      HIS   4   9.115  -6.419  -1.470
   31    HB3  HIS   4           2HB      HIS   4   8.448  -7.441  -2.739
   32    H    VAL   5           H        VAL   5  11.158  -6.266  -5.053
   33    HA   VAL   5           HA       VAL   5   9.729  -6.192  -7.490
   34    HB   VAL   5           HB       VAL   5  11.672  -7.192  -8.510
   35   HG11  VAL   5          1HG1      VAL   5  12.953  -5.531  -6.409
   36   HG12  VAL   5          2HG1      VAL   5  13.102  -5.449  -8.165
   37   HG13  VAL   5          3HG1      VAL   5  11.667  -4.802  -7.369
   38   HG21  VAL   5          3HG2      VAL   5  12.486  -7.871  -5.690
   39   HG22  VAL   5          1HG2      VAL   5  12.156  -8.986  -7.016
   40   HG23  VAL   5          2HG2      VAL   5  13.581  -7.948  -7.070
   41    H    TRP   6           H        TRP   6  10.218  -8.415  -8.902
   42    HA   TRP   6           HA       TRP   6   8.234 -10.232  -7.909
   43    HD1  TRP   6           HD1      TRP   6   6.683 -11.824 -10.857
   44    HE1  TRP   6           HE1      TRP   6   4.798 -10.257 -11.643
   45    HE3  TRP   6           HE3      TRP   6   8.928  -7.326  -9.929
   46    HZ2  TRP   6           HZ2      TRP   6   4.327  -7.481 -11.844
   47    HZ3  TRP   6           HZ3      TRP   6   7.693  -5.262 -10.447
   48    HH2  TRP   6           HH2      TRP   6   5.440  -5.340 -11.385
   49    HB2  TRP   6           1HB      TRP   6   9.827  -9.963 -10.418
   50    HB3  TRP   6           2HB      TRP   6   9.099 -11.527 -10.059
   51    H    ASP   7           H        ASP   7   8.502 -12.133  -6.904
   52    HA   ASP   7           HA       ASP   7  11.257 -13.016  -6.391
   53    HB2  ASP   7           1HB      ASP   7  10.343 -14.193  -4.443
   54    HB3  ASP   7           2HB      ASP   7   9.926 -12.482  -4.398
   55    H    GLY   8           H        GLY   8  10.041 -13.633  -8.875
   56    HA2  GLY   8           1HA      GLY   8  10.292 -15.581 -10.177
   57    HA3  GLY   8           2HA      GLY   8  10.164 -16.547  -8.715
   58    H    VAL   9           H        VAL   9   7.731 -14.707  -8.101
   59    HA   VAL   9           HA       VAL   9   5.829 -16.218  -9.773
   60    HB   VAL   9           HB       VAL   9   4.227 -15.911  -7.830
   61   HG11  VAL   9          1HG1      VAL   9   6.357 -17.794  -8.216
   62   HG12  VAL   9          2HG1      VAL   9   6.013 -17.614  -6.494
   63   HG13  VAL   9          3HG1      VAL   9   4.723 -18.065  -7.610
   64   HG21  VAL   9          3HG2      VAL   9   4.958 -15.232  -5.745
   65   HG22  VAL   9          1HG2      VAL   9   6.651 -15.554  -6.119
   66   HG23  VAL   9          2HG2      VAL   9   5.848 -14.145  -6.811