*HEADER    DE NOVO PROTEIN                         23-MAY-06   2H3S              
*TITLE     CIS-AZOBENZENE-AVIAN PANCREATIC POLYPEPTIDE BOUND TO DPC              
*TITLE    2 MICELLES                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PANCREATIC HORMONE;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: PANCREATIC HORMONE, RESIDUES 1-9;                          
*COMPND   5 SYNONYM: PANCREATIC POLYPEPTIDE, APP;                                
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: PANCREATIC HORMONE;                                        
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 FRAGMENT: PANCREATIC HORMONE, RESIDUES 11-34;                        
*COMPND  11 SYNONYM: PANCREATIC POLYPEPTIDE, APP;                                
*COMPND  12 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SYNTHESIZED BY SOLID-PHASE PEPTIDE                    
*SOURCE   4 SYNTHESIS, HOMOLOGOUS TO AVIAN PANCREATIC POLYPEPTIDE;               
*SOURCE   5 RESIDUES 10-12 OF APP ARE REPLACED BY 4-AMINOMETHYL-                 
*SOURCE   6 PHENYLAZOBENZOIC ACID.;                                              
*SOURCE   7 MOL_ID: 2;                                                           
*SOURCE   8 SYNTHETIC: YES;                                                      
*SOURCE   9 OTHER_DETAILS: SYNTHESIZED BY SOLID-PHASE PEPTIDE                    
*SOURCE  10 SYNTHESIS, HOMOLOGOUS TO AVIAN PANCREATIC POLYPEPTIDE                
*KEYWDS    PP FOLDING, PHOTOSWITCH                                               
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    S.JURT, A.AEMISSEGGER, P.GUENTERT, O.ZERBE, D.HILVERT                 
*REVDAT   1   12-SEP-06 2H3S    0                                                

  3 SER  HN      3 SER  HA      2.83                
  3 SER  HB2     4 GLN  HN      4.91                
  3 SER  HB3     4 GLN  HN      4.91                
  3 SER  QB      4 GLN  HN      4.10                
  4 GLN  HN      4 GLN  HG2     5.50                
  4 GLN  HN      4 GLN  HG3     5.50                
  4 GLN  HN      5 PRO  QD      6.38                
  5 PRO  HA      6 THR  HN      2.96                
  6 THR  HN      6 THR  HB      3.58                
  6 THR  HA      7 TYR  HN      3.14                
  6 THR  HB      7 TYR  HN      3.76                
  6 THR  QG2     7 TYR  HN      6.53                
  7 TYR  HN      7 TYR  HB2     3.86                
  7 TYR  HN      7 TYR  HB3     3.86                
  7 TYR  HN      7 TYR  QB      3.58                
  7 TYR  HN      8 PRO  QD      6.38                
  7 TYR  HA      8 PRO  HD2     3.64                
  7 TYR  HA      8 PRO  HD3     3.64                
  7 TYR  HA      8 PRO  QD      3.35                
  7 TYR  HB2     8 PRO  HD2     7.25                
  7 TYR  HB2     8 PRO  HD3     7.25                
  7 TYR  HB3     8 PRO  HD2     7.25                
  7 TYR  HB3     8 PRO  HD3     7.25                
  7 TYR  QB      8 PRO  QD      6.30                
  7 TYR  QD      8 PRO  QD      8.52                
  8 PRO  HA      9 GLY  HN      3.11                
  9 GLY  HN     10 AZO  HN      3.83                
 10 AZO  HN     10 AZO  HG2     5.50                
 10 AZO  HN     10 AZO  HG1     5.16                
 10 AZO  HG2    15 LEU  QQD     7.63                
 10 AZO  HE     10 AZO  HJ2     5.50                
 10 AZO  HE     10 AZO  HJ1     5.50                
 10 AZO  HG1    10 AZO  HJ1     3.92                
 10 AZO  HL     11 PRO  HD2     5.50                
 10 AZO  HL     11 PRO  HD3     5.50                
 10 AZO  HJ1    11 PRO  HD2     5.50                
 10 AZO  HJ1    11 PRO  HD3     5.50                
 11 PRO  HA     12 VAL  HN      3.02                
 11 PRO  HA     13 GLU  HN      4.91                
 11 PRO  QB     14 ASP  HN      5.48                
 12 VAL  HN     12 VAL  HB      3.24                
 12 VAL  HN     13 GLU  HN      3.67                
 12 VAL  HA     14 ASP  HN      4.97                
 12 VAL  HA     15 LEU  HN      4.01                
 12 VAL  HA     15 LEU  HG      5.13                
 12 VAL  HA     15 LEU  QQD     6.55                
 12 VAL  HB     13 GLU  HN      3.61                
 12 VAL  QG1    13 GLU  HN      6.53                
 12 VAL  QG1    13 GLU  HA      6.09                
 12 VAL  QG2    13 GLU  HN      6.53                
 12 VAL  QG2    13 GLU  HA      6.09                
 12 VAL  QQG    13 GLU  HN      6.17                
 12 VAL  QQG    13 GLU  HA      5.53                
 13 GLU  HN     13 GLU  QG      6.28                
 13 GLU  HN     14 ASP  HN      3.58                
 13 GLU  HA     16 ILE  HN      3.95                
 13 GLU  HA     16 ILE  HB      3.17                
 13 GLU  HA     17 ARG  HN      5.41                
 14 ASP  HN     14 ASP  HB2     3.67                
 14 ASP  HN     14 ASP  HB3     3.67                
 14 ASP  HN     14 ASP  QB      3.36                
 14 ASP  HN     15 LEU  HN      3.30                
 14 ASP  HA     15 LEU  HN      3.45                
 14 ASP  HA     17 ARG  HN      4.11                
 14 ASP  HA     17 ARG  HE      5.50                
 14 ASP  HB2    15 LEU  HN      4.23                
 14 ASP  HB3    15 LEU  HN      4.23                
 14 ASP  QB     15 LEU  HN      3.97                
 15 LEU  HN     15 LEU  HB2     3.27                
 15 LEU  HN     15 LEU  HB3     3.27                
 15 LEU  HN     15 LEU  QB      3.04                
 15 LEU  HN     15 LEU  HG      4.26                
 15 LEU  HN     15 LEU  QQD     7.63                
 15 LEU  HN     16 ILE  HN      3.48                
 15 LEU  HA     18 PHE  QB      4.36                
 15 LEU  HA     18 PHE  QD      7.62                
 15 LEU  HG     18 PHE  QB      6.38                
 15 LEU  HG     19 TYR  QD      7.64                
 15 LEU  HG     19 TYR  QE      7.63                
 15 LEU  QQD    18 PHE  QB      8.51                
 15 LEU  QQD    18 PHE  QD      9.75                
 15 LEU  QQD    18 PHE  QE      9.75                
 15 LEU  QQD    18 PHE  HZ      7.63                
 15 LEU  QQD    19 TYR  QD      9.77                
 15 LEU  QQD    19 TYR  QE      9.76                
 16 ILE  HN     16 ILE  HB      2.74                
 16 ILE  HN     16 ILE  HG12    4.63                
 16 ILE  HN     16 ILE  HG13    4.63                
 16 ILE  HN     16 ILE  QG1     4.02                
 16 ILE  HN     16 ILE  QD1     5.47                
 16 ILE  HN     17 ARG  HN      3.64                
 16 ILE  HN     18 PHE  QD      7.62                
 16 ILE  HA     16 ILE  HG12    3.95                
 16 ILE  HA     16 ILE  HG13    3.95                
 16 ILE  HA     16 ILE  QG1     3.64                
 16 ILE  HA     19 TYR  HN      3.98                
 16 ILE  HA     19 TYR  HB2     3.61                
 16 ILE  HA     19 TYR  HB3     3.61                
 16 ILE  HA     19 TYR  QB      3.30                
 16 ILE  HA     19 TYR  QD      7.64                
 16 ILE  HA     20 ASN  HN      4.20                
 16 ILE  QG2    17 ARG  HN      6.37                
 16 ILE  QG2    17 ARG  HA      5.54                
 16 ILE  QG2    19 TYR  QD      8.67                
 16 ILE  QG2    19 TYR  QE      8.66                
 16 ILE  QG2    20 ASN  HN      6.53                
 16 ILE  QG2    20 ASN  HD21    5.75                
 16 ILE  QG2    20 ASN  HD22    5.75                
 16 ILE  QG2    20 ASN  QD2     5.53                
 17 ARG  HN     17 ARG  QB      3.87                
 17 ARG  HN     17 ARG  HG2     5.50                
 17 ARG  HN     17 ARG  HG3     5.50                
 17 ARG  HN     17 ARG  QG      5.24                
 17 ARG  HN     18 PHE  HN      3.64                
 17 ARG  HA     17 ARG  HG2     4.14                
 17 ARG  HA     17 ARG  HG3     4.14                
 17 ARG  HA     17 ARG  QG      3.95                
 17 ARG  HA     19 TYR  HN      4.04                
 17 ARG  HA     20 ASN  HN      4.04                
 17 ARG  HA     20 ASN  HB2     3.70                
 17 ARG  HA     20 ASN  HB3     3.70                
 17 ARG  HA     20 ASN  QB      3.39                
 17 ARG  HA     20 ASN  HD21    5.50                
 17 ARG  HA     20 ASN  HD22    5.50                
 17 ARG  HA     21 ASP  HN      5.22                
 17 ARG  QB     17 ARG  HE      6.38                
 18 PHE  HN     19 TYR  HN      3.42                
 18 PHE  HA     21 ASP  HN      4.01                
 18 PHE  HA     21 ASP  QB      4.55                
 18 PHE  QB     22 LEU  QQD     8.51                
 18 PHE  QD     19 TYR  HN      7.62                
 18 PHE  QD     22 LEU  QQD     9.75                
 18 PHE  QE     22 LEU  QQD     9.75                
 18 PHE  HZ     22 LEU  QQD     7.63                
 19 TYR  HN     19 TYR  HB2     3.21                
 19 TYR  HN     19 TYR  HB3     3.21                
 19 TYR  HN     19 TYR  QB      2.93                
 19 TYR  HB2    20 ASN  HN      3.45                
 19 TYR  HB3    20 ASN  HN      3.45                
 19 TYR  QB     20 ASN  HN      3.14                
 19 TYR  QD     20 ASN  HN      7.64                
 19 TYR  QD     22 LEU  QQD     9.77                
 19 TYR  QD     23 GLN  QB      8.52                
 19 TYR  QD     23 GLN  HG2     7.64                
 19 TYR  QD     23 GLN  HG3     7.64                
 19 TYR  QE     22 LEU  QQD     9.76                
 19 TYR  QE     23 GLN  QB      8.51                
 19 TYR  QE     23 GLN  HG2     7.63                
 19 TYR  QE     23 GLN  HG3     7.63                
 20 ASN  HN     20 ASN  HB2     3.55                
 20 ASN  HN     20 ASN  HB3     3.55                
 20 ASN  HN     20 ASN  QB      3.23                
 20 ASN  HN     20 ASN  QD2     6.37                
 20 ASN  HN     21 ASP  HN      3.58                
 20 ASN  HA     20 ASN  HD21    5.50                
 20 ASN  HA     20 ASN  HD22    5.50                
 20 ASN  HA     23 GLN  HN      4.07                
 20 ASN  HA     23 GLN  QB      4.58                
 20 ASN  HA     23 GLN  HG2     5.03                
 20 ASN  HA     23 GLN  HG3     5.03                
 20 ASN  HA     23 GLN  QG      4.80                
 20 ASN  HA     23 GLN  HE21    5.50                
 20 ASN  HA     23 GLN  HE22    5.50                
 20 ASN  HB2    21 ASP  HN      4.01                
 20 ASN  HB3    21 ASP  HN      4.01                
 20 ASN  QB     21 ASP  HN      3.76                
 21 ASP  HN     21 ASP  HB2     3.61                
 21 ASP  HN     21 ASP  HB3     3.61                
 21 ASP  HN     21 ASP  QB      3.27                
 21 ASP  HN     22 LEU  HN      3.48                
 21 ASP  HN     23 GLN  HN      4.20                
 21 ASP  HA     24 GLN  HN      3.55                
 21 ASP  HA     24 GLN  HB2     3.80                
 21 ASP  HA     24 GLN  HB3     3.80                
 21 ASP  HA     24 GLN  QG      6.38                
 21 ASP  HB2    22 LEU  HN      4.04                
 21 ASP  HB3    22 LEU  HN      4.04                
 21 ASP  QB     22 LEU  HN      3.73                
 22 LEU  HN     22 LEU  HG      3.58                
 22 LEU  HN     22 LEU  QQD     7.63                
 22 LEU  HN     24 GLN  HN      5.41                
 22 LEU  HA     22 LEU  HG      2.99                
 22 LEU  HA     25 TYR  HN      4.23                
 22 LEU  QQD    23 GLN  HA      7.63                
 22 LEU  QQD    25 TYR  HB2     7.63                
 22 LEU  QQD    25 TYR  HB3     7.63                
 22 LEU  QQD    25 TYR  QD      9.77                
 22 LEU  QQD    25 TYR  QE      9.76                
 22 LEU  QQD    26 LEU  HN      7.63                
 22 LEU  QQD    26 LEU  QB      8.51                
 23 GLN  HN     23 GLN  HG2     4.29                
 23 GLN  HN     23 GLN  HG3     4.29                
 23 GLN  HN     23 GLN  QG      4.14                
 23 GLN  HN     24 GLN  HN      3.21                
 23 GLN  HA     23 GLN  QG      3.91                
 23 GLN  HA     25 TYR  HN      4.82                
 23 GLN  HA     26 LEU  HN      3.95                
 23 GLN  HA     26 LEU  QB      4.05                
 23 GLN  HA     26 LEU  HG      3.95                
 23 GLN  HA     26 LEU  QQD     6.39                
 23 GLN  HA     27 ASN  HN      4.66                
 23 GLN  QB     23 GLN  HE21    6.38                
 23 GLN  QB     23 GLN  HE22    6.38                
 24 GLN  HN     24 GLN  HB2     3.05                
 24 GLN  HN     24 GLN  HB3     3.05                
 24 GLN  HN     24 GLN  QB      2.76                
 24 GLN  HN     24 GLN  QG      5.42                
 24 GLN  HN     25 TYR  HN      3.17                
 24 GLN  HN     26 LEU  HN      5.28                
 24 GLN  HA     24 GLN  HB2     2.96                
 24 GLN  HA     24 GLN  HB3     2.96                
 24 GLN  HA     25 TYR  HN      3.45                
 24 GLN  HA     27 ASN  HN      3.64                
 24 GLN  HA     27 ASN  HB2     3.70                
 24 GLN  HA     27 ASN  HB3     3.70                
 24 GLN  HA     27 ASN  QB      3.46                
 24 GLN  HA     27 ASN  HD21    5.50                
 24 GLN  HA     27 ASN  HD22    5.50                
 24 GLN  HB2    25 TYR  HN      3.76                
 24 GLN  HB2    25 TYR  QD      7.64                
 24 GLN  HB3    25 TYR  HN      3.76                
 24 GLN  HB3    25 TYR  QD      7.64                
 24 GLN  QG     25 TYR  HN      6.38                
 24 GLN  QG     25 TYR  QD      8.52                
 25 TYR  HN     25 TYR  HB2     3.17                
 25 TYR  HN     25 TYR  HB3     3.17                
 25 TYR  HN     26 LEU  HN      3.24                
 25 TYR  HA     28 VAL  HN      4.07                
 25 TYR  HA     28 VAL  HB      3.58                
 25 TYR  HA     29 VAL  HB      4.35                
 25 TYR  QD     26 LEU  HN      7.64                
 25 TYR  QD     26 LEU  HA      6.49                
 25 TYR  QD     26 LEU  QB      8.52                
 25 TYR  QD     26 LEU  HG      7.64                
 25 TYR  QD     26 LEU  QQD     9.77                
 25 TYR  QD     28 VAL  QQG    10.23                
 25 TYR  QD     29 VAL  QG1     8.67                
 25 TYR  QD     29 VAL  QG2     8.67                
 25 TYR  QE     26 LEU  QQD     9.76                
 25 TYR  QE     29 VAL  QG1     8.66                
 25 TYR  QE     29 VAL  QG2     8.66                
 26 LEU  HN     26 LEU  HG      3.92                
 26 LEU  HN     26 LEU  QQD     7.38                
 26 LEU  HN     27 ASN  HN      3.42                
 26 LEU  HN     28 VAL  HN      5.50                
 26 LEU  HA     26 LEU  HG      2.99                
 26 LEU  HA     27 ASN  HN      3.24                
 26 LEU  HA     28 VAL  HN      4.23                
 26 LEU  HA     29 VAL  HN      3.64                
 26 LEU  HA     29 VAL  HB      3.45                
 26 LEU  HA     29 VAL  QG1     6.16                
 26 LEU  HA     29 VAL  QG2     6.16                
 26 LEU  HA     29 VAL  QQG     5.19                
 26 LEU  HA     30 THR  HN      4.20                
 26 LEU  HA     30 THR  QG2     6.53                
 26 LEU  QB     27 ASN  HN      4.33                
 26 LEU  HG     27 ASN  HN      4.60                
 26 LEU  QQD    27 ASN  HN      7.63                
 27 ASN  HN     27 ASN  HB2     3.27                
 27 ASN  HN     27 ASN  HB3     3.27                
 27 ASN  HN     27 ASN  QB      3.02                
 27 ASN  HN     27 ASN  HD21    5.50                
 27 ASN  HN     27 ASN  HD22    5.50                
 27 ASN  HN     28 VAL  HN      3.36                
 27 ASN  HA     27 ASN  HB2     3.05                
 27 ASN  HA     27 ASN  HB3     3.05                
 27 ASN  HA     27 ASN  HD21    5.50                
 27 ASN  HA     27 ASN  HD22    5.50                
 27 ASN  HA     29 VAL  HN      4.14                
 27 ASN  HA     31 ARG+ HN      4.17                
 27 ASN  HB2    28 VAL  HN      3.89                
 27 ASN  HB2    28 VAL  QG1     9.65                
 27 ASN  HB2    28 VAL  QG2     9.65                
 27 ASN  HB3    28 VAL  HN      3.89                
 27 ASN  HB3    28 VAL  QG1     9.65                
 27 ASN  HB3    28 VAL  QG2     9.65                
 27 ASN  QB     28 VAL  QQG     8.04                
 28 VAL  HN     28 VAL  HB      2.93                
 28 VAL  HN     29 VAL  HN      3.17                
 28 VAL  HN     30 THR  HN      4.48                
 28 VAL  HA     30 THR  HN      5.19                
 28 VAL  HA     31 ARG+ HN      4.20                
 28 VAL  HA     31 ARG+ QB      5.14                
 28 VAL  HA     31 ARG+ QG      6.38                
 28 VAL  HB     29 VAL  HN      3.21                
 28 VAL  QG1    29 VAL  HN      6.31                
 28 VAL  QG1    32 HIS  HD2     6.53                
 28 VAL  QG2    29 VAL  HN      6.31                
 28 VAL  QG2    32 HIS  HD2     6.53                
 28 VAL  QQG    29 VAL  HN      5.37                
 29 VAL  HN     29 VAL  HB      3.05                
 29 VAL  HN     30 THR  HN      3.36                
 29 VAL  HA     29 VAL  HB      3.02                
 29 VAL  HA     30 THR  HN      3.48                
 29 VAL  HA     32 HIS  HN      4.88                
 29 VAL  HA     32 HIS  HB2     5.19                
 29 VAL  HA     32 HIS  HB3     5.19                
 29 VAL  HA     32 HIS  QB      4.74                
 29 VAL  HB     30 THR  HN      3.39                
 29 VAL  QG1    30 THR  HN      5.85                
 29 VAL  QG1    30 THR  HA      6.53                
 29 VAL  QG2    30 THR  HN      5.85                
 29 VAL  QG2    30 THR  HA      6.53                
 29 VAL  QQG    30 THR  HN      5.51                
 30 THR  HN     30 THR  HB      3.36                
 30 THR  HN     30 THR  QG2     4.79                
 30 THR  HN     31 ARG+ HN      3.52                
 30 THR  HA     31 ARG+ HN      3.48                
 30 THR  HA     34 TYR  QD      7.64                
 30 THR  HB     31 ARG+ HN      3.73                
 30 THR  HB     34 TYR  HN      4.11                
 30 THR  QG2    31 ARG+ HN      6.53                
 30 THR  QG2    34 TYR  HN      6.53                
 30 THR  QG2    34 TYR  QB      7.40                
 30 THR  QG2    34 TYR  QD      8.67                
 30 THR  QG2    34 TYR  QE      8.66                
 31 ARG+ HN     31 ARG+ QG      5.32                
 31 ARG+ HN     31 ARG+ QD      6.38                
 31 ARG+ HN     32 HIS  HN      3.36                
 31 ARG+ HA     31 ARG+ QD      6.38                
 31 ARG+ HA     32 HIS  HN      3.33                
 31 ARG+ HA     34 TYR  QE      7.63                
 31 ARG+ QB     31 ARG+ HE      6.38                
 31 ARG+ QB     32 HIS  HD2     6.38                
 31 ARG+ QG     32 HIS  HN      6.38                
 31 ARG+ QG     32 HIS  HD2     6.38                
 32 HIS  HN     32 HIS  HB2     3.52                
 32 HIS  HN     32 HIS  HB3     3.52                
 32 HIS  HN     32 HIS  QB      3.33                
 32 HIS  HN     32 HIS  HD2     5.50                
 32 HIS  HN     33 ARG+ HN      3.61                
 32 HIS  HA     32 HIS  HD2     5.31                
 32 HIS  HB2    33 ARG+ HN      4.35                
 32 HIS  HB3    33 ARG+ HN      4.35                
 32 HIS  QB     33 ARG+ HN      4.20                
 33 ARG+ HN     33 ARG+ HG2     5.50                
 33 ARG+ HN     33 ARG+ HG3     5.50                
 33 ARG+ HN     33 ARG+ QG      5.29                
 33 ARG+ HN     33 ARG+ QD      6.38                
 33 ARG+ HA     33 ARG+ QD      6.38                
 33 ARG+ QB     33 ARG+ HE      6.38                
 33 ARG+ QB     34 TYR  HN      4.55                
 33 ARG+ QB     34 TYR  QD      8.52                
 33 ARG+ HG2    34 TYR  HN      5.50                
 33 ARG+ HG3    34 TYR  HN      5.50                
 34 TYR  HN     34 TYR  HB2     3.58                
 34 TYR  HN     34 TYR  HB3     3.58                
 34 TYR  HN     34 TYR  QB      3.30                


   Entry H atom name         Submitted Coord H atom name
   Start of MODEL    1
     1   1H    GLY   1          H         GLY   1   6.232 -18.180   1.332
     2   1HA   GLY   1          1HA       GLY   1   8.396 -17.029   1.574
     3   2HA   GLY   1          2HA       GLY   1   7.874 -17.131  -0.124
     4    HA   PRO   2           HA       PRO   2   7.897 -12.611   1.588
     5   1HB   PRO   2          1HB       PRO   2  10.501 -11.802   1.752
     6   2HB   PRO   2          2HB       PRO   2   9.632 -12.588   3.102
     7   1HG   PRO   2          1HG       PRO   2  11.501 -13.861   1.084
     8   2HG   PRO   2          2HG       PRO   2  11.505 -14.054   2.866
     9   1HD   PRO   2          1HD       PRO   2  10.317 -15.857   1.179
    10   2HD   PRO   2          2HD       PRO   2   9.641 -15.489   2.799
    11    H    SER   3           H        SER   3   6.969 -12.449  -0.417
    12    HA   SER   3           HA       SER   3   7.924 -12.710  -2.955
    13   1HB   SER   3          1HB       SER   3   6.034 -11.061  -3.477
    14   2HB   SER   3          2HB       SER   3   5.612 -12.484  -2.499
    15    HG   SER   3           HG       SER   3   4.715 -10.809  -1.399
    16    H    GLN   4           H        GLN   4   7.501  -9.465  -1.524
    17    HA   GLN   4           HA       GLN   4  10.137  -8.521  -2.293
    18   1HB   GLN   4          1HB       GLN   4   8.884  -8.457  -4.461
    19   2HB   GLN   4          2HB       GLN   4   7.646  -7.470  -3.701
    20   1HG   GLN   4          1HG       GLN   4   9.289  -5.651  -3.343
    21   2HG   GLN   4          2HG       GLN   4  10.569  -6.679  -4.005
    22   1HE2  GLN   4          2HE2      GLN   4  10.539  -7.143  -6.272
    23   2HE2  GLN   4          1HE2      GLN   4   9.587  -6.191  -7.402
    24    HA   PRO   5           HA       PRO   5   7.801  -6.647   1.230
    25   1HB   PRO   5          1HB       PRO   5   9.325  -7.323   3.354
    26   2HB   PRO   5          2HB       PRO   5   8.240  -8.498   2.582
    27   1HG   PRO   5          1HG       PRO   5  11.198  -8.121   2.107
    28   2HG   PRO   5          2HG       PRO   5  10.337  -9.648   2.435
    29   1HD   PRO   5          1HD       PRO   5  10.999  -8.740  -0.101
    30   2HD   PRO   5          2HD       PRO   5   9.566  -9.753   0.225
    31    H    THR   6           H        THR   6   8.709  -4.835  -0.327
    32    HA   THR   6           HA       THR   6  11.236  -3.593   0.365
    33    HB   THR   6           HB       THR   6   9.861  -1.622  -0.871
    34    HG1  THR   6           HG1      THR   6   7.952  -2.317  -1.417
   35   1HG2  THR   6          1HG2      THR   6  10.604  -2.575  -3.036
   36   2HG2  THR   6          2HG2      THR   6  10.876  -4.147  -2.251
   37   3HG2  THR   6          3HG2      THR   6  11.850  -2.735  -1.788
   38    H    TYR   7           H        TYR   7  11.317  -1.347   1.520
   39    HA   TYR   7           HA       TYR   7   9.038  -0.864   3.275
   40   1HB   TYR   7          1HB       TYR   7  10.652  -0.991   5.304
   41   2HB   TYR   7          2HB       TYR   7  10.002  -2.480   4.670
   42    HD1  TYR   7           HD1      TYR   7  13.059  -0.293   4.430
   43    HD2  TYR   7           HD2      TYR   7  11.440  -4.263   4.093
   44    HE1  TYR   7           HE1      TYR   7  15.321  -1.153   3.968
   45    HE2  TYR   7           HE2      TYR   7  13.714  -5.153   3.670
   46    HH   TYR   7           HH       TYR   7  16.568  -2.993   3.414
   47    HA   PRO   8           HA       PRO   8  10.694   3.198   2.909
   48   1HB   PRO   8          1HB       PRO   8   9.677   4.447   5.110
   49   2HB   PRO   8          2HB       PRO   8   8.664   3.932   3.726
   50   1HG   PRO   8          1HG       PRO   8   9.141   2.521   6.364
   51   2HG   PRO   8          2HG       PRO   8   7.577   2.816   5.527
   52   1HD   PRO   8          1HD       PRO   8   8.903   0.448   5.338
   53   2HD   PRO   8          2HD       PRO   8   8.006   1.126   3.950
   54    H    GLY   9           H        GLY   9  12.000   4.914   4.348
   55   1HA   GLY   9          1HA       GLY   9  13.785   3.498   6.274
   56   2HA   GLY   9          2HA       GLY   9  14.493   4.178   4.822
   57    HA   PRO  11           HA       PRO  11  13.106   8.315  -4.582
   58   1HB   PRO  11          1HB       PRO  11  12.238   5.695  -4.651
   59   2HB   PRO  11          2HB       PRO  11  13.921   6.208  -4.986
   60   1HG   PRO  11          1HG       PRO  11  12.766   5.161  -2.381
   61   2HG   PRO  11          2HG       PRO  11  14.287   4.675  -3.178
   62   1HD   PRO  11          1HD       PRO  11  14.212   6.492  -1.145
   63   2HD   PRO  11          2HD       PRO  11  15.378   6.672  -2.484
   64    H    VAL  12           H        VAL  12  11.185   9.321  -4.786
   65    HA   VAL  12           HA       VAL  12   9.165   9.371  -2.797
   66    HB   VAL  12           HB       VAL  12   8.956  10.071  -5.764
   67   1HG1  VAL  12          1HG1      VAL  12   7.252  11.716  -5.001
   68   2HG1  VAL  12          2HG1      VAL  12   6.761  10.056  -4.679
   69   3HG1  VAL  12          3HG1      VAL  12   7.368  11.067  -3.350
   70   1HG2  VAL  12          1HG2      VAL  12  10.867  11.289  -4.840
   71   2HG2  VAL  12          2HG2      VAL  12   9.519  12.396  -5.050
   72   3HG2  VAL  12          3HG2      VAL  12   9.913  11.789  -3.430
   73    H    GLU  13           H        GLU  13   9.597   7.401  -5.700
   74    HA   GLU  13           HA       GLU  13   7.152   6.133  -5.994
   75   1HB   GLU  13          1HB       GLU  13  10.047   5.228  -6.322
   76   2HB   GLU  13          2HB       GLU  13   8.720   4.170  -6.785
   77   1HG   GLU  13          1HG       GLU  13   9.038   7.003  -7.892
   78   2HG   GLU  13          2HG       GLU  13   9.789   5.584  -8.621
   79    H    ASP  14           H        ASP  14   9.706   5.361  -3.639
   80    HA   ASP  14           HA       ASP  14   8.509   2.882  -2.700
   81   1HB   ASP  14          1HB       ASP  14  10.894   3.297  -2.479
   82   2HB   ASP  14          2HB       ASP  14  10.597   4.754  -1.544
   83    H    LEU  15           H        LEU  15   8.472   6.247  -1.688
   84    HA   LEU  15           HA       LEU  15   7.048   5.944   0.773
   85   1HB   LEU  15          1HB       LEU  15   8.162   8.100  -0.832
   86   2HB   LEU  15          2HB       LEU  15   6.492   8.509  -0.509
   87    HG   LEU  15           HG       LEU  15   8.006   9.461   1.134
   88   1HD1  LEU  15          1HD1      LEU  15   6.845   8.879   3.151
   89   2HD1  LEU  15          2HD1      LEU  15   6.406   7.285   2.517
   90   3HD1  LEU  15          3HD1      LEU  15   5.675   8.749   1.827
   91   1HD2  LEU  15          1HD2      LEU  15   9.709   7.626   1.003
   92   2HD2  LEU  15          2HD2      LEU  15   8.672   6.623   2.031
   93   3HD2  LEU  15          3HD2      LEU  15   9.332   8.155   2.644
   94    H    ILE  16           H        ILE  16   6.033   6.774  -2.532
   95    HA   ILE  16           HA       ILE  16   3.244   6.962  -1.990
   96    HB   ILE  16           HB       ILE  16   4.780   6.365  -4.549
   97   1HG1  ILE  16          1HG1      ILE  16   5.212   8.613  -3.573
   98   2HG1  ILE  16          2HG1      ILE  16   4.430   8.676  -5.140
   99   1HG2  ILE  16          1HG2      ILE  16   1.815   6.932  -4.155
  100   2HG2  ILE  16          2HG2      ILE  16   2.659   7.051  -5.726
  101   3HG2  ILE  16          3HG2      ILE  16   2.565   5.509  -4.885
  102   1HD1  ILE  16          1HD1      ILE  16   3.552  10.362  -3.588
  103   2HD1  ILE  16          2HD1      ILE  16   2.277   9.224  -4.047
  104   3HD1  ILE  16          3HD1      ILE  16   3.052   9.105  -2.447
  105    H    ARG  17           H        ARG  17   5.245   4.141  -3.164
  106    HA   ARG  17           HA       ARG  17   3.069   2.356  -3.295
  107   1HB   ARG  17          1HB       ARG  17   6.036   1.976  -2.713
  108   2HB   ARG  17          2HB       ARG  17   4.934   0.600  -2.640
  109   1HG   ARG  17          1HG       ARG  17   4.333   0.773  -4.929
  110   2HG   ARG  17          2HG       ARG  17   5.101   2.361  -5.099
  111   1HD   ARG  17          1HD       ARG  17   6.453   0.611  -6.113
  112   2HD   ARG  17          2HD       ARG  17   7.312   1.385  -4.775
  113    HE   ARG  17           HE       ARG  17   6.446  -0.660  -3.400
  114   1HH1  ARG  17          1HH1      ARG  17   7.887  -0.732  -6.617
  115   2HH1  ARG  17          2HH1      ARG  17   8.226  -2.425  -6.574
  116   1HH2  ARG  17          1HH2      ARG  17   7.090  -2.827  -3.265
  117   2HH2  ARG  17          2HH2      ARG  17   7.750  -3.651  -4.638
  118    H    PHE  18           H        PHE  18   5.065   3.183  -0.446
  119    HA   PHE  18           HA       PHE  18   3.792   1.248   1.248
  120   1HB   PHE  18          1HB       PHE  18   6.014   2.401   1.643
  121   2HB   PHE  18          2HB       PHE  18   5.134   3.856   2.075
  122    HD1  PHE  18           HD1      PHE  18   3.956   3.985   4.276
  123    HD2  PHE  18           HD2      PHE  18   5.842   0.338   2.978
  124    HE1  PHE  18           HE1      PHE  18   3.666   3.029   6.533
  125    HE2  PHE  18           HE2      PHE  18   5.566  -0.614   5.236
  126    HZ   PHE  18           HZ       PHE  18   4.454   0.723   7.032
  127    H    TYR  19           H        TYR  19   2.871   4.521   0.201
  128    HA   TYR  19           HA       TYR  19   0.849   4.766   2.310
  129   1HB   TYR  19          1HB       TYR  19   2.111   6.643   0.794
  130   2HB   TYR  19          2HB       TYR  19   0.631   6.480  -0.143
  131    HD1  TYR  19           HD1      TYR  19  -1.574   6.206   1.619
  132    HD2  TYR  19           HD2      TYR  19   2.074   8.419   2.333
  133    HE1  TYR  19           HE1      TYR  19  -2.618   7.285   3.531
  134    HE2  TYR  19           HE2      TYR  19   0.998   9.575   4.204
  135    HH   TYR  19           HH       TYR  19  -2.284   8.619   5.391
  136    H    ASN  20           H        ASN  20   0.918   4.091  -1.155
  137    HA   ASN  20           HA       ASN  20  -1.775   3.810  -1.771
  138   1HB   ASN  20          1HB       ASN  20   0.150   3.868  -3.335
  139   2HB   ASN  20          2HB       ASN  20   0.637   2.263  -2.828
  140   1HD2  ASN  20          2HD2      ASN  20  -0.511   0.450  -3.625
  141   2HD2  ASN  20          1HD2      ASN  20  -1.605   0.594  -4.991
  142    H    ASP  21           H        ASP  21   0.352   1.466  -0.108
  143    HA   ASP  21           HA       ASP  21  -1.321  -0.793  -0.364
  144   1HB   ASP  21          1HB       ASP  21   1.038  -0.844   0.478
  145   2HB   ASP  21          2HB       ASP  21   0.488  -0.114   1.994
  146    H    LEU  22           H        LEU  22  -1.352   1.780   2.046
  147    HA   LEU  22           HA       LEU  22  -3.320   0.714   3.793
  148   1HB   LEU  22          1HB       LEU  22  -2.686   3.622   3.142
  149   2HB   LEU  22          2HB       LEU  22  -3.594   3.083   4.533
  150    HG   LEU  22           HG       LEU  22  -0.699   2.262   4.043
  151   1HD1  LEU  22          1HD1      LEU  22  -1.774   4.558   5.728
  152   2HD1  LEU  22          2HD1      LEU  22  -0.844   4.707   4.222
  153   3HD1  LEU  22          3HD1      LEU  22  -0.084   4.009   5.660
  154   1HD2  LEU  22          1HD2      LEU  22  -0.734   1.781   6.475
  155   2HD2  LEU  22          2HD2      LEU  22  -1.902   0.784   5.601
  156   3HD2  LEU  22          3HD2      LEU  22  -2.461   2.189   6.540
  157    H    GLN  23           H        GLN  23  -3.508   2.401   0.731
  158    HA   GLN  23           HA       GLN  23  -6.380   3.002   0.954
  159   1HB   GLN  23          1HB       GLN  23  -4.610   3.192  -1.534
  160   2HB   GLN  23          2HB       GLN  23  -6.194   3.914  -1.268
  161   1HG   GLN  23          1HG       GLN  23  -5.078   5.175   0.706
  162   2HG   GLN  23          2HG       GLN  23  -3.540   4.666   0.007
  163   1HE2  GLN  23          2HE2      GLN  23  -6.663   6.342  -0.937
  164   2HE2  GLN  23          1HE2      GLN  23  -5.855   7.516  -1.921
  165    H    GLN  24           H        GLN  24  -4.219   0.743  -0.823
  166    HA   GLN  24           HA       GLN  24  -6.186  -0.521  -2.324
  167   1HB   GLN  24          1HB       GLN  24  -3.651  -0.743  -2.541
  168   2HB   GLN  24          2HB       GLN  24  -3.731  -1.873  -1.180
  169   1HG   GLN  24          1HG       GLN  24  -5.426  -3.216  -2.559
  170   2HG   GLN  24          2HG       GLN  24  -5.070  -2.138  -3.906
  171   1HE2  GLN  24          2HE2      GLN  24  -3.884  -3.369  -5.329
  172   2HE2  GLN  24          1HE2      GLN  24  -2.649  -4.550  -4.883
  173    H    TYR  25           H        TYR  25  -5.082  -1.260   0.947
  174    HA   TYR  25           HA       TYR  25  -6.693  -3.594   1.319
  175   1HB   TYR  25          1HB       TYR  25  -4.894  -2.184   2.915
  176   2HB   TYR  25          2HB       TYR  25  -6.400  -1.934   3.765
  177    HD1  TYR  25           HD1      TYR  25  -7.661  -4.741   3.098
  178    HD2  TYR  25           HD2      TYR  25  -3.769  -3.545   4.528
  179    HE1  TYR  25           HE1      TYR  25  -7.332  -6.976   4.035
  180    HE2  TYR  25           HE2      TYR  25  -3.449  -5.782   5.512
  181    HH   TYR  25           HH       TYR  25  -5.782  -8.458   4.882
  182    H    LEU  26           H        LEU  26  -7.631  -0.194   1.314
  183    HA   LEU  26           HA       LEU  26 -10.322  -0.899   2.290
  184   1HB   LEU  26          1HB       LEU  26  -9.059   1.783   1.628
  185   2HB   LEU  26          2HB       LEU  26 -10.694   1.572   2.235
  186    HG   LEU  26           HG       LEU  26  -8.176   0.730   3.733
  187   1HD1  LEU  26          1HD1      LEU  26  -8.661   2.661   5.202
  188   2HD1  LEU  26          2HD1      LEU  26  -9.993   3.139   4.114
  189   3HD1  LEU  26          3HD1      LEU  26  -8.303   3.154   3.547
  190   1HD2  LEU  26          1HD2      LEU  26 -11.122   0.726   4.536
  191   2HD2  LEU  26          2HD2      LEU  26  -9.765   0.578   5.696
  192   3HD2  LEU  26          3HD2      LEU  26 -10.011  -0.646   4.469
  193    H    ASN  27           H        ASN  27  -8.712  -0.620  -0.610
  194    HA   ASN  27           HA       ASN  27 -11.202  -0.149  -2.127
  195   1HB   ASN  27          1HB       ASN  27  -8.370   0.496  -2.567
  196   2HB   ASN  27          2HB       ASN  27  -9.015  -0.363  -3.935
  197   1HD2  ASN  27          2HD2      ASN  27  -8.339   2.607  -3.314
  198   2HD2  ASN  27          1HD2      ASN  27  -9.816   3.481  -3.684
  199    H    VAL  28           H        VAL  28  -9.429  -2.784  -1.166
  200    HA   VAL  28           HA       VAL  28 -10.691  -4.393  -3.314
  201    HB   VAL  28           HB       VAL  28  -8.130  -4.904  -1.738
  202   1HG1  VAL  28          1HG1      VAL  28  -7.772  -6.827  -3.297
  203   2HG1  VAL  28          2HG1      VAL  28  -9.165  -7.072  -2.251
  204   3HG1  VAL  28          3HG1      VAL  28  -9.411  -6.587  -3.943
  205   1HG2  VAL  28          1HG2      VAL  28  -7.822  -3.185  -3.490
  206   2HG2  VAL  28          2HG2      VAL  28  -7.032  -4.681  -3.984
  207   3HG2  VAL  28          3HG2      VAL  28  -8.612  -4.247  -4.682
  208    H    VAL  29           H        VAL  29 -10.639  -3.750   0.014
  209    HA   VAL  29           HA       VAL  29 -12.193  -6.240   0.502
  210    HB   VAL  29           HB       VAL  29 -10.905  -4.330   2.451
  211   1HG1  VAL  29          1HG1      VAL  29 -11.286  -6.239   4.063
  212   2HG1  VAL  29          2HG1      VAL  29 -12.773  -5.440   3.535
  213   3HG1  VAL  29          3HG1      VAL  29 -12.299  -6.995   2.829
  214   1HG2  VAL  29          1HG2      VAL  29  -9.153  -5.465   1.253
  215   2HG2  VAL  29          2HG2      VAL  29  -9.350  -6.338   2.777
  216   3HG2  VAL  29          3HG2      VAL  29 -10.044  -6.995   1.278
  217    H    THR  30           H        THR  30 -12.422  -2.798   1.411
  218    HA   THR  30           HA       THR  30 -15.186  -3.187   2.012
  219    HB   THR  30           HB       THR  30 -14.947  -0.467   1.676
  220    HG1  THR  30           HG1      THR  30 -12.681  -0.516   1.462
  221   1HG2  THR  30          1HG2      THR  30 -15.937  -1.724   3.614
  222   2HG2  THR  30          2HG2      THR  30 -14.828  -0.464   4.161
  223   3HG2  THR  30          3HG2      THR  30 -14.300  -2.154   4.144
  224    H    ARG  31           H        ARG  31 -13.584  -2.336  -1.026
  225    HA   ARG  31           HA       ARG  31 -15.965  -1.504  -2.287
  226   1HB   ARG  31          1HB       ARG  31 -13.601  -1.143  -3.069
  227   2HB   ARG  31          2HB       ARG  31 -13.588  -2.813  -3.647
  228   1HG   ARG  31          1HG       ARG  31 -15.459  -2.293  -5.194
  229   2HG   ARG  31          2HG       ARG  31 -15.519  -0.639  -4.547
  230   1HD   ARG  31          1HD       ARG  31 -13.130  -0.337  -5.293
  231   2HD   ARG  31          2HD       ARG  31 -13.236  -1.943  -6.054
  232    HE   ARG  31           HE       ARG  31 -15.430  -0.313  -6.869
  233   1HH1  ARG  31          1HH1      ARG  31 -11.939  -0.781  -7.501
  234   2HH1  ARG  31          2HH1      ARG  31 -12.026  -0.135  -9.112
  235   1HH2  ARG  31          1HH2      ARG  31 -15.445   0.760  -8.888
  236   2HH2  ARG  31          2HH2      ARG  31 -14.026   0.771  -9.905
  237    H    HIS  32           H        HIS  32 -15.180  -4.630  -1.219
  238    HA   HIS  32           HA       HIS  32 -17.328  -5.826  -2.904
  239   1HB   HIS  32          1HB       HIS  32 -14.725  -6.692  -2.744
  240   2HB   HIS  32          2HB       HIS  32 -15.456  -7.640  -1.488
  241    HD1  HIS  32           HD1      HIS  32 -18.272  -8.365  -2.969
  242    HD2  HIS  32           HD2      HIS  32 -14.408  -8.336  -4.681
  243    HE1  HIS  32           HE1      HIS  32 -18.386  -9.817  -5.037
  244    H    ARG  33           H        ARG  33 -16.779  -4.654   0.196
  245    HA   ARG  33           HA       ARG  33 -18.802  -6.552   1.316
  246   1HB   ARG  33          1HB       ARG  33 -16.396  -6.753   2.115
  247   2HB   ARG  33          2HB       ARG  33 -16.638  -5.204   2.941
  248   1HG   ARG  33          1HG       ARG  33 -18.461  -6.168   4.266
  249   2HG   ARG  33          2HG       ARG  33 -18.418  -7.661   3.307
  250   1HD   ARG  33          1HD       ARG  33 -16.214  -8.224   4.111
  251   2HD   ARG  33          2HD       ARG  33 -16.051  -6.662   4.924
  252    HE   ARG  33           HE       ARG  33 -17.894  -8.899   5.667
  253   1HH1  ARG  33          1HH1      ARG  33 -15.668  -6.441   6.811
  254   2HH1  ARG  33          2HH1      ARG  33 -16.323  -6.379   8.405
  255   1HH2  ARG  33          1HH2      ARG  33 -18.780  -8.846   7.742
  256   2HH2  ARG  33          2HH2      ARG  33 -18.050  -7.923   9.008
  257    H    TYR  34           H        TYR  34 -17.986  -3.179   0.808
  258    HA   TYR  34           HA       TYR  34 -20.082  -2.219   2.611
  259   1HB   TYR  34          1HB       TYR  34 -17.669  -1.234   2.252
  260   2HB   TYR  34          2HB       TYR  34 -18.341  -0.545   0.781
  261    HD1  TYR  34           HD1      TYR  34 -19.979   1.306   0.926
  262    HD2  TYR  34           HD2      TYR  34 -18.458  -0.587   4.496
  263    HE1  TYR  34           HE1      TYR  34 -20.978   3.104   2.294
  264    HE2  TYR  34           HE2      TYR  34 -19.469   1.206   5.870
  265    HH   TYR  34           HH       TYR  34 -21.216   3.971   4.456
  266   1HN   NH2  35          1H        NH2  35 -20.130  -3.641  -0.391
  267   2HN   NH2  35          2H        NH2  35 -21.445  -2.717  -1.076
  268   2HN   ZAB  10          H         AZO  10  12.211   6.478   5.454
  269   2HA   ZAB  10          2HA       AZO  10  12.130   8.345   6.844
  270   3HA   ZAB  10          3HA       AZO  10  13.561   7.760   7.718
  271    HG2  ZAB  10           HG2      AZO  10  15.857   7.830   6.360
  272    HD2  ZAB  10           HD2      AZO  10  17.242   9.259   4.906
  273    HE   ZAB  10           HE       AZO  10  16.217  11.135   3.659
  274    HG1  ZAB  10           HG1      AZO  10  12.365  10.147   5.337
  275    HJ2  ZAB  10           HJ2      AZO  10  15.283  14.048   1.426
  276    HK2  ZAB  10           HK2      AZO  10  16.359  13.521  -0.755
  277    HL   ZAB  10           HL       AZO  10  16.063  11.286  -1.780
  278    HJ1  ZAB  10           HJ1      AZO  10  13.702  10.053   1.601
  279   2HM   ZAB  10          2HM       AZO  10  15.694   8.808  -1.065
  280   3HM   ZAB  10          3HM       AZO  10  14.312   8.479  -0.012
  Start of MODEL    2
    1   1H    GLY   1          H         GLY   1  18.206 -10.970   0.384
    2   1HA   GLY   1          1HA       GLY   1  16.890 -11.071  -1.636
    3   2HA   GLY   1          2HA       GLY   1  18.237  -9.944  -1.870
    4    HA   PRO   2           HA       PRO   2  18.503 -13.842  -4.755
    5   1HB   PRO   2          1HB       PRO   2  17.148 -12.980  -7.013
    6   2HB   PRO   2          2HB       PRO   2  16.414 -13.973  -5.731
    7   1HG   PRO   2          1HG       PRO   2  16.235 -10.981  -6.142
    8   2HG   PRO   2          2HG       PRO   2  14.941 -12.120  -5.671
    9   1HD   PRO   2          1HD       PRO   2  16.231 -10.559  -3.853
   10   2HD   PRO   2          2HD       PRO   2  15.656 -12.206  -3.445
   11    H    SER   3           H        SER   3  18.327 -10.375  -5.422
   12    HA   SER   3           HA       SER   3  21.027 -10.196  -6.447
   13   1HB   SER   3          1HB       SER   3  20.205  -8.947  -8.432
   14   2HB   SER   3          2HB       SER   3  19.628 -10.609  -8.454
   15    HG   SER   3           HG       SER   3  18.120  -8.914  -8.964
   16    H    GLN   4           H        GLN   4  20.786  -7.492  -7.095
   17    HA   GLN   4           HA       GLN   4  21.384  -5.672  -5.812
   18   1HB   GLN   4          1HB       GLN   4  19.670  -5.196  -7.392
   19   2HB   GLN   4          2HB       GLN   4  18.413  -5.674  -6.272
   20   1HG   GLN   4          1HG       GLN   4  18.775  -3.166  -6.597
   21   2HG   GLN   4          2HG       GLN   4  18.701  -3.733  -4.924
   22   1HE2  GLN   4          2HE2      GLN   4  20.404  -3.163  -3.588
   23   2HE2  GLN   4          1HE2      GLN   4  22.014  -2.698  -4.123
   24    HA   PRO   5           HA       PRO   5  20.424  -6.737  -1.449
   25   1HB   PRO   5          1HB       PRO   5  22.883  -6.328  -0.361
   26   2HB   PRO   5          2HB       PRO   5  22.500  -7.791  -1.308
   27   1HG   PRO   5          1HG       PRO   5  23.960  -5.321  -2.246
   28   2HG   PRO   5          2HG       PRO   5  24.373  -7.040  -2.531
   29   1HD   PRO   5          1HD       PRO   5  22.989  -5.439  -4.324
   30   2HD   PRO   5          2HD       PRO   5  22.815  -7.216  -4.253
   31    H    THR   6           H        THR   6  19.049  -4.753  -1.859
   32    HA   THR   6           HA       THR   6  20.191  -2.124  -1.619
   33    HB   THR   6           HB       THR   6  17.425  -2.077  -0.974
   34    HG1  THR   6           HG1      THR   6  16.677  -3.769  -1.890
   35   1HG2  THR   6          1HG2      THR   6  18.783  -1.577  -3.642
   36   2HG2  THR   6          2HG2      THR   6  18.709  -0.422  -2.300
   37   3HG2  THR   6          3HG2      THR   6  17.215  -0.937  -3.099
   38    H    TYR   7           H        TYR   7  21.007  -1.380   0.169
   39    HA   TYR   7           HA       TYR   7  20.536  -2.697   2.728
   40   1HB   TYR   7          1HB       TYR   7  22.264  -0.458   1.727
   41   2HB   TYR   7          2HB       TYR   7  21.792  -0.390   3.409
   42    HD1  TYR   7           HD1      TYR   7  22.941  -3.096   1.030
   43    HD2  TYR   7           HD2      TYR   7  23.320  -1.276   4.910
   44    HE1  TYR   7           HE1      TYR   7  24.694  -4.754   1.618
   45    HE2  TYR   7           HE2      TYR   7  25.008  -2.942   5.546
   46    HH   TYR   7           HH       TYR   7  25.714  -5.292   4.850
   47    HA   PRO   8           HA       PRO   8  17.000  -0.384   3.907
   48   1HB   PRO   8          1HB       PRO   8  17.143  -0.334   6.628
   49   2HB   PRO   8          2HB       PRO   8  16.992  -1.872   5.732
   50   1HG   PRO   8          1HG       PRO   8  19.567  -0.580   6.710
   51   2HG   PRO   8          2HG       PRO   8  18.977  -2.235   7.047
   52   1HD   PRO   8          1HD       PRO   8  20.686  -1.791   5.018
   53   2HD   PRO   8          2HD       PRO   8  19.315  -2.924   4.801
   54    H    GLY   9           H        GLY   9  16.370   1.573   5.439
   55   1HA   GLY   9          1HA       GLY   9  16.794   3.703   6.269
   56   2HA   GLY   9          2HA       GLY   9  18.494   3.569   5.799
   57    HA   PRO  11           HA       PRO  11  13.557   6.160  -4.108
   58   1HB   PRO  11          1HB       PRO  11  12.375   4.523  -2.299
   59   2HB   PRO  11          2HB       PRO  11  14.129   4.475  -2.643
   60   1HG   PRO  11          1HG       PRO  11  12.756   5.923  -0.357
   61   2HG   PRO  11          2HG       PRO  11  14.153   4.809  -0.267
   62   1HD   PRO  11          1HD       PRO  11  14.469   7.489  -0.350
   63   2HD   PRO  11          2HD       PRO  11  15.613   6.399  -1.190
   64    H    VAL  12           H        VAL  12  12.119   7.607  -5.033
   65    HA   VAL  12           HA       VAL  12   9.940   8.882  -3.593
   66    HB   VAL  12           HB       VAL  12  10.406   8.468  -6.576
   67   1HG1  VAL  12          1HG1      VAL  12   8.071   9.140  -6.096
   68   2HG1  VAL  12          2HG1      VAL  12   8.673  10.519  -5.158
   69   3HG1  VAL  12          3HG1      VAL  12   8.966  10.436  -6.905
   70   1HG2  VAL  12          1HG2      VAL  12  11.198  10.806  -4.786
   71   2HG2  VAL  12          2HG2      VAL  12  12.311   9.690  -5.604
   72   3HG2  VAL  12          3HG2      VAL  12  11.319  10.780  -6.561
   73    H    GLU  13           H        GLU  13  10.186   6.071  -5.839
   74    HA   GLU  13           HA       GLU  13   7.438   5.443  -5.917
   75   1HB   GLU  13          1HB       GLU  13   9.894   3.639  -6.171
   76   2HB   GLU  13          2HB       GLU  13   8.249   3.121  -6.501
   77   1HG   GLU  13          1HG       GLU  13   9.258   3.657  -8.587
   78   2HG   GLU  13          2HG       GLU  13   8.019   4.863  -8.251
   79    H    ASP  14           H        ASP  14   9.925   4.429  -3.546
   80    HA   ASP  14           HA       ASP  14   8.281   2.502  -2.276
   81   1HB   ASP  14          1HB       ASP  14  10.789   2.738  -2.088
   82   2HB   ASP  14          2HB       ASP  14  10.517   4.077  -0.957
   83    H    LEU  15           H        LEU  15   8.802   5.916  -1.575
   84    HA   LEU  15           HA       LEU  15   7.324   6.104   0.821
   85   1HB   LEU  15          1HB       LEU  15   8.815   7.861   0.129
   86   2HB   LEU  15          2HB       LEU  15   7.962   8.073  -1.408
   87    HG   LEU  15           HG       LEU  15   5.984   8.916  -0.229
   88   1HD1  LEU  15          1HD1      LEU  15   6.304   7.800   1.984
   89   2HD1  LEU  15          2HD1      LEU  15   6.190   9.557   2.196
   90   3HD1  LEU  15          3HD1      LEU  15   7.770   8.738   2.242
   91   1HD2  LEU  15          1HD2      LEU  15   7.674  10.492  -1.069
   92   2HD2  LEU  15          2HD2      LEU  15   8.526  10.419   0.501
   93   3HD2  LEU  15          3HD2      LEU  15   6.893  11.097   0.393
   94    H    ILE  16           H        ILE  16   6.334   6.465  -2.573
   95    HA   ILE  16           HA       ILE  16   3.565   7.062  -1.974
   96    HB   ILE  16           HB       ILE  16   4.963   6.115  -4.502
   97   1HG1  ILE  16          1HG1      ILE  16   5.765   8.314  -3.835
   98   2HG1  ILE  16          2HG1      ILE  16   4.759   8.449  -5.257
   99   1HG2  ILE  16          1HG2      ILE  16   2.917   6.990  -5.699
  100   2HG2  ILE  16          2HG2      ILE  16   2.660   5.507  -4.768
  101   3HG2  ILE  16          3HG2      ILE  16   2.105   7.057  -4.122
  102   1HD1  ILE  16          1HD1      ILE  16   3.992   9.215  -2.415
  103   2HD1  ILE  16          2HD1      ILE  16   4.280  10.285  -3.793
  104   3HD1  ILE  16          3HD1      ILE  16   2.867   9.234  -3.797
  105    H    ARG  17           H        ARG  17   5.346   4.047  -2.842
  106    HA   ARG  17           HA       ARG  17   3.116   2.361  -2.977
  107   1HB   ARG  17          1HB       ARG  17   5.413   1.727  -3.660
  108   2HB   ARG  17          2HB       ARG  17   5.958   1.683  -1.993
  109   1HG   ARG  17          1HG       ARG  17   3.600   0.004  -2.811
  110   2HG   ARG  17          2HG       ARG  17   5.188  -0.519  -3.308
  111   1HD   ARG  17          1HD       ARG  17   4.758   0.100  -0.394
  112   2HD   ARG  17          2HD       ARG  17   4.050  -1.358  -1.058
  113    HE   ARG  17           HE       ARG  17   6.863  -0.794  -0.568
  114   1HH1  ARG  17          1HH1      ARG  17   4.626  -2.950  -2.408
  115   2HH1  ARG  17          2HH1      ARG  17   5.654  -4.329  -2.104
  116   1HH2  ARG  17          1HH2      ARG  17   8.155  -2.565  -0.396
  117   2HH2  ARG  17          2HH2      ARG  17   7.594  -4.130  -0.982
  118    H    PHE  18           H        PHE  18   5.129   3.131  -0.090
  119    HA   PHE  18           HA       PHE  18   3.753   1.436   1.687
  120   1HB   PHE  18          1HB       PHE  18   5.943   2.467   2.140
  121   2HB   PHE  18          2HB       PHE  18   5.184   4.051   2.260
  122    HD1  PHE  18           HD1      PHE  18   4.482   4.822   4.394
  123    HD2  PHE  18           HD2      PHE  18   4.996   0.589   3.755
  124    HE1  PHE  18           HE1      PHE  18   3.924   4.395   6.767
  125    HE2  PHE  18           HE2      PHE  18   4.412   0.153   6.123
  126    HZ   PHE  18           HZ       PHE  18   3.891   2.062   7.649
  127    H    TYR  19           H        TYR  19   2.779   4.583   0.423
  128    HA   TYR  19           HA       TYR  19   0.722   4.972   2.480
  129   1HB   TYR  19          1HB       TYR  19   2.032   6.800   1.231
  130   2HB   TYR  19          2HB       TYR  19   1.056   6.433  -0.164
  131    HD1  TYR  19           HD1      TYR  19  -1.203   7.305  -0.349
  132    HD2  TYR  19           HD2      TYR  19   0.952   7.568   3.392
  133    HE1  TYR  19           HE1      TYR  19  -2.936   8.797   0.555
  134    HE2  TYR  19           HE2      TYR  19  -0.808   9.033   4.304
  135    HH   TYR  19           HH       TYR  19  -2.860  10.048   3.919
  136    H    ASN  20           H        ASN  20   0.843   4.377  -1.014
  137    HA   ASN  20           HA       ASN  20  -1.876   4.039  -1.542
  138   1HB   ASN  20          1HB       ASN  20  -0.085   4.344  -3.233
  139   2HB   ASN  20          2HB       ASN  20   0.513   2.732  -2.899
  140   1HD2  ASN  20          2HD2      ASN  20  -0.282   1.116  -4.211
  141   2HD2  ASN  20          1HD2      ASN  20  -1.748   1.258  -5.203
  142    H    ASP  21           H        ASP  21   0.386   1.601  -0.255
  143    HA   ASP  21           HA       ASP  21  -1.179  -0.694  -0.863
  144   1HB   ASP  21          1HB       ASP  21   1.164  -0.761  -0.061
  145   2HB   ASP  21          2HB       ASP  21   0.630  -0.301   1.530
  146    H    LEU  22           H        LEU  22  -1.462   1.557   1.916
  147    HA   LEU  22           HA       LEU  22  -3.420   0.031   3.348
  148   1HB   LEU  22          1HB       LEU  22  -2.924   3.061   3.284
  149   2HB   LEU  22          2HB       LEU  22  -4.110   2.258   4.328
  150    HG   LEU  22           HG       LEU  22  -2.077   0.820   5.137
  151   1HD1  LEU  22          1HD1      LEU  22  -0.665   3.375   4.256
  152   2HD1  LEU  22          2HD1      LEU  22  -0.460   1.822   3.457
  153   3HD1  LEU  22          3HD1      LEU  22   0.055   1.992   5.126
  154   1HD2  LEU  22          1HD2      LEU  22  -2.425   3.713   5.990
  155   2HD2  LEU  22          2HD2      LEU  22  -1.609   2.438   6.925
  156   3HD2  LEU  22          3HD2      LEU  22  -3.338   2.306   6.592
  157    H    GLN  23           H        GLN  23  -3.592   2.559   0.905
  158    HA   GLN  23           HA       GLN  23  -6.447   2.806   0.864
  159   1HB   GLN  23          1HB       GLN  23  -4.452   3.461  -1.361
  160   2HB   GLN  23          2HB       GLN  23  -6.102   4.083  -1.198
  161   1HG   GLN  23          1HG       GLN  23  -5.444   5.204   0.936
  162   2HG   GLN  23          2HG       GLN  23  -3.791   4.638   0.733
  163   1HE2  GLN  23          2HE2      GLN  23  -5.388   7.413   0.527
  164   2HE2  GLN  23          1HE2      GLN  23  -4.618   8.133  -0.853
  165    H    GLN  24           H        GLN  24  -4.107   0.768  -0.904
  166    HA   GLN  24           HA       GLN  24  -5.911  -0.329  -2.762
  167   1HB   GLN  24          1HB       GLN  24  -3.338  -0.430  -2.764
  168   2HB   GLN  24          2HB       GLN  24  -3.501  -1.752  -1.593
  169   1HG   GLN  24          1HG       GLN  24  -4.961  -2.932  -3.331
  170   2HG   GLN  24          2HG       GLN  24  -4.485  -1.674  -4.472
  171   1HE2  GLN  24          2HE2      GLN  24  -3.962  -4.652  -4.497
  172   2HE2  GLN  24          1HE2      GLN  24  -2.227  -4.754  -4.645
  173    H    TYR  25           H        TYR  25  -5.056  -1.279   0.522
  174    HA   TYR  25           HA       TYR  25  -6.574  -3.746   0.680
  175   1HB   TYR  25          1HB       TYR  25  -4.755  -2.983   2.259
  176   2HB   TYR  25          2HB       TYR  25  -5.862  -1.776   2.893
  177    HD1  TYR  25           HD1      TYR  25  -7.111  -2.330   4.816
  178    HD2  TYR  25           HD2      TYR  25  -5.686  -5.479   2.237
  179    HE1  TYR  25           HE1      TYR  25  -7.903  -4.001   6.432
  180    HE2  TYR  25           HE2      TYR  25  -6.524  -7.174   3.859
  181    HH   TYR  25           HH       TYR  25  -8.263  -6.203   6.822
  182    H    LEU  26           H        LEU  26  -7.409  -0.389   1.720
  183    HA   LEU  26           HA       LEU  26 -10.128  -1.026   2.151
  184   1HB   LEU  26          1HB       LEU  26  -8.790   1.578   1.324
  185   2HB   LEU  26          2HB       LEU  26 -10.475   1.509   1.786
  186    HG   LEU  26           HG       LEU  26  -8.285   0.573   3.651
  187   1HD1  LEU  26          1HD1      LEU  26  -8.384   2.778   4.742
  188   2HD1  LEU  26          2HD1      LEU  26  -9.449   3.374   3.460
  189   3HD1  LEU  26          3HD1      LEU  26  -7.762   2.892   3.092
  190   1HD2  LEU  26          1HD2      LEU  26  -9.970   0.963   5.388
  191   2HD2  LEU  26          2HD2      LEU  26 -10.652  -0.102   4.143
  192   3HD2  LEU  26          3HD2      LEU  26 -11.103   1.614   4.184
  193    H    ASN  27           H        ASN  27  -8.524  -0.618  -0.740
  194    HA   ASN  27           HA       ASN  27 -10.929  -0.161  -2.311
  195   1HB   ASN  27          1HB       ASN  27  -8.219   0.306  -2.844
  196   2HB   ASN  27          2HB       ASN  27  -8.534  -1.104  -3.835
  197   1HD2  ASN  27          2HD2      ASN  27  -9.734   2.225  -3.078
  198   2HD2  ASN  27          1HD2      ASN  27 -10.294   2.511  -4.719
  199    H    VAL  28           H        VAL  28  -9.696  -2.923  -1.088
  200    HA   VAL  28           HA       VAL  28 -11.335  -4.536  -2.987
  201    HB   VAL  28           HB       VAL  28  -8.713  -5.370  -1.687
  202   1HG1  VAL  28          1HG1      VAL  28 -10.409  -6.775  -3.804
  203   2HG1  VAL  28          2HG1      VAL  28  -8.785  -7.290  -3.281
  204   3HG1  VAL  28          3HG1      VAL  28 -10.122  -7.319  -2.131
  205   1HG2  VAL  28          1HG2      VAL  28  -8.244  -3.698  -3.474
  206   2HG2  VAL  28          2HG2      VAL  28  -7.714  -5.302  -3.942
  207   3HG2  VAL  28          3HG2      VAL  28  -9.215  -4.652  -4.613
  208    H    VAL  29           H        VAL  29 -10.672  -3.565   0.195
  209    HA   VAL  29           HA       VAL  29 -12.136  -5.880   1.329
  210    HB   VAL  29           HB       VAL  29 -10.593  -3.570   2.550
  211   1HG1  VAL  29          1HG1      VAL  29 -11.050  -4.732   4.757
  212   2HG1  VAL  29          2HG1      VAL  29 -12.515  -4.024   4.066
  213   3HG1  VAL  29          3HG1      VAL  29 -12.235  -5.766   3.941
  214   1HG2  VAL  29          1HG2      VAL  29 -10.210  -6.592   2.650
  215   2HG2  VAL  29          2HG2      VAL  29  -9.306  -5.479   1.609
  216   3HG2  VAL  29          3HG2      VAL  29  -9.167  -5.346   3.356
  217    H    THR  30           H        THR  30 -12.549  -2.359   1.662
  218    HA   THR  30           HA       THR  30 -15.316  -2.706   2.335
  219    HB   THR  30           HB       THR  30 -15.000  -0.070   1.339
  220    HG1  THR  30           HG1      THR  30 -13.169   0.638   2.140
  221   1HG2  THR  30          1HG2      THR  30 -16.337  -0.696   3.279
  222   2HG2  THR  30          2HG2      THR  30 -15.177   0.579   3.697
  223   3HG2  THR  30          3HG2      THR  30 -14.868  -1.104   4.185
  224    H    ARG  31           H        ARG  31 -13.652  -2.132  -0.724
  225    HA   ARG  31           HA       ARG  31 -15.974  -1.720  -2.281
  226   1HB   ARG  31          1HB       ARG  31 -13.398  -1.340  -2.719
  227   2HB   ARG  31          2HB       ARG  31 -13.487  -2.957  -3.426
  228   1HG   ARG  31          1HG       ARG  31 -15.181  -2.168  -5.027
  229   2HG   ARG  31          2HG       ARG  31 -15.295  -0.610  -4.172
  230   1HD   ARG  31          1HD       ARG  31 -12.898  -0.163  -4.730
  231   2HD   ARG  31          2HD       ARG  31 -12.869  -1.656  -5.691
  232    HE   ARG  31           HE       ARG  31 -15.066  -0.123  -6.539
  233   1HH1  ARG  31          1HH1      ARG  31 -11.488   0.228  -6.549
  234   2HH1  ARG  31          2HH1      ARG  31 -11.472   1.163  -7.988
  235   1HH2  ARG  31          1HH2      ARG  31 -14.992   1.243  -8.411
  236   2HH2  ARG  31          2HH2      ARG  31 -13.476   1.827  -9.001
  237    H    HIS  32           H        HIS  32 -15.336  -4.507  -0.629
  238    HA   HIS  32           HA       HIS  32 -16.763  -6.237  -2.579
  239   1HB   HIS  32          1HB       HIS  32 -14.304  -6.710  -2.133
  240   2HB   HIS  32          2HB       HIS  32 -14.751  -7.119  -0.477
  241    HD1  HIS  32           HD1      HIS  32 -17.027  -9.120  -0.747
  242    HD2  HIS  32           HD2      HIS  32 -13.984  -8.684  -3.609
  243    HE1  HIS  32           HE1      HIS  32 -16.933 -11.341  -2.004
  244    H    ARG  33           H        ARG  33 -17.167  -4.425   0.195
  245    HA   ARG  33           HA       ARG  33 -19.250  -6.289   1.263
  246   1HB   ARG  33          1HB       ARG  33 -17.342  -4.551   2.898
  247   2HB   ARG  33          2HB       ARG  33 -18.663  -5.524   3.548
  248   1HG   ARG  33          1HG       ARG  33 -16.254  -6.655   2.047
  249   2HG   ARG  33          2HG       ARG  33 -16.365  -6.548   3.785
  250   1HD   ARG  33          1HD       ARG  33 -18.609  -7.962   2.309
  251   2HD   ARG  33          2HD       ARG  33 -17.048  -8.746   2.426
  252    HE   ARG  33           HE       ARG  33 -18.930  -8.112   4.611
  253   1HH1  ARG  33          1HH1      ARG  33 -15.875  -9.648   3.598
  254   2HH1  ARG  33          2HH1      ARG  33 -15.549 -10.381   5.110
  255   1HH2  ARG  33          1HH2      ARG  33 -18.360  -8.794   6.702
  256   2HH2  ARG  33          2HH2      ARG  33 -17.071  -9.941   6.951
  257    H    TYR  34           H        TYR  34 -18.056  -2.924   1.488
  258    HA   TYR  34           HA       TYR  34 -20.722  -1.869   1.936
  259   1HB   TYR  34          1HB       TYR  34 -18.610  -1.020   2.962
  260   2HB   TYR  34          2HB       TYR  34 -18.002  -0.603   1.370
  261    HD1  TYR  34           HD1      TYR  34 -18.891   1.273   0.123
  262    HD2  TYR  34           HD2      TYR  34 -20.301   0.358   4.103
  263    HE1  TYR  34           HE1      TYR  34 -19.857   3.509   0.279
  264    HE2  TYR  34           HE2      TYR  34 -21.239   2.647   4.300
  265    HH   TYR  34           HH       TYR  34 -20.870   5.011   1.619
  266   1HN   NH2  35          1H        NH2  35 -18.260  -1.934  -0.726
  267   2HN   NH2  35          2H        NH2  35 -19.472  -1.841  -2.009
  268   2HN   ZAB  10          H         AZO  10  15.401   3.283   4.038
  269   2HA   ZAB  10          2HA       AZO  10  16.358   4.809   1.714
  270   3HA   ZAB  10          3HA       AZO  10  14.760   4.040   1.942
  271    HG2  ZAB  10           HG2      AZO  10  13.045   5.134   3.430
  272    HD2  ZAB  10           HD2      AZO  10  12.224   7.264   4.424
  273    HE   ZAB  10           HE       AZO  10  13.687   9.276   4.469
  274    HG1  ZAB  10           HG1      AZO  10  16.779   7.051   2.457
  275    HJ2  ZAB  10           HJ2      AZO  10  13.851  10.956   2.477
  276    HK2  ZAB  10           HK2      AZO  10  12.356  11.036   0.499
  277    HL   ZAB  10           HL       AZO  10  13.205  10.325  -1.721
  278    HJ1  ZAB  10           HJ1      AZO  10  17.056   9.432   0.063
  279   2HM   ZAB  10          2HM       AZO  10  15.988  10.068  -2.953
  280   3HM   ZAB  10          3HM       AZO  10  16.561   8.638  -2.105
  Start of MODEL    3
    1   1H    GLY   1          H         GLY   1 -14.517  21.637  10.019
    2   1HA   GLY   1          1HA       GLY   1 -13.287  19.045   9.268
    3   2HA   GLY   1          2HA       GLY   1 -13.292  20.466   8.204
    4    HA   PRO   2           HA       PRO   2 -10.166  21.028  11.841
    5   1HB   PRO   2          1HB       PRO   2  -8.238  19.101  11.826
    6   2HB   PRO   2          2HB       PRO   2  -9.799  18.878  12.677
    7   1HG   PRO   2          1HG       PRO   2  -9.063  17.925   9.893
    8   2HG   PRO   2          2HG       PRO   2  -9.752  16.958  11.237
    9   1HD   PRO   2          1HD       PRO   2 -11.325  18.034   9.296
   10   2HD   PRO   2          2HD       PRO   2 -11.878  17.972  10.994
   11    H    SER   3           H        SER   3  -7.920  21.813  11.579
   12    HA   SER   3           HA       SER   3  -7.391  22.807   8.926
   13   1HB   SER   3          1HB       SER   3  -5.277  23.627  10.246
   14   2HB   SER   3          2HB       SER   3  -6.864  24.326  10.571
   15    HG   SER   3           HG       SER   3  -5.782  23.834  12.468
   16    H    GLN   4           H        GLN   4  -5.403  22.443   7.784
   17    HA   GLN   4           HA       GLN   4  -4.310  19.673   8.056
   18   1HB   GLN   4          1HB       GLN   4  -4.621  21.532   5.658
   19   2HB   GLN   4          2HB       GLN   4  -3.713  20.027   5.611
   20   1HG   GLN   4          1HG       GLN   4  -5.786  18.794   6.314
   21   2HG   GLN   4          2HG       GLN   4  -6.680  20.315   6.184
   22   1HE2  GLN   4          2HE2      GLN   4  -7.112  17.818   4.644
   23   2HE2  GLN   4          1HE2      GLN   4  -6.903  18.256   2.955
   24    HA   PRO   5           HA       PRO   5  -0.395  21.590   8.919
   25   1HB   PRO   5          1HB       PRO   5   1.460  19.876   7.861
   26   2HB   PRO   5          2HB       PRO   5   0.439  19.421   9.257
   27   1HG   PRO   5          1HG       PRO   5  -0.026  18.781   6.320
   28   2HG   PRO   5          2HG       PRO   5  -0.055  17.650   7.706
   29   1HD   PRO   5          1HD       PRO   5  -2.333  18.731   6.701
   30   2HD   PRO   5          2HD       PRO   5  -2.141  18.483   8.460
   31    H    THR   6           H        THR   6   1.483  22.668   7.828
   32    HA   THR   6           HA       THR   6   1.054  23.123   4.922
   33    HB   THR   6           HB       THR   6   2.202  25.232   6.737
   34    HG1  THR   6           HG1      THR   6  -0.301  25.813   6.463
   35   1HG2  THR   6          1HG2      THR   6   2.147  25.611   4.266
   36   2HG2  THR   6          2HG2      THR   6   1.130  26.759   5.140
   37   3HG2  THR   6          3HG2      THR   6   0.384  25.389   4.293
   38    H    TYR   7           H        TYR   7   2.992  21.612   6.990
   39    HA   TYR   7           HA       TYR   7   5.656  22.345   6.040
   40   1HB   TYR   7          1HB       TYR   7   4.597  19.906   7.548
   41   2HB   TYR   7          2HB       TYR   7   6.284  20.296   7.386
   42    HD1  TYR   7           HD1      TYR   7   4.391  19.843   9.860
   43    HD2  TYR   7           HD2      TYR   7   6.162  23.347   8.047
   44    HE1  TYR   7           HE1      TYR   7   4.457  20.933  12.052
   45    HE2  TYR   7           HE2      TYR   7   6.230  24.445  10.272
   46    HH   TYR   7           HH       TYR   7   5.351  22.672  13.258
   47    HA   PRO   8           HA       PRO   8   5.766  19.554   2.563
   48   1HB   PRO   8          1HB       PRO   8   8.282  18.445   2.602
   49   2HB   PRO   8          2HB       PRO   8   7.960  20.160   2.191
   50   1HG   PRO   8          1HG       PRO   8   8.783  19.018   4.882
   51   2HG   PRO   8          2HG       PRO   8   9.519  20.391   3.995
   52   1HD   PRO   8          1HD       PRO   8   7.699  20.832   5.933
   53   2HD   PRO   8          2HD       PRO   8   7.644  21.791   4.431
   54    H    GLY   9           H        GLY   9   5.372  17.357   2.056
   55   1HA   GLY   9          1HA       GLY   9   4.996  15.516   4.340
   56   2HA   GLY   9          2HA       GLY   9   4.259  15.411   2.741
   57    HA   PRO  11           HA       PRO  11  12.736   9.964  -3.397
   58   1HB   PRO  11          1HB       PRO  11  11.766   7.626  -2.528
   59   2HB   PRO  11          2HB       PRO  11  13.498   7.963  -2.472
   60   1HG   PRO  11          1HG       PRO  11  11.482   8.322  -0.208
   61   2HG   PRO  11          2HG       PRO  11  13.025   7.404  -0.148
   62   1HD   PRO  11          1HD       PRO  11  12.725   9.999   0.686
   63   2HD   PRO  11          2HD       PRO  11  14.249   9.417  -0.046
   64    H    VAL  12           H        VAL  12  10.592   8.681  -3.947
   65    HA   VAL  12           HA       VAL  12   8.167   9.957  -2.832
   66    HB   VAL  12           HB       VAL  12   8.672   9.757  -5.828
   67   1HG1  VAL  12          1HG1      VAL  12   6.830  11.345  -5.983
   68   2HG1  VAL  12          2HG1      VAL  12   6.331   9.955  -5.030
   69   3HG1  VAL  12          3HG1      VAL  12   6.740  11.472  -4.205
   70   1HG2  VAL  12          1HG2      VAL  12   9.217  12.234  -4.155
   71   2HG2  VAL  12          2HG2      VAL  12  10.393  11.326  -5.128
   72   3HG2  VAL  12          3HG2      VAL  12   9.085  12.194  -5.922
   73    H    GLU  13           H        GLU  13   9.613   7.431  -4.966
   74    HA   GLU  13           HA       GLU  13   7.297   5.967  -5.489
   75   1HB   GLU  13          1HB       GLU  13  10.174   5.004  -5.214
   76   2HB   GLU  13          2HB       GLU  13   8.885   4.070  -5.958
   77   1HG   GLU  13          1HG       GLU  13   9.987   6.726  -6.938
   78   2HG   GLU  13          2HG       GLU  13  10.259   5.152  -7.639
   79    H    ASP  14           H        ASP  14   8.919   6.065  -2.424
   80    HA   ASP  14           HA       ASP  14   7.725   3.507  -1.516
   81   1HB   ASP  14          1HB       ASP  14   9.040   3.871   0.525
   82   2HB   ASP  14          2HB       ASP  14  10.057   3.788  -0.919
   83    H    LEU  15           H        LEU  15   7.525   7.015  -1.214
   84    HA   LEU  15           HA       LEU  15   5.749   7.062   1.050
   85   1HB   LEU  15          1HB       LEU  15   7.014   9.025   0.445
   86   2HB   LEU  15          2HB       LEU  15   6.345   9.031  -1.187
   87    HG   LEU  15           HG       LEU  15   4.113   9.530  -0.322
   88   1HD1  LEU  15          1HD1      LEU  15   5.454   9.676   2.424
   89   2HD1  LEU  15          2HD1      LEU  15   4.183   8.533   1.932
   90   3HD1  LEU  15          3HD1      LEU  15   3.816  10.253   2.054
   91   1HD2  LEU  15          1HD2      LEU  15   4.576  11.847   0.354
   92   2HD2  LEU  15          2HD2      LEU  15   5.633  11.347  -0.978
   93   3HD2  LEU  15          3HD2      LEU  15   6.264  11.434   0.690
   94    H    ILE  16           H        ILE  16   5.201   7.376  -2.491
   95    HA   ILE  16           HA       ILE  16   2.376   7.194  -2.307
   96    HB   ILE  16           HB       ILE  16   4.235   6.496  -4.628
   97   1HG1  ILE  16          1HG1      ILE  16   2.591   9.010  -4.038
   98   2HG1  ILE  16          2HG1      ILE  16   4.322   8.862  -3.755
   99   1HG2  ILE  16          1HG2      ILE  16   2.119   6.806  -6.040
  100   2HG2  ILE  16          2HG2      ILE  16   2.091   5.381  -5.017
  101   3HG2  ILE  16          3HG2      ILE  16   1.188   6.813  -4.526
  102   1HD1  ILE  16          1HD1      ILE  16   2.964   8.786  -6.470
  103   2HD1  ILE  16          2HD1      ILE  16   4.011  10.039  -5.809
  104   3HD1  ILE  16          3HD1      ILE  16   4.687   8.438  -6.184
  105    H    ARG  17           H        ARG  17   4.850   4.594  -2.605
  106    HA   ARG  17           HA       ARG  17   2.864   2.557  -2.954
  107   1HB   ARG  17          1HB       ARG  17   5.218   2.288  -3.664
  108   2HB   ARG  17          2HB       ARG  17   5.749   2.349  -1.970
  109   1HG   ARG  17          1HG       ARG  17   4.491   0.245  -1.521
  110   2HG   ARG  17          2HG       ARG  17   3.978   0.206  -3.225
  111   1HD   ARG  17          1HD       ARG  17   6.869   0.238  -2.320
  112   2HD   ARG  17          2HD       ARG  17   5.964  -1.258  -2.626
  113    HE   ARG  17           HE       ARG  17   5.685   0.427  -4.885
  114   1HH1  ARG  17          1HH1      ARG  17   8.289  -1.427  -3.342
  115   2HH1  ARG  17          2HH1      ARG  17   8.980  -1.951  -4.843
  116   1HH2  ARG  17          1HH2      ARG  17   6.739   0.096  -6.724
  117   2HH2  ARG  17          2HH2      ARG  17   8.110  -0.982  -6.890
  118    H    PHE  18           H        PHE  18   4.440   3.847  -0.041
  119    HA   PHE  18           HA       PHE  18   3.424   1.923   1.777
  120   1HB   PHE  18          1HB       PHE  18   5.266   3.439   2.246
  121   2HB   PHE  18          2HB       PHE  18   4.242   4.845   2.006
  122    HD1  PHE  18           HD1      PHE  18   2.446   5.405   3.686
  123    HD2  PHE  18           HD2      PHE  18   5.521   2.459   4.400
  124    HE1  PHE  18           HE1      PHE  18   2.195   5.712   6.124
  125    HE2  PHE  18           HE2      PHE  18   5.263   2.757   6.810
  126    HZ   PHE  18           HZ       PHE  18   3.613   4.437   7.705
  127    H    TYR  19           H        TYR  19   2.107   4.909   0.352
  128    HA   TYR  19           HA       TYR  19  -0.282   4.941   1.998
  129   1HB   TYR  19          1HB       TYR  19   0.825   6.863   0.656
  130   2HB   TYR  19          2HB       TYR  19   0.001   6.238  -0.743
  131    HD1  TYR  19           HD1      TYR  19  -2.660   5.860  -0.458
  132    HD2  TYR  19           HD2      TYR  19  -0.253   8.443   2.023
  133    HE1  TYR  19           HE1      TYR  19  -4.693   7.056   0.260
  134    HE2  TYR  19           HE2      TYR  19  -2.269   9.682   2.700
  135    HH   TYR  19           HH       TYR  19  -4.599   9.943   2.347
  136    H    ASN  20           H        ASN  20   0.505   3.939  -1.285
  137    HA   ASN  20           HA       ASN  20  -2.058   3.047  -2.129
  138   1HB   ASN  20          1HB       ASN  20  -0.194   3.338  -3.724
  139   2HB   ASN  20          2HB       ASN  20   0.683   2.011  -2.962
  140   1HD2  ASN  20          2HD2      ASN  20   0.554   0.154  -4.201
  141   2HD2  ASN  20          1HD2      ASN  20  -0.815  -0.291  -5.182
  142    H    ASP  21           H        ASP  21   0.436   1.270  -0.288
  143    HA   ASP  21           HA       ASP  21  -0.793  -1.292  -0.381
  144   1HB   ASP  21          1HB       ASP  21   1.360  -1.320   0.509
  145   2HB   ASP  21          2HB       ASP  21   1.101   0.136   1.466
  146    H    LEU  22           H        LEU  22  -1.134   1.315   2.043
  147    HA   LEU  22           HA       LEU  22  -3.159   0.034   3.569
  148   1HB   LEU  22          1HB       LEU  22  -2.510   2.988   3.182
  149   2HB   LEU  22          2HB       LEU  22  -3.590   2.369   4.420
  150    HG   LEU  22           HG       LEU  22  -0.641   1.614   4.196
  151   1HD1  LEU  22          1HD1      LEU  22  -0.328   3.157   6.082
  152   2HD1  LEU  22          2HD1      LEU  22  -2.042   3.620   6.002
  153   3HD1  LEU  22          3HD1      LEU  22  -0.926   3.998   4.661
  154   1HD2  LEU  22          1HD2      LEU  22  -0.953   0.843   6.542
  155   2HD2  LEU  22          2HD2      LEU  22  -1.884  -0.114   5.392
  156   3HD2  LEU  22          3HD2      LEU  22  -2.699   1.119   6.395
  157    H    GLN  23           H        GLN  23  -3.370   2.431   0.898
  158    HA   GLN  23           HA       GLN  23  -6.194   2.645   0.949
  159   1HB   GLN  23          1HB       GLN  23  -4.781   4.349   0.039
  160   2HB   GLN  23          2HB       GLN  23  -4.080   3.247  -1.157
  161   1HG   GLN  23          1HG       GLN  23  -5.951   3.277  -2.507
  162   2HG   GLN  23          2HG       GLN  23  -7.037   3.580  -1.157
  163   1HE2  GLN  23          2HE2      GLN  23  -4.484   5.184  -3.081
  164   2HE2  GLN  23          1HE2      GLN  23  -5.139   6.795  -2.939
  165    H    GLN  24           H        GLN  24  -4.031   0.284  -0.644
  166    HA   GLN  24           HA       GLN  24  -5.947  -0.846  -2.416
  167   1HB   GLN  24          1HB       GLN  24  -3.536  -1.200  -2.659
  168   2HB   GLN  24          2HB       GLN  24  -3.493  -2.039  -1.113
  169   1HG   GLN  24          1HG       GLN  24  -5.077  -3.761  -2.105
  170   2HG   GLN  24          2HG       GLN  24  -4.872  -2.955  -3.660
  171   1HE2  GLN  24          2HE2      GLN  24  -3.143  -3.648  -4.877
  172   2HE2  GLN  24          1HE2      GLN  24  -1.766  -4.549  -4.293
  173    H    TYR  25           H        TYR  25  -4.932  -1.593   0.879
  174    HA   TYR  25           HA       TYR  25  -6.700  -3.762   1.367
  175   1HB   TYR  25          1HB       TYR  25  -4.704  -2.947   2.735
  176   2HB   TYR  25          2HB       TYR  25  -5.773  -1.756   3.444
  177    HD1  TYR  25           HD1      TYR  25  -7.264  -2.366   5.244
  178    HD2  TYR  25           HD2      TYR  25  -5.183  -5.415   3.005
  179    HE1  TYR  25           HE1      TYR  25  -7.832  -4.040   6.993
  180    HE2  TYR  25           HE2      TYR  25  -5.773  -7.091   4.728
  181    HH   TYR  25           HH       TYR  25  -7.263  -6.196   7.824
  182    H    LEU  26           H        LEU  26  -7.455  -0.436   0.941
  183    HA   LEU  26           HA       LEU  26 -10.135  -0.760   2.153
  184   1HB   LEU  26          1HB       LEU  26  -8.587   1.764   1.467
  185   2HB   LEU  26          2HB       LEU  26 -10.220   1.738   2.129
  186    HG   LEU  26           HG       LEU  26  -7.791   0.552   3.531
  187   1HD1  LEU  26          1HD1      LEU  26  -9.211   3.190   4.014
  188   2HD1  LEU  26          2HD1      LEU  26  -7.578   2.991   3.310
  189   3HD1  LEU  26          3HD1      LEU  26  -7.886   2.534   4.994
  190   1HD2  LEU  26          1HD2      LEU  26  -9.853  -0.508   4.324
  191   2HD2  LEU  26          2HD2      LEU  26 -10.620   1.089   4.527
  192   3HD2  LEU  26          3HD2      LEU  26  -9.260   0.608   5.554
  193    H    ASN  27           H        ASN  27  -8.632  -0.984  -0.792
  194    HA   ASN  27           HA       ASN  27 -11.008  -0.166  -2.351
  195   1HB   ASN  27          1HB       ASN  27  -8.013  -0.124  -2.771
  196   2HB   ASN  27          2HB       ASN  27  -8.976  -0.620  -4.112
  197   1HD2  ASN  27          2HD2      ASN  27  -8.398   2.041  -1.853
  198   2HD2  ASN  27          1HD2      ASN  27  -9.215   3.274  -2.838
  199    H    VAL  28           H        VAL  28  -9.210  -2.838  -1.232
  200    HA   VAL  28           HA       VAL  28 -10.507  -4.611  -3.194
  201    HB   VAL  28           HB       VAL  28  -8.012  -5.005  -1.512
  202   1HG1  VAL  28          1HG1      VAL  28  -8.999  -7.196  -2.035
  203   2HG1  VAL  28          2HG1      VAL  28  -9.147  -6.742  -3.753
  204   3HG1  VAL  28          3HG1      VAL  28  -7.555  -6.960  -3.009
  205   1HG2  VAL  28          1HG2      VAL  28  -8.302  -4.469  -4.520
  206   2HG2  VAL  28          2HG2      VAL  28  -7.622  -3.338  -3.341
  207   3HG2  VAL  28          3HG2      VAL  28  -6.781  -4.841  -3.691
  208    H    VAL  29           H        VAL  29 -10.591  -3.642   0.003
  209    HA   VAL  29           HA       VAL  29 -12.283  -6.027   0.700
  210    HB   VAL  29           HB       VAL  29 -10.917  -4.135   2.610
  211   1HG1  VAL  29          1HG1      VAL  29 -12.874  -5.319   3.542
  212   2HG1  VAL  29          2HG1      VAL  29 -12.177  -6.875   3.038
  213   3HG1  VAL  29          3HG1      VAL  29 -11.379  -5.896   4.283
  214   1HG2  VAL  29          1HG2      VAL  29  -9.269  -5.933   3.075
  215   2HG2  VAL  29          2HG2      VAL  29  -9.929  -6.884   1.735
  216   3HG2  VAL  29          3HG2      VAL  29  -9.122  -5.333   1.428
  217    H    THR  30           H        THR  30 -12.073  -2.544   1.390
  218    HA   THR  30           HA       THR  30 -14.818  -2.446   2.150
  219    HB   THR  30           HB       THR  30 -13.519   0.099   1.304
  220    HG1  THR  30           HG1      THR  30 -12.081   0.084   2.925
  221   1HG2  THR  30          1HG2      THR  30 -15.697  -0.061   2.536
  222   2HG2  THR  30          2HG2      THR  30 -14.483   0.917   3.365
  223   3HG2  THR  30          3HG2      THR  30 -14.838  -0.746   3.921
  224    H    ARG  31           H        ARG  31 -13.372  -2.249  -1.068
  225    HA   ARG  31           HA       ARG  31 -15.430  -0.697  -2.273
  226   1HB   ARG  31          1HB       ARG  31 -13.369  -0.957  -3.400
  227   2HB   ARG  31          2HB       ARG  31 -13.414  -2.693  -3.243
  228   1HG   ARG  31          1HG       ARG  31 -13.690  -2.063  -5.531
  229   2HG   ARG  31          2HG       ARG  31 -15.161  -2.870  -4.967
  230   1HD   ARG  31          1HD       ARG  31 -16.366  -0.838  -4.868
  231   2HD   ARG  31          2HD       ARG  31 -14.886   0.147  -4.874
  232    HE   ARG  31           HE       ARG  31 -15.050  -1.367  -7.290
  233   1HH1  ARG  31          1HH1      ARG  31 -16.434   1.428  -5.693
  234   2HH1  ARG  31          2HH1      ARG  31 -16.456   2.473  -7.079
  235   1HH2  ARG  31          1HH2      ARG  31 -15.123  -0.164  -9.136
  236   2HH2  ARG  31          2HH2      ARG  31 -15.671   1.483  -9.185
  237    H    HIS  32           H        HIS  32 -15.283  -3.961  -1.300
  238    HA   HIS  32           HA       HIS  32 -17.948  -4.602  -2.388
  239   1HB   HIS  32          1HB       HIS  32 -15.582  -6.180  -1.481
  240   2HB   HIS  32          2HB       HIS  32 -17.115  -6.912  -1.206
  241    HD1  HIS  32           HD1      HIS  32 -18.692  -7.348  -3.501
  242    HD2  HIS  32           HD2      HIS  32 -14.738  -5.968  -4.042
  243    HE1  HIS  32           HE1      HIS  32 -18.130  -7.672  -5.953
  244    H    ARG  33           H        ARG  33 -17.437  -2.680  -0.045
  245    HA   ARG  33           HA       ARG  33 -19.506  -3.913   1.661
  246   1HB   ARG  33          1HB       ARG  33 -17.074  -4.233   2.596
  247   2HB   ARG  33          2HB       ARG  33 -17.150  -2.514   2.959
  248   1HG   ARG  33          1HG       ARG  33 -17.873  -3.529   4.947
  249   2HG   ARG  33          2HG       ARG  33 -19.367  -3.012   4.197
  250   1HD   ARG  33          1HD       ARG  33 -19.671  -5.268   5.064
  251   2HD   ARG  33          2HD       ARG  33 -19.743  -5.319   3.319
  252    HE   ARG  33           HE       ARG  33 -18.065  -6.779   3.296
  253   1HH1  ARG  33          1HH1      ARG  33 -17.900  -5.292   6.509
  254   2HH1  ARG  33          2HH1      ARG  33 -16.247  -5.699   6.809
  255   1HH2  ARG  33          1HH2      ARG  33 -15.926  -7.620   3.812
  256   2HH2  ARG  33          2HH2      ARG  33 -15.095  -7.002   5.211
  257    H    TYR  34           H        TYR  34 -17.581  -0.851   1.341
  258    HA   TYR  34           HA       TYR  34 -19.760   0.742   2.396
  259   1HB   TYR  34          1HB       TYR  34 -17.407   1.306   2.762
  260   2HB   TYR  34          2HB       TYR  34 -17.150   1.527   1.040
  261    HD1  TYR  34           HD1      TYR  34 -18.353   3.461  -0.139
  262    HD2  TYR  34           HD2      TYR  34 -18.176   3.053   4.155
  263    HE1  TYR  34           HE1      TYR  34 -18.972   5.825   0.102
  264    HE2  TYR  34           HE2      TYR  34 -18.792   5.444   4.409
  265    HH   TYR  34           HH       TYR  34 -19.737   7.440   1.604
  266   1HN   NH2  35          1H        NH2  35 -21.558   1.223   1.200
  267   2HN   NH2  35          2H        NH2  35 -21.600   1.298  -0.547
  268   2HN   ZAB  10          H         AZO  10   7.529  16.136   2.358
  269   2HA   ZAB  10          2HA       AZO  10   8.634  13.437   2.519
  270   3HA   ZAB  10          3HA       AZO  10   8.421  14.080   0.867
  271    HG2  ZAB  10           HG2      AZO  10   9.808  14.937   4.250
  272    HD2  ZAB  10           HD2      AZO  10  11.762  16.406   4.592
  273    HE   ZAB  10           HE       AZO  10  12.854  17.517   2.646
  274    HG1  ZAB  10           HG1      AZO  10  10.015  15.640  -0.005
  275    HJ2  ZAB  10           HJ2      AZO  10  15.812  17.413  -0.171
  276    HK2  ZAB  10           HK2      AZO  10  17.481  15.606  -0.062
  277    HL   ZAB  10           HL       AZO  10  16.771  13.238  -0.106
  278    HJ1  ZAB  10           HJ1      AZO  10  12.643  14.480  -0.395
  279   2HM   ZAB  10          2HM       AZO  10  15.095  11.633  -0.086
  280   3HM   ZAB  10          3HM       AZO  10  13.572  12.134   0.649
  Start of MODEL    4
    1   1H    GLY   1          H         GLY   1  30.380  16.565   3.273
    2   1HA   GLY   1          1HA       GLY   1  32.860  17.721   4.428
    3   2HA   GLY   1          2HA       GLY   1  31.487  18.690   3.818
    4    HA   PRO   2           HA       PRO   2  30.671  17.963   8.299
    5   1HB   PRO   2          1HB       PRO   2  29.334  20.289   8.838
    6   2HB   PRO   2          2HB       PRO   2  31.120  20.208   8.750
    7   1HG   PRO   2          1HG       PRO   2  29.184  21.073   6.580
    8   2HG   PRO   2          2HG       PRO   2  30.669  21.912   7.131
    9   1HD   PRO   2          1HD       PRO   2  30.636  20.289   4.932
   10   2HD   PRO   2          2HD       PRO   2  32.063  20.367   6.012
   11    H    SER   3           H        SER   3  28.622  17.583   9.354
   12    HA   SER   3           HA       SER   3  26.099  17.757   7.952
   13   1HB   SER   3          1HB       SER   3  27.667  15.161   8.140
   14   2HB   SER   3          2HB       SER   3  25.927  15.108   8.387
   15    HG   SER   3           HG       SER   3  25.900  14.881   6.386
   16    H    GLN   4           H        GLN   4  24.444  16.580   9.243
   17    HA   GLN   4           HA       GLN   4  24.739  15.831  11.941
   18   1HB   GLN   4          1HB       GLN   4  23.283  17.636  12.892
   19   2HB   GLN   4          2HB       GLN   4  24.918  18.155  12.522
   20   1HG   GLN   4          1HG       GLN   4  24.210  19.441  10.639
   21   2HG   GLN   4          2HG       GLN   4  22.618  18.655  10.601
   22   1HE2  GLN   4          2HE2      GLN   4  21.388  20.579  10.861
   23   2HE2  GLN   4          1HE2      GLN   4  21.274  21.313  12.459
   24    HA   PRO   5           HA       PRO   5  21.013  14.088  10.327
   25   1HB   PRO   5          1HB       PRO   5  19.736  13.091  12.481
   26   2HB   PRO   5          2HB       PRO   5  21.347  12.507  11.997
   27   1HG   PRO   5          1HG       PRO   5  20.722  14.509  14.165
   28   2HG   PRO   5          2HG       PRO   5  21.838  13.101  14.202
   29   1HD   PRO   5          1HD       PRO   5  22.639  15.698  13.690
   30   2HD   PRO   5          2HD       PRO   5  23.486  14.250  13.061
   31    H    THR   6           H        THR   6  19.124  14.858   9.588
   32    HA   THR   6           HA       THR   6  17.486  16.737  11.165
   33    HB   THR   6           HB       THR   6  18.249  17.150   8.241
   34    HG1  THR   6           HG1      THR   6  19.881  18.143   8.874
   35   1HG2  THR   6          1HG2      THR   6  17.283  19.440   8.607
   36   2HG2  THR   6          2HG2      THR   6  16.643  18.869  10.168
   37   3HG2  THR   6          3HG2      THR   6  16.100  18.135   8.644
   38    H    TYR   7           H        TYR   7  15.255  16.616  10.418
   39    HA   TYR   7           HA       TYR   7  13.439  15.315  10.089
   40   1HB   TYR   7          1HB       TYR   7  13.914  16.813   8.124
   41   2HB   TYR   7          2HB       TYR   7  14.539  15.412   7.272
   42    HD1  TYR   7           HD1      TYR   7  11.522  16.924   8.846
   43    HD2  TYR   7           HD2      TYR   7  13.045  13.814   6.266
   44    HE1  TYR   7           HE1      TYR   7   9.223  16.430   8.099
   45    HE2  TYR   7           HE2      TYR   7  10.761  13.297   5.541
   46    HH   TYR   7           HH       TYR   7   7.935  15.211   6.646
   47    HA   PRO   8           HA       PRO   8  15.721  11.225  10.040
   48   1HB   PRO   8          1HB       PRO   8  14.763  10.275  12.469
   49   2HB   PRO   8          2HB       PRO   8  16.227  11.282  12.281
   50   1HG   PRO   8          1HG       PRO   8  13.475  12.154  13.082
   51   2HG   PRO   8          2HG       PRO   8  15.063  12.641  13.754
   52   1HD   PRO   8          1HD       PRO   8  13.675  14.165  11.954
   53   2HD   PRO   8          2HD       PRO   8  15.463  14.102  11.992
   54    H    GLY   9           H        GLY   9  14.688  10.158   8.443
   55   1HA   GLY   9          1HA       GLY   9  11.831   9.361   8.783
   56   2HA   GLY   9          2HA       GLY   9  12.700   9.503   7.250
   57    HA   PRO  11           HA       PRO  11  13.835   8.819   0.360
   58   1HB   PRO  11          1HB       PRO  11  12.437   6.517   0.767
   59   2HB   PRO  11          2HB       PRO  11  14.224   6.578   0.786
   60   1HG   PRO  11          1HG       PRO  11  12.333   6.644   3.160
   61   2HG   PRO  11          2HG       PRO  11  13.788   5.627   2.928
   62   1HD   PRO  11          1HD       PRO  11  13.839   7.964   4.353
   63   2HD   PRO  11          2HD       PRO  11  15.236   7.437   3.366
   64    H    VAL  12           H        VAL  12  11.875   9.008  -0.777
   65    HA   VAL  12           HA       VAL  12   9.455   9.820   0.784
   66    HB   VAL  12           HB       VAL  12  10.404  10.795  -1.925
   67   1HG1  VAL  12          1HG1      VAL  12   7.943  10.868  -1.700
   68   2HG1  VAL  12          2HG1      VAL  12   8.106  11.760  -0.176
   69   3HG1  VAL  12          3HG1      VAL  12   8.624  12.492  -1.712
   70   1HG2  VAL  12          1HG2      VAL  12  10.490  12.167   0.796
   71   2HG2  VAL  12          2HG2      VAL  12  11.888  11.721  -0.202
   72   3HG2  VAL  12          3HG2      VAL  12  10.784  12.992  -0.741
   73    H    GLU  13           H        GLU  13  10.826   7.831  -1.847
   74    HA   GLU  13           HA       GLU  13   8.355   6.962  -2.931
   75   1HB   GLU  13          1HB       GLU  13  11.055   5.548  -2.701
   76   2HB   GLU  13          2HB       GLU  13   9.698   4.953  -3.666
   77   1HG   GLU  13          1HG       GLU  13  11.132   7.616  -4.063
   78   2HG   GLU  13          2HG       GLU  13  11.315   6.178  -5.067
   79    H    ASP  14           H        ASP  14   9.911   6.235   0.051
   80    HA   ASP  14           HA       ASP  14   8.692   3.754   0.725
   81   1HB   ASP  14          1HB       ASP  14  10.719   4.830   1.826
   82   2HB   ASP  14          2HB       ASP  14   9.622   5.973   2.604
   83    H    LEU  15           H        LEU  15   7.892   7.125   1.408
   84    HA   LEU  15           HA       LEU  15   5.547   6.726   2.924
   85   1HB   LEU  15          1HB       LEU  15   6.949   8.975   1.459
   86   2HB   LEU  15          2HB       LEU  15   5.272   9.182   1.828
   87    HG   LEU  15           HG       LEU  15   5.708   8.841   4.230
   88   1HD1  LEU  15          1HD1      LEU  15   7.691   7.374   4.169
   89   2HD1  LEU  15          2HD1      LEU  15   8.049   8.841   5.072
   90   3HD1  LEU  15          3HD1      LEU  15   8.651   8.671   3.410
   91   1HD2  LEU  15          1HD2      LEU  15   6.864  10.979   4.533
   92   2HD2  LEU  15          2HD2      LEU  15   5.749  11.077   3.187
   93   3HD2  LEU  15          3HD2      LEU  15   7.490  10.913   2.874
   94    H    ILE  16           H        ILE  16   6.218   6.900  -0.521
   95    HA   ILE  16           HA       ILE  16   3.453   7.264  -1.400
   96    HB   ILE  16           HB       ILE  16   6.071   6.444  -2.740
   97   1HG1  ILE  16          1HG1      ILE  16   5.829   8.851  -2.077
   98   2HG1  ILE  16          2HG1      ILE  16   6.181   8.535  -3.766
   99   1HG2  ILE  16          1HG2      ILE  16   4.516   5.265  -4.059
  100   2HG2  ILE  16          2HG2      ILE  16   3.365   6.611  -4.055
  101   3HG2  ILE  16          3HG2      ILE  16   4.897   6.742  -4.938
  102   1HD1  ILE  16          1HD1      ILE  16   3.833   8.984  -4.377
  103   2HD1  ILE  16          2HD1      ILE  16   3.442   9.277  -2.659
  104   3HD1  ILE  16          3HD1      ILE  16   4.559  10.342  -3.536
  105    H    ARG  17           H        ARG  17   5.761   4.436  -1.497
  106    HA   ARG  17           HA       ARG  17   3.679   2.673  -2.212
  107   1HB   ARG  17          1HB       ARG  17   5.192   0.846  -1.807
  108   2HB   ARG  17          2HB       ARG  17   6.024   2.174  -2.618
  109   1HG   ARG  17          1HG       ARG  17   6.868   2.878  -0.298
  110   2HG   ARG  17          2HG       ARG  17   6.192   1.369   0.306
  111   1HD   ARG  17          1HD       ARG  17   8.596   1.214  -0.066
  112   2HD   ARG  17          2HD       ARG  17   7.715   0.085  -1.098
  113    HE   ARG  17           HE       ARG  17   8.012   2.277  -2.713
  114   1HH1  ARG  17          1HH1      ARG  17  10.360   0.324  -0.881
  115   2HH1  ARG  17          2HH1      ARG  17  11.680   0.732  -1.920
  116   1HH2  ARG  17          1HH2      ARG  17   9.729   2.614  -4.218
  117   2HH2  ARG  17          2HH2      ARG  17  11.288   1.982  -3.893
  118    H    PHE  18           H        PHE  18   4.703   3.560   1.086
  119    HA   PHE  18           HA       PHE  18   3.184   1.617   2.449
  120   1HB   PHE  18          1HB       PHE  18   4.804   3.192   3.463
  121   2HB   PHE  18          2HB       PHE  18   3.707   4.531   3.164
  122    HD1  PHE  18           HD1      PHE  18   2.251   5.198   4.947
  123    HD2  PHE  18           HD2      PHE  18   3.844   1.181   4.893
  124    HE1  PHE  18           HE1      PHE  18   1.461   4.835   7.269
  125    HE2  PHE  18           HE2      PHE  18   2.958   0.804   7.167
  126    HZ   PHE  18           HZ       PHE  18   1.782   2.641   8.372
  127    H    TYR  19           H        TYR  19   2.227   4.746   1.043
  128    HA   TYR  19           HA       TYR  19  -0.498   4.552   2.031
  129   1HB   TYR  19          1HB       TYR  19   1.131   6.589   1.129
  130   2HB   TYR  19          2HB       TYR  19   0.066   6.412  -0.227
  131    HD1  TYR  19           HD1      TYR  19  -2.454   6.783   0.124
  132    HD2  TYR  19           HD2      TYR  19   0.381   7.268   3.350
  133    HE1  TYR  19           HE1      TYR  19  -4.200   7.859   1.507
  134    HE2  TYR  19           HE2      TYR  19  -1.348   8.362   4.714
  135    HH   TYR  19           HH       TYR  19  -3.698   8.601   4.895
  136    H    ASN  20           H        ASN  20   1.156   3.717  -0.912
  137    HA   ASN  20           HA       ASN  20  -1.197   3.437  -2.603
  138   1HB   ASN  20          1HB       ASN  20   1.667   2.528  -2.864
  139   2HB   ASN  20          2HB       ASN  20   0.433   1.870  -3.918
  140   1HD2  ASN  20          2HD2      ASN  20   1.391   5.141  -2.675
  141   2HD2  ASN  20          1HD2      ASN  20   0.988   5.997  -4.144
  142    H    ASP  21           H        ASP  21   0.619   1.134  -0.508
  143    HA   ASP  21           HA       ASP  21  -1.102  -1.060  -1.320
  144   1HB   ASP  21          1HB       ASP  21   1.262  -1.239  -0.313
  145   2HB   ASP  21          2HB       ASP  21   0.502  -0.969   1.258
  146    H    LEU  22           H        LEU  22  -1.026   1.167   1.489
  147    HA   LEU  22           HA       LEU  22  -3.179  -0.021   2.874
  148   1HB   LEU  22          1HB       LEU  22  -1.961   2.748   2.876
  149   2HB   LEU  22          2HB       LEU  22  -3.350   2.390   3.893
  150    HG   LEU  22           HG       LEU  22  -0.747   0.820   3.994
  151   1HD1  LEU  22          1HD1      LEU  22  -1.762   3.000   5.874
  152   2HD1  LEU  22          2HD1      LEU  22  -0.465   3.200   4.656
  153   3HD1  LEU  22          3HD1      LEU  22  -0.236   2.085   6.000
  154   1HD2  LEU  22          1HD2      LEU  22  -2.650  -0.498   4.848
  155   2HD2  LEU  22          2HD2      LEU  22  -3.159   0.863   5.878
  156   3HD2  LEU  22          3HD2      LEU  22  -1.625   0.014   6.164
  157    H    GLN  23           H        GLN  23  -3.281   2.562   0.370
  158    HA   GLN  23           HA       GLN  23  -6.125   2.924   0.764
  159   1HB   GLN  23          1HB       GLN  23  -6.119   4.326  -1.166
  160   2HB   GLN  23          2HB       GLN  23  -4.647   4.648  -0.260
  161   1HG   GLN  23          1HG       GLN  23  -3.495   3.056  -1.944
  162   2HG   GLN  23          2HG       GLN  23  -4.972   3.168  -2.901
  163   1HE2  GLN  23          2HE2      GLN  23  -2.400   5.042  -1.401
  164   2HE2  GLN  23          1HE2      GLN  23  -2.439   6.454  -2.454
  165    H    GLN  24           H        GLN  24  -4.159   0.822  -1.364
  166    HA   GLN  24           HA       GLN  24  -6.295  -0.228  -2.885
  167   1HB   GLN  24          1HB       GLN  24  -3.877  -0.443  -3.380
  168   2HB   GLN  24          2HB       GLN  24  -3.718  -1.576  -2.036
  169   1HG   GLN  24          1HG       GLN  24  -5.264  -3.146  -3.137
  170   2HG   GLN  24          2HG       GLN  24  -5.489  -2.009  -4.475
  171   1HE2  GLN  24          2HE2      GLN  24  -3.169  -1.221  -5.395
  172   2HE2  GLN  24          1HE2      GLN  24  -1.982  -2.517  -5.602
  173    H    TYR  25           H        TYR  25  -4.921  -1.188   0.215
  174    HA   TYR  25           HA       TYR  25  -6.531  -3.469   0.704
  175   1HB   TYR  25          1HB       TYR  25  -4.458  -2.739   1.942
  176   2HB   TYR  25          2HB       TYR  25  -5.424  -1.518   2.758
  177    HD1  TYR  25           HD1      TYR  25  -5.701  -2.111   5.010
  178    HD2  TYR  25           HD2      TYR  25  -5.900  -5.204   1.994
  179    HE1  TYR  25           HE1      TYR  25  -6.163  -3.795   6.748
  180    HE2  TYR  25           HE2      TYR  25  -6.372  -6.875   3.725
  181    HH   TYR  25           HH       TYR  25  -6.997  -5.961   7.133
  182    H    LEU  26           H        LEU  26  -7.550  -0.089   0.775
  183    HA   LEU  26           HA       LEU  26 -10.030  -0.961   2.177
  184   1HB   LEU  26          1HB       LEU  26  -8.979   1.789   1.440
  185   2HB   LEU  26          2HB       LEU  26 -10.592   1.515   2.088
  186    HG   LEU  26           HG       LEU  26  -8.031   0.750   3.543
  187   1HD1  LEU  26          1HD1      LEU  26  -8.264   3.194   3.305
  188   2HD1  LEU  26          2HD1      LEU  26  -8.445   2.674   4.984
  189   3HD1  LEU  26          3HD1      LEU  26  -9.883   3.112   4.039
  190   1HD2  LEU  26          1HD2      LEU  26  -9.936  -0.609   4.313
  191   2HD2  LEU  26          2HD2      LEU  26 -10.958   0.832   4.425
  192   3HD2  LEU  26          3HD2      LEU  26  -9.591   0.631   5.521
  193    H    ASN  27           H        ASN  27  -8.853  -0.191  -0.849
  194    HA   ASN  27           HA       ASN  27 -11.445  -0.103  -2.071
  195   1HB   ASN  27          1HB       ASN  27  -9.000   0.967  -2.681
  196   2HB   ASN  27          2HB       ASN  27  -8.943  -0.454  -3.725
  197   1HD2  ASN  27          2HD2      ASN  27  -8.820   2.076  -4.817
  198   2HD2  ASN  27          1HD2      ASN  27 -10.353   2.495  -5.517
  199    H    VAL  28           H        VAL  28  -9.519  -2.661  -1.207
  200    HA   VAL  28           HA       VAL  28 -10.943  -4.474  -3.110
  201    HB   VAL  28           HB       VAL  28  -8.270  -4.820  -1.685
  202   1HG1  VAL  28          1HG1      VAL  28  -7.937  -6.784  -3.177
  203   2HG1  VAL  28          2HG1      VAL  28  -9.281  -7.020  -2.075
  204   3HG1  VAL  28          3HG1      VAL  28  -9.605  -6.606  -3.770
  205   1HG2  VAL  28          1HG2      VAL  28  -8.762  -4.392  -4.663
  206   2HG2  VAL  28          2HG2      VAL  28  -8.165  -3.138  -3.572
  207   3HG2  VAL  28          3HG2      VAL  28  -7.196  -4.573  -3.843
  208    H    VAL  29           H        VAL  29 -10.619  -3.576   0.190
  209    HA   VAL  29           HA       VAL  29 -11.987  -6.118   0.988
  210    HB   VAL  29           HB       VAL  29 -10.459  -4.119   2.650
  211   1HG1  VAL  29          1HG1      VAL  29 -12.218  -5.206   4.010
  212   2HG1  VAL  29          2HG1      VAL  29 -11.662  -6.799   3.453
  213   3HG1  VAL  29          3HG1      VAL  29 -10.613  -5.792   4.467
  214   1HG2  VAL  29          1HG2      VAL  29  -9.742  -6.928   1.705
  215   2HG2  VAL  29          2HG2      VAL  29  -8.940  -5.420   1.234
  216   3HG2  VAL  29          3HG2      VAL  29  -8.822  -5.989   2.895
  217    H    THR  30           H        THR  30 -12.287  -2.627   1.642
  218    HA   THR  30           HA       THR  30 -14.971  -3.171   2.594
  219    HB   THR  30           HB       THR  30 -14.625  -0.352   2.093
  220    HG1  THR  30           HG1      THR  30 -12.882   0.026   3.317
  221   1HG2  THR  30          1HG2      THR  30 -14.677  -2.068   4.621
  222   2HG2  THR  30          2HG2      THR  30 -16.088  -1.341   3.811
  223   3HG2  THR  30          3HG2      THR  30 -14.877  -0.313   4.591
  224    H    ARG  31           H        ARG  31 -13.645  -2.409  -0.556
  225    HA   ARG  31           HA       ARG  31 -15.991  -1.327  -1.712
  226   1HB   ARG  31          1HB       ARG  31 -13.762  -1.326  -2.772
  227   2HB   ARG  31          2HB       ARG  31 -13.856  -3.087  -2.972
  228   1HG   ARG  31          1HG       ARG  31 -15.797  -2.768  -4.534
  229   2HG   ARG  31          2HG       ARG  31 -15.610  -1.008  -4.350
  230   1HD   ARG  31          1HD       ARG  31 -13.262  -1.221  -5.189
  231   2HD   ARG  31          2HD       ARG  31 -13.517  -2.961  -5.420
  232    HE   ARG  31           HE       ARG  31 -15.566  -1.571  -6.809
  233   1HH1  ARG  31          1HH1      ARG  31 -12.003  -1.995  -7.093
  234   2HH1  ARG  31          2HH1      ARG  31 -11.990  -1.279  -8.668
  235   1HH2  ARG  31          1HH2      ARG  31 -15.434  -0.758  -8.859
  236   2HH2  ARG  31          2HH2      ARG  31 -13.902  -0.588  -9.666
  237    H    HIS  32           H        HIS  32 -15.207  -4.555  -0.927
  238    HA   HIS  32           HA       HIS  32 -17.186  -5.965  -2.436
  239   1HB   HIS  32          1HB       HIS  32 -15.589  -6.610   0.057
  240   2HB   HIS  32          2HB       HIS  32 -16.724  -7.732  -0.629
  241    HD1  HIS  32           HD1      HIS  32 -14.306  -9.157  -0.819
  242    HD2  HIS  32           HD2      HIS  32 -15.154  -6.076  -3.570
  243    HE1  HIS  32           HE1      HIS  32 -12.859  -9.582  -2.869
  244    H    ARG  33           H        ARG  33 -17.566  -3.993   0.361
  245    HA   ARG  33           HA       ARG  33 -20.336  -5.032   0.776
  246   1HB   ARG  33          1HB       ARG  33 -20.047  -4.352   3.162
  247   2HB   ARG  33          2HB       ARG  33 -19.007  -5.677   2.627
  248   1HG   ARG  33          1HG       ARG  33 -17.113  -4.093   2.366
  249   2HG   ARG  33          2HG       ARG  33 -18.107  -2.787   3.031
  250   1HD   ARG  33          1HD       ARG  33 -17.347  -5.365   4.441
  251   2HD   ARG  33          2HD       ARG  33 -16.478  -3.826   4.555
  252    HE   ARG  33           HE       ARG  33 -19.014  -3.118   5.278
  253   1HH1  ARG  33          1HH1      ARG  33 -16.494  -5.341   6.417
  254   2HH1  ARG  33          2HH1      ARG  33 -17.102  -5.502   8.029
  255   1HH2  ARG  33          1HH2      ARG  33 -19.821  -3.243   7.455
  256   2HH2  ARG  33          2HH2      ARG  33 -18.971  -4.171   8.649
  257    H    TYR  34           H        TYR  34 -18.267  -2.074   1.009
  258    HA   TYR  34           HA       TYR  34 -20.562  -0.328   1.198
  259   1HB   TYR  34          1HB       TYR  34 -18.392   0.131   2.276
  260   2HB   TYR  34          2HB       TYR  34 -17.609   0.190   0.700
  261    HD1  TYR  34           HD1      TYR  34 -17.053   2.341   0.015
  262    HD2  TYR  34           HD2      TYR  34 -20.679   1.790   2.302
  263    HE1  TYR  34           HE1      TYR  34 -17.541   4.742  -0.159
  264    HE2  TYR  34           HE2      TYR  34 -21.165   4.202   2.121
  265    HH   TYR  34           HH       TYR  34 -19.059   6.457   0.254
  266   1HN   NH2  35          1H        NH2  35 -18.987  -1.936  -1.507
  267   2HN   NH2  35          2H        NH2  35 -19.822  -0.987  -2.696
  268   2HN   ZAB  10          H         AZO  10  14.025   7.756   6.566
  269   2HA   ZAB  10          2HA       AZO  10  14.626   5.506   8.370
  270   3HA   ZAB  10          3HA       AZO  10  13.481   5.173   7.052
  271    HG2  ZAB  10           HG2      AZO  10  14.382   4.419   5.025
  272    HD2  ZAB  10           HD2      AZO  10  16.265   4.244   3.423
  273    HE   ZAB  10           HE       AZO  10  18.425   5.386   3.901
  274    HG1  ZAB  10           HG1      AZO  10  16.801   6.889   7.600
  275    HJ2  ZAB  10           HJ2      AZO  10  20.394   8.752   3.279
  276    HK2  ZAB  10           HK2      AZO  10  19.355  10.246   1.580
  277    HL   ZAB  10           HL       AZO  10  17.043  11.035   1.872
  278    HJ1  ZAB  10           HJ1      AZO  10  16.769   8.830   5.583
  279   2HM   ZAB  10          2HM       AZO  10  14.851   9.948   4.777
  280   3HM   ZAB  10          3HM       AZO  10  15.303  11.504   4.085
  Start of MODEL    5
    1   1H    GLY   1          H         GLY   1  19.994  27.857  -0.662
    2   1HA   GLY   1          1HA       GLY   1  22.376  28.231  -0.206
    3   2HA   GLY   1          2HA       GLY   1  21.388  28.421   1.260
    4    HA   PRO   2           HA       PRO   2  24.420  25.335   2.587
    5   1HB   PRO   2          1HB       PRO   2  24.008  25.485   5.294
    6   2HB   PRO   2          2HB       PRO   2  24.853  26.771   4.385
    7   1HG   PRO   2          1HG       PRO   2  21.921  26.666   5.167
    8   2HG   PRO   2          2HG       PRO   2  23.084  28.005   5.438
    9   1HD   PRO   2          1HD       PRO   2  21.391  27.979   3.309
   10   2HD   PRO   2          2HD       PRO   2  23.058  28.607   3.153
   11    H    SER   3           H        SER   3  24.134  23.382   4.278
   12    HA   SER   3           HA       SER   3  21.465  22.252   4.305
   13   1HB   SER   3          1HB       SER   3  22.471  20.082   3.282
   14   2HB   SER   3          2HB       SER   3  22.010  21.401   2.203
   15    HG   SER   3           HG       SER   3  24.094  20.450   1.781
   16    H    GLN   4           H        GLN   4  22.078  19.706   5.275
   17    HA   GLN   4           HA       GLN   4  24.046  19.714   7.295
   18   1HB   GLN   4          1HB       GLN   4  22.589  19.798   9.294
   19   2HB   GLN   4          2HB       GLN   4  22.534  21.303   8.425
   20   1HG   GLN   4          1HG       GLN   4  20.345  20.458   7.357
   21   2HG   GLN   4          2HG       GLN   4  20.415  19.113   8.507
   22   1HE2  GLN   4          2HE2      GLN   4  19.833  19.538  10.678
   23   2HE2  GLN   4          1HE2      GLN   4  19.291  21.098  11.258
   24    HA   PRO   5           HA       PRO   5  22.966  15.465   6.768
   25   1HB   PRO   5          1HB       PRO   5  23.431  14.265   9.206
   26   2HB   PRO   5          2HB       PRO   5  24.727  14.850   8.136
   27   1HG   PRO   5          1HG       PRO   5  23.487  16.289  10.492
   28   2HG   PRO   5          2HG       PRO   5  25.221  16.026  10.141
   29   1HD   PRO   5          1HD       PRO   5  24.036  18.339   9.468
   30   2HD   PRO   5          2HD       PRO   5  25.173  17.580   8.325
   31    H    THR   6           H        THR   6  21.278  14.027   6.910
   32    HA   THR   6           HA       THR   6  18.917  14.822   8.421
   33    HB   THR   6           HB       THR   6  18.360  12.414   7.126
   34    HG1  THR   6           HG1      THR   6  20.158  12.221   5.907
   35   1HG2  THR   6          1HG2      THR   6  18.255  15.230   5.966
   36   2HG2  THR   6          2HG2      THR   6  17.033  14.471   7.017
   37   3HG2  THR   6          3HG2      THR   6  17.318  13.820   5.398
   38    H    TYR   7           H        TYR   7  18.037  13.571  10.108
   39    HA   TYR   7           HA       TYR   7  19.998  12.097  11.663
   40   1HB   TYR   7          1HB       TYR   7  17.181  13.090  12.040
   41   2HB   TYR   7          2HB       TYR   7  17.671  11.716  12.987
   42    HD1  TYR   7           HD1      TYR   7  19.255  15.057  12.019
   43    HD2  TYR   7           HD2      TYR   7  18.489  12.123  15.094
   44    HE1  TYR   7           HE1      TYR   7  20.446  16.452  13.656
   45    HE2  TYR   7           HE2      TYR   7  19.687  13.494  16.723
   46    HH   TYR   7           HH       TYR   7  20.960  15.358  17.057
   47    HA   PRO   8           HA       PRO   8  18.955   8.047  10.225
   48   1HB   PRO   8          1HB       PRO   8  19.484   6.458  12.392
   49   2HB   PRO   8          2HB       PRO   8  20.761   7.363  11.525
   50   1HG   PRO   8          1HG       PRO   8  19.307   8.197  14.046
   51   2HG   PRO   8          2HG       PRO   8  21.077   8.164  13.753
   52   1HD   PRO   8          1HD       PRO   8  19.628  10.432  13.482
   53   2HD   PRO   8          2HD       PRO   8  20.990  10.063  12.380
   54    H    GLY   9           H        GLY   9  17.439   6.169  10.612
   55   1HA   GLY   9          1HA       GLY   9  15.458   5.187  11.399
   56   2HA   GLY   9          2HA       GLY   9  15.313   6.475  12.608
   57    HA   PRO  11           HA       PRO  11  13.751   8.107  -0.298
   58   1HB   PRO  11          1HB       PRO  11  12.547   6.140   1.108
   59   2HB   PRO  11          2HB       PRO  11  14.320   6.330   1.098
   60   1HG   PRO  11          1HG       PRO  11  12.372   7.302   3.218
   61   2HG   PRO  11          2HG       PRO  11  13.895   6.396   3.445
   62   1HD   PRO  11          1HD       PRO  11  13.722   9.133   3.657
   63   2HD   PRO  11          2HD       PRO  11  15.201   8.310   3.077
   64    H    VAL  12           H        VAL  12  12.417  10.014  -0.860
   65    HA   VAL  12           HA       VAL  12   9.911  10.632   0.407
   66    HB   VAL  12           HB       VAL  12  10.817  11.209  -2.439
   67   1HG1  VAL  12          1HG1      VAL  12   8.945  12.794  -0.633
   68   2HG1  VAL  12          2HG1      VAL  12   9.409  13.208  -2.294
   69   3HG1  VAL  12          3HG1      VAL  12   8.425  11.770  -1.991
   70   1HG2  VAL  12          1HG2      VAL  12  12.610  12.063  -1.175
   71   2HG2  VAL  12          2HG2      VAL  12  11.566  13.461  -1.379
   72   3HG2  VAL  12          3HG2      VAL  12  11.561  12.576   0.161
   73    H    GLU  13           H        GLU  13  10.854   8.399  -2.170
   74    HA   GLU  13           HA       GLU  13   8.305   7.755  -3.207
   75   1HB   GLU  13          1HB       GLU  13  10.580   7.327  -4.209
   76   2HB   GLU  13          2HB       GLU  13  10.820   6.034  -3.016
   77   1HG   GLU  13          1HG       GLU  13  10.125   5.113  -5.168
   78   2HG   GLU  13          2HG       GLU  13   8.913   4.778  -3.959
   79    H    ASP  14           H        ASP  14   9.918   6.687  -0.263
   80    HA   ASP  14           HA       ASP  14   8.643   4.226   0.242
   81   1HB   ASP  14          1HB       ASP  14  10.535   5.229   1.551
   82   2HB   ASP  14          2HB       ASP  14   9.434   6.440   2.205
   83    H    LEU  15           H        LEU  15   7.727   7.519   1.083
   84    HA   LEU  15           HA       LEU  15   5.308   6.924   2.377
   85   1HB   LEU  15          1HB       LEU  15   6.776   9.307   1.487
   86   2HB   LEU  15          2HB       LEU  15   5.070   9.517   1.180
   87    HG   LEU  15           HG       LEU  15   5.602  10.452   3.292
   88   1HD1  LEU  15          1HD1      LEU  15   3.408   9.255   3.163
   89   2HD1  LEU  15          2HD1      LEU  15   4.069   9.375   4.798
   90   3HD1  LEU  15          3HD1      LEU  15   4.170   7.841   3.925
   91   1HD2  LEU  15          1HD2      LEU  15   6.713   7.738   4.102
   92   2HD2  LEU  15          2HD2      LEU  15   6.539   9.143   5.167
   93   3HD2  LEU  15          3HD2      LEU  15   7.655   9.209   3.790
   94    H    ILE  16           H        ILE  16   5.942   6.833  -1.046
   95    HA   ILE  16           HA       ILE  16   3.082   7.345  -1.707
   96    HB   ILE  16           HB       ILE  16   5.507   6.764  -3.462
   97   1HG1  ILE  16          1HG1      ILE  16   4.719   8.904  -4.578
   98   2HG1  ILE  16          2HG1      ILE  16   3.550   9.118  -3.278
   99   1HG2  ILE  16          1HG2      ILE  16   3.605   5.514  -4.407
  100   2HG2  ILE  16          2HG2      ILE  16   2.566   6.943  -4.260
  101   3HG2  ILE  16          3HG2      ILE  16   3.933   6.934  -5.393
  102   1HD1  ILE  16          1HD1      ILE  16   6.574   9.020  -2.935
  103   2HD1  ILE  16          2HD1      ILE  16   5.616  10.499  -3.068
  104   3HD1  ILE  16          3HD1      ILE  16   5.387   9.438  -1.673
  105    H    ARG  17           H        ARG  17   5.525   4.716  -1.925
  106    HA   ARG  17           HA       ARG  17   3.780   2.622  -2.617
  107   1HB   ARG  17          1HB       ARG  17   6.299   2.603  -0.882
  108   2HB   ARG  17          2HB       ARG  17   5.535   1.139  -1.522
  109   1HG   ARG  17          1HG       ARG  17   5.996   1.754  -3.779
  110   2HG   ARG  17          2HG       ARG  17   6.490   3.401  -3.327
  111   1HD   ARG  17          1HD       ARG  17   8.389   2.544  -2.070
  112   2HD   ARG  17          2HD       ARG  17   7.943   0.872  -2.478
  113    HE   ARG  17           HE       ARG  17   8.087   2.144  -4.896
  114   1HH1  ARG  17          1HH1      ARG  17  10.433   1.571  -2.254
  115   2HH1  ARG  17          2HH1      ARG  17  11.802   1.766  -3.338
  116   1HH2  ARG  17          1HH2      ARG  17  10.004   2.045  -6.277
  117   2HH2  ARG  17          2HH2      ARG  17  11.558   2.025  -5.500
  118    H    PHE  18           H        PHE  18   4.802   3.532   0.709
  119    HA   PHE  18           HA       PHE  18   3.223   1.560   2.012
  120   1HB   PHE  18          1HB       PHE  18   4.473   4.180   2.880
  121   2HB   PHE  18          2HB       PHE  18   3.496   3.225   3.970
  122    HD1  PHE  18           HD1      PHE  18   4.750   2.143   5.557
  123    HD2  PHE  18           HD2      PHE  18   6.286   2.294   1.517
  124    HE1  PHE  18           HE1      PHE  18   6.723   0.887   6.245
  125    HE2  PHE  18           HE2      PHE  18   8.240   1.003   2.214
  126    HZ   PHE  18           HZ       PHE  18   8.480   0.267   4.589
  127    H    TYR  19           H        TYR  19   2.284   4.641   0.613
  128    HA   TYR  19           HA       TYR  19  -0.177   4.877   2.215
  129   1HB   TYR  19          1HB       TYR  19   1.157   6.806   1.344
  130   2HB   TYR  19          2HB       TYR  19   0.736   6.372  -0.300
  131    HD1  TYR  19           HD1      TYR  19  -1.874   6.202  -0.825
  132    HD2  TYR  19           HD2      TYR  19  -0.156   8.303   2.541
  133    HE1  TYR  19           HE1      TYR  19  -3.968   7.450  -0.534
  134    HE2  TYR  19           HE2      TYR  19  -2.233   9.569   2.832
  135    HH   TYR  19           HH       TYR  19  -4.393   9.892   2.057
  136    H    ASN  20           H        ASN  20   0.817   4.306  -1.117
  137    HA   ASN  20           HA       ASN  20  -1.589   3.705  -2.344
  138   1HB   ASN  20          1HB       ASN  20   0.541   4.087  -3.496
  139   2HB   ASN  20          2HB       ASN  20   1.085   2.477  -2.996
  140   1HD2  ASN  20          2HD2      ASN  20   0.820   1.009  -4.651
  141   2HD2  ASN  20          1HD2      ASN  20  -0.491   1.060  -5.821
  142    H    ASP  21           H        ASP  21   0.504   1.445  -0.507
  143    HA   ASP  21           HA       ASP  21  -1.086  -0.860  -1.162
  144   1HB   ASP  21          1HB       ASP  21   1.268  -0.996  -0.387
  145   2HB   ASP  21          2HB       ASP  21   0.761  -0.435   1.212
  146    H    LEU  22           H        LEU  22  -1.314   1.540   1.446
  147    HA   LEU  22           HA       LEU  22  -3.241  -0.023   2.973
  148   1HB   LEU  22          1HB       LEU  22  -2.420   2.914   3.059
  149   2HB   LEU  22          2HB       LEU  22  -3.654   2.223   4.115
  150    HG   LEU  22           HG       LEU  22  -0.790   1.192   3.936
  151   1HD1  LEU  22          1HD1      LEU  22  -2.082   3.037   5.976
  152   2HD1  LEU  22          2HD1      LEU  22  -0.745   3.392   4.878
  153   3HD1  LEU  22          3HD1      LEU  22  -0.501   2.234   6.185
  154   1HD2  LEU  22          1HD2      LEU  22  -2.114  -0.587   4.668
  155   2HD2  LEU  22          2HD2      LEU  22  -3.165   0.423   5.668
  156   3HD2  LEU  22          3HD2      LEU  22  -1.458   0.076   6.139
  157    H    GLN  23           H        GLN  23  -3.461   2.617   0.557
  158    HA   GLN  23           HA       GLN  23  -6.363   2.575   0.701
  159   1HB   GLN  23          1HB       GLN  23  -6.416   3.805  -1.398
  160   2HB   GLN  23          2HB       GLN  23  -5.301   4.553  -0.252
  161   1HG   GLN  23          1HG       GLN  23  -3.423   3.879  -1.436
  162   2HG   GLN  23          2HG       GLN  23  -4.273   2.585  -2.308
  163   1HE2  GLN  23          2HE2      GLN  23  -5.424   2.986  -4.216
  164   2HE2  GLN  23          1HE2      GLN  23  -5.198   4.503  -5.055
  165    H    GLN  24           H        GLN  24  -4.082   0.324  -0.666
  166    HA   GLN  24           HA       GLN  24  -5.774  -0.731  -2.768
  167   1HB   GLN  24          1HB       GLN  24  -3.145  -0.985  -2.395
  168   2HB   GLN  24          2HB       GLN  24  -3.630  -2.325  -1.350
  169   1HG   GLN  24          1HG       GLN  24  -3.230  -3.307  -3.414
  170   2HG   GLN  24          2HG       GLN  24  -4.989  -3.187  -3.364
  171   1HE2  GLN  24          2HE2      GLN  24  -2.232  -2.548  -5.259
  172   2HE2  GLN  24          1HE2      GLN  24  -2.971  -1.359  -6.352
  173    H    TYR  25           H        TYR  25  -4.900  -1.784   0.483
  174    HA   TYR  25           HA       TYR  25  -6.701  -3.922   0.792
  175   1HB   TYR  25          1HB       TYR  25  -4.851  -3.235   2.321
  176   2HB   TYR  25          2HB       TYR  25  -5.797  -1.861   2.856
  177    HD1  TYR  25           HD1      TYR  25  -7.301  -2.081   4.694
  178    HD2  TYR  25           HD2      TYR  25  -5.700  -5.596   2.775
  179    HE1  TYR  25           HE1      TYR  25  -7.979  -3.436   6.631
  180    HE2  TYR  25           HE2      TYR  25  -6.349  -6.964   4.719
  181    HH   TYR  25           HH       TYR  25  -7.587  -5.475   7.720
  182    H    LEU  26           H        LEU  26  -7.264  -0.462   1.613
  183    HA   LEU  26           HA       LEU  26  -9.990  -0.880   2.213
  184   1HB   LEU  26          1HB       LEU  26  -8.533   1.653   1.357
  185   2HB   LEU  26          2HB       LEU  26 -10.165   1.644   2.029
  186    HG   LEU  26           HG       LEU  26  -7.725   0.535   3.504
  187   1HD1  LEU  26          1HD1      LEU  26  -9.104   3.228   3.792
  188   2HD1  LEU  26          2HD1      LEU  26  -7.466   2.933   3.179
  189   3HD1  LEU  26          3HD1      LEU  26  -7.836   2.588   4.866
  190   1HD2  LEU  26          1HD2      LEU  26  -9.774  -0.478   4.333
  191   2HD2  LEU  26          2HD2      LEU  26 -10.592   1.095   4.395
  192   3HD2  LEU  26          3HD2      LEU  26  -9.238   0.734   5.483
  193    H    ASN  27           H        ASN  27  -8.639  -0.879  -0.828
  194    HA   ASN  27           HA       ASN  27 -11.224  -0.318  -2.113
  195   1HB   ASN  27          1HB       ASN  27  -8.377  -0.014  -2.911
  196   2HB   ASN  27          2HB       ASN  27  -9.304  -0.777  -4.113
  197   1HD2  ASN  27          2HD2      ASN  27  -8.100   2.045  -3.736
  198   2HD2  ASN  27          1HD2      ASN  27  -9.368   3.169  -4.111
  199    H    VAL  28           H        VAL  28  -9.556  -2.981  -1.040
  200    HA   VAL  28           HA       VAL  28 -11.133  -4.678  -2.905
  201    HB   VAL  28           HB       VAL  28  -8.493  -5.345  -1.523
  202   1HG1  VAL  28          1HG1      VAL  28  -8.449  -7.306  -3.040
  203   2HG1  VAL  28          2HG1      VAL  28  -9.836  -7.364  -1.972
  204   3HG1  VAL  28          3HG1      VAL  28 -10.046  -6.863  -3.680
  205   1HG2  VAL  28          1HG2      VAL  28  -8.065  -3.678  -3.297
  206   2HG2  VAL  28          2HG2      VAL  28  -7.467  -5.252  -3.785
  207   3HG2  VAL  28          3HG2      VAL  28  -9.000  -4.634  -4.449
  208    H    VAL  29           H        VAL  29 -10.596  -3.734   0.308
  209    HA   VAL  29           HA       VAL  29 -12.038  -6.086   1.370
  210    HB   VAL  29           HB       VAL  29 -10.680  -3.740   2.710
  211   1HG1  VAL  29          1HG1      VAL  29 -12.591  -4.393   4.134
  212   2HG1  VAL  29          2HG1      VAL  29 -12.131  -6.105   3.988
  213   3HG1  VAL  29          3HG1      VAL  29 -11.078  -4.957   4.842
  214   1HG2  VAL  29          1HG2      VAL  29 -10.083  -6.727   2.606
  215   2HG2  VAL  29          2HG2      VAL  29  -9.181  -5.473   1.739
  216   3HG2  VAL  29          3HG2      VAL  29  -9.152  -5.503   3.504
  217    H    THR  30           H        THR  30 -12.415  -2.574   1.765
  218    HA   THR  30           HA       THR  30 -15.218  -2.902   2.259
  219    HB   THR  30           HB       THR  30 -14.901  -0.235   2.162
  220    HG1  THR  30           HG1      THR  30 -12.649  -0.236   1.660
  221   1HG2  THR  30          1HG2      THR  30 -13.896  -2.008   4.439
  222   2HG2  THR  30          2HG2      THR  30 -15.607  -1.667   4.107
  223   3HG2  THR  30          3HG2      THR  30 -14.528  -0.351   4.566
  224    H    ARG  31           H        ARG  31 -13.475  -1.941  -0.678
  225    HA   ARG  31           HA       ARG  31 -15.800  -0.749  -1.850
  226   1HB   ARG  31          1HB       ARG  31 -13.368  -0.731  -2.737
  227   2HB   ARG  31          2HB       ARG  31 -13.740  -2.353  -3.366
  228   1HG   ARG  31          1HG       ARG  31 -15.648  -1.257  -4.692
  229   2HG   ARG  31          2HG       ARG  31 -14.944   0.304  -4.202
  230   1HD   ARG  31          1HD       ARG  31 -12.714  -0.591  -5.119
  231   2HD   ARG  31          2HD       ARG  31 -13.643  -1.945  -5.801
  232    HE   ARG  31           HE       ARG  31 -14.943   0.325  -6.708
  233   1HH1  ARG  31          1HH1      ARG  31 -11.880  -1.378  -7.223
  234   2HH1  ARG  31          2HH1      ARG  31 -11.367  -0.386  -8.548
  235   1HH2  ARG  31          1HH2      ARG  31 -14.142   1.822  -8.319
  236   2HH2  ARG  31          2HH2      ARG  31 -12.820   1.387  -9.318
  237    H    HIS  32           H        HIS  32 -14.870  -4.007  -1.432
  238    HA   HIS  32           HA       HIS  32 -17.069  -5.080  -3.083
  239   1HB   HIS  32          1HB       HIS  32 -14.502  -5.874  -2.810
  240   2HB   HIS  32          2HB       HIS  32 -15.218  -6.861  -1.534
  241    HD1  HIS  32           HD1      HIS  32 -17.843  -7.876  -2.853
  242    HD2  HIS  32           HD2      HIS  32 -14.166  -7.368  -4.857
  243    HE1  HIS  32           HE1      HIS  32 -17.973  -9.273  -5.001
  244    H    ARG  33           H        ARG  33 -16.868  -4.144   0.192
  245    HA   ARG  33           HA       ARG  33 -19.147  -5.950   0.807
  246   1HB   ARG  33          1HB       ARG  33 -17.072  -6.982   1.668
  247   2HB   ARG  33          2HB       ARG  33 -16.833  -5.586   2.728
  248   1HG   ARG  33          1HG       ARG  33 -18.843  -6.102   3.973
  249   2HG   ARG  33          2HG       ARG  33 -19.380  -7.268   2.751
  250   1HD   ARG  33          1HD       ARG  33 -17.628  -8.810   3.366
  251   2HD   ARG  33          2HD       ARG  33 -16.855  -7.620   4.389
  252    HE   ARG  33           HE       ARG  33 -19.341  -9.128   4.913
  253   1HH1  ARG  33          1HH1      ARG  33 -17.042  -6.652   6.101
  254   2HH1  ARG  33          2HH1      ARG  33 -17.686  -6.635   7.698
  255   1HH2  ARG  33          1HH2      ARG  33 -20.181  -9.090   7.060
  256   2HH2  ARG  33          2HH2      ARG  33 -19.480  -8.039   8.254
  257    H    TYR  34           H        TYR  34 -17.991  -2.727   0.827
  258    HA   TYR  34           HA       TYR  34 -20.149  -1.929   2.695
  259   1HB   TYR  34          1HB       TYR  34 -17.771  -1.485   3.456
  260   2HB   TYR  34          2HB       TYR  34 -17.620  -0.362   2.110
  261    HD1  TYR  34           HD1      TYR  34 -19.319   1.592   1.972
  262    HD2  TYR  34           HD2      TYR  34 -18.850  -0.871   5.481
  263    HE1  TYR  34           HE1      TYR  34 -20.457   3.313   3.344
  264    HE2  TYR  34           HE2      TYR  34 -19.924   0.867   6.862
  265    HH   TYR  34           HH       TYR  34 -20.858   3.032   6.897
  266   1HN   NH2  35          1H        NH2  35 -18.128  -0.871  -0.109
  267   2HN   NH2  35          2H        NH2  35 -19.459  -0.252  -1.032
  268   2HN   ZAB  10          H         AZO  10  15.679   6.461   9.114
  269   2HA   ZAB  10          2HA       AZO  10  13.354   7.122   7.998
  270   3HA   ZAB  10          3HA       AZO  10  13.945   8.715   8.528
  271    HG2  ZAB  10           HG2      AZO  10  14.431   5.953   6.187
  272    HD2  ZAB  10           HD2      AZO  10  16.181   5.888   4.427
  273    HE   ZAB  10           HE       AZO  10  17.971   7.607   4.382
  274    HG1  ZAB  10           HG1      AZO  10  16.319   9.412   7.933
  275    HJ2  ZAB  10           HJ2      AZO  10  20.187  11.094   3.348
  276    HK2  ZAB  10           HK2      AZO  10  19.398  11.993   1.187
  277    HL   ZAB  10           HL       AZO  10  16.978  12.071   0.660
  278    HJ1  ZAB  10           HJ1      AZO  10  16.093  10.369   4.509
  279   2HM   ZAB  10          2HM       AZO  10  14.324  11.168   3.150
  280   3HM   ZAB  10          3HM       AZO  10  14.696  12.297   1.868
  Start of MODEL    6
    1   1H    GLY   1          H         GLY   1 -15.816  19.481  -4.788
    2   1HA   GLY   1          1HA       GLY   1 -13.621  18.483  -4.363
    3   2HA   GLY   1          2HA       GLY   1 -13.512  19.686  -5.657
    4    HA   PRO   2           HA       PRO   2 -11.567  21.529  -1.675
    5   1HB   PRO   2          1HB       PRO   2 -10.255  19.829  -0.030
    6   2HB   PRO   2          2HB       PRO   2 -12.033  20.000   0.076
    7   1HG   PRO   2          1HG       PRO   2 -10.443  17.856  -1.373
    8   2HG   PRO   2          2HG       PRO   2 -11.827  17.639  -0.262
    9   1HD   PRO   2          1HD       PRO   2 -12.055  17.712  -3.023
   10   2HD   PRO   2          2HD       PRO   2 -13.363  18.227  -1.926
   11    H    SER   3           H        SER   3  -9.243  22.093  -1.476
   12    HA   SER   3           HA       SER   3  -7.743  21.547  -3.841
   13   1HB   SER   3          1HB       SER   3  -6.852  22.712  -1.159
   14   2HB   SER   3          2HB       SER   3  -5.982  22.842  -2.703
   15    HG   SER   3           HG       SER   3  -7.080  24.496  -3.074
   16    H    GLN   4           H        GLN   4  -5.273  20.890  -3.526
   17    HA   GLN   4           HA       GLN   4  -4.954  18.630  -1.665
   18   1HB   GLN   4          1HB       GLN   4  -4.136  17.205  -3.527
   19   2HB   GLN   4          2HB       GLN   4  -5.854  17.516  -3.560
   20   1HG   GLN   4          1HG       GLN   4  -3.811  18.882  -5.328
   21   2HG   GLN   4          2HG       GLN   4  -4.778  17.481  -5.778
   22   1HE2  GLN   4          2HE2      GLN   4  -7.359  17.853  -5.480
   23   2HE2  GLN   4          1HE2      GLN   4  -7.874  19.471  -5.933
   24    HA   PRO   5           HA       PRO   5  -1.263  21.446  -2.329
   25   1HB   PRO   5          1HB       PRO   5  -0.995  22.552   0.166
   26   2HB   PRO   5          2HB       PRO   5  -2.034  23.263  -1.111
   27   1HG   PRO   5          1HG       PRO   5  -2.875  21.395   1.126
   28   2HG   PRO   5          2HG       PRO   5  -3.627  22.957   0.651
   29   1HD   PRO   5          1HD       PRO   5  -4.667  20.644  -0.246
   30   2HD   PRO   5          2HD       PRO   5  -4.490  22.048  -1.338
   31    H    THR   6           H        THR   6   0.343  19.994  -2.426
   32    HA   THR   6           HA       THR   6   0.638  17.932  -0.337
   33    HB   THR   6           HB       THR   6   2.350  17.118  -2.040
   34    HG1  THR   6           HG1      THR   6   1.051  18.489  -4.057
   35   1HG2  THR   6          1HG2      THR   6   0.188  16.031  -1.892
   36   2HG2  THR   6          2HG2      THR   6   0.632  16.202  -3.600
   37   3HG2  THR   6          3HG2      THR   6  -0.569  17.291  -2.890
   38    H    TYR   7           H        TYR   7   2.878  17.526   0.437
   39    HA   TYR   7           HA       TYR   7   4.713  19.830   0.372
   40   1HB   TYR   7          1HB       TYR   7   3.241  20.208   2.328
   41   2HB   TYR   7          2HB       TYR   7   3.725  18.663   2.998
   42    HD1  TYR   7           HD1      TYR   7   5.116  21.935   1.739
   43    HD2  TYR   7           HD2      TYR   7   5.664  18.629   4.457
   44    HE1  TYR   7           HE1      TYR   7   7.036  23.069   2.760
   45    HE2  TYR   7           HE2      TYR   7   7.594  19.768   5.481
   46    HH   TYR   7           HH       TYR   7   8.860  22.867   4.122
   47    HA   PRO   8           HA       PRO   8   6.445  15.527  -0.103
   48   1HB   PRO   8          1HB       PRO   8   7.701  15.823  -2.503
   49   2HB   PRO   8          2HB       PRO   8   5.956  15.459  -2.371
   50   1HG   PRO   8          1HG       PRO   8   7.256  18.156  -2.858
   51   2HG   PRO   8          2HG       PRO   8   5.840  17.429  -3.657
   52   1HD   PRO   8          1HD       PRO   8   5.676  19.246  -1.589
   53   2HD   PRO   8          2HD       PRO   8   4.438  17.999  -1.921
   54    H    GLY   9           H        GLY   9   8.213  15.295   1.128
   55   1HA   GLY   9          1HA       GLY   9  10.300  17.433   1.178
   56   2HA   GLY   9          2HA       GLY   9   9.909  16.322   2.497
   57    HA   PRO  11           HA       PRO  11  13.400   8.929  -2.891
   58   1HB   PRO  11          1HB       PRO  11  12.138   6.606  -3.755
   59   2HB   PRO  11          2HB       PRO  11  13.863   6.984  -4.043
   60   1HG   PRO  11          1HG       PRO  11  12.693   5.350  -1.805
   61   2HG   PRO  11          2HG       PRO  11  14.060   4.913  -2.889
   62   1HD   PRO  11          1HD       PRO  11  14.451   5.900  -0.408
   63   2HD   PRO  11          2HD       PRO  11  15.473   6.484  -1.757
   64    H    VAL  12           H        VAL  12  11.483   9.833  -3.236
   65    HA   VAL  12           HA       VAL  12   9.453   9.805  -1.201
   66    HB   VAL  12           HB       VAL  12   9.079  10.941  -3.991
   67   1HG1  VAL  12          1HG1      VAL  12   8.250  11.957  -1.246
   68   2HG1  VAL  12          2HG1      VAL  12   7.832  12.691  -2.808
   69   3HG1  VAL  12          3HG1      VAL  12   7.198  11.092  -2.383
   70   1HG2  VAL  12          1HG2      VAL  12  10.150  13.066  -3.246
   71   2HG2  VAL  12          2HG2      VAL  12  10.816  12.226  -1.845
   72   3HG2  VAL  12          3HG2      VAL  12  11.299  11.757  -3.486
   73    H    GLU  13           H        GLU  13   9.645   8.370  -4.483
   74    HA   GLU  13           HA       GLU  13   6.983   7.512  -4.657
   75   1HB   GLU  13          1HB       GLU  13   8.653   7.543  -6.484
   76   2HB   GLU  13          2HB       GLU  13   9.475   6.174  -5.719
   77   1HG   GLU  13          1HG       GLU  13   7.359   4.817  -6.004
   78   2HG   GLU  13          2HG       GLU  13   6.629   6.208  -6.834
   79    H    ASP  14           H        ASP  14   9.787   5.791  -3.176
   80    HA   ASP  14           HA       ASP  14   8.433   3.373  -2.690
   81   1HB   ASP  14          1HB       ASP  14  10.673   4.649  -1.075
   82   2HB   ASP  14          2HB       ASP  14  10.132   2.983  -0.911
   83    H    LEU  15           H        LEU  15   8.354   6.439  -0.980
   84    HA   LEU  15           HA       LEU  15   7.024   5.417   1.403
   85   1HB   LEU  15          1HB       LEU  15   8.460   7.372   1.569
   86   2HB   LEU  15          2HB       LEU  15   7.536   8.219   0.324
   87    HG   LEU  15           HG       LEU  15   5.536   8.188   1.796
   88   1HD1  LEU  15          1HD1      LEU  15   6.175   6.236   3.240
   89   2HD1  LEU  15          2HD1      LEU  15   5.863   7.671   4.199
   90   3HD1  LEU  15          3HD1      LEU  15   7.533   7.180   3.877
   91   1HD2  LEU  15          1HD2      LEU  15   6.257   9.986   3.240
   92   2HD2  LEU  15          2HD2      LEU  15   7.032  10.149   1.660
   93   3HD2  LEU  15          3HD2      LEU  15   7.961   9.524   3.036
   94    H    ILE  16           H        ILE  16   6.132   6.953  -1.692
   95    HA   ILE  16           HA       ILE  16   3.340   7.312  -1.106
   96    HB   ILE  16           HB       ILE  16   4.841   7.054  -3.747
   97   1HG1  ILE  16          1HG1      ILE  16   3.568   9.498  -2.439
   98   2HG1  ILE  16          2HG1      ILE  16   5.257   9.081  -2.228
   99   1HG2  ILE  16          1HG2      ILE  16   2.782   7.937  -4.832
  100   2HG2  ILE  16          2HG2      ILE  16   2.525   6.350  -4.125
  101   3HG2  ILE  16          3HG2      ILE  16   1.922   7.788  -3.282
  102   1HD1  ILE  16          1HD1      ILE  16   5.527   9.173  -4.759
  103   2HD1  ILE  16          2HD1      ILE  16   3.904   9.894  -4.821
  104   3HD1  ILE  16          3HD1      ILE  16   5.212  10.708  -3.949
  105    H    ARG  17           H        ARG  17   5.269   4.608  -2.466
  106    HA   ARG  17           HA       ARG  17   3.095   2.869  -3.076
  107   1HB   ARG  17          1HB       ARG  17   5.920   2.243  -2.130
  108   2HB   ARG  17          2HB       ARG  17   4.801   1.008  -2.656
  109   1HG   ARG  17          1HG       ARG  17   5.700   3.287  -4.487
  110   2HG   ARG  17          2HG       ARG  17   6.583   1.782  -4.283
  111   1HD   ARG  17          1HD       ARG  17   5.373   1.255  -6.131
  112   2HD   ARG  17          2HD       ARG  17   4.327   0.601  -4.870
  113    HE   ARG  17           HE       ARG  17   3.737   3.363  -5.646
  114   1HH1  ARG  17          1HH1      ARG  17   3.169  -0.049  -6.539
  115   2HH1  ARG  17          2HH1      ARG  17   1.985   0.309  -7.725
  116   1HH2  ARG  17          1HH2      ARG  17   1.959   3.815  -7.046
  117   2HH2  ARG  17          2HH2      ARG  17   1.105   2.525  -7.845
  118    H    PHE  18           H        PHE  18   4.964   3.164  -0.010
  119    HA   PHE  18           HA       PHE  18   3.541   1.273   1.482
  120   1HB   PHE  18          1HB       PHE  18   5.645   2.480   2.117
  121   2HB   PHE  18          2HB       PHE  18   4.703   3.914   2.458
  122    HD1  PHE  18           HD1      PHE  18   2.939   3.813   4.374
  123    HD2  PHE  18           HD2      PHE  18   5.970   0.798   3.778
  124    HE1  PHE  18           HE1      PHE  18   2.770   3.165   6.753
  125    HE2  PHE  18           HE2      PHE  18   5.803   0.162   6.153
  126    HZ   PHE  18           HZ       PHE  18   4.221   1.370   7.669
  127    H    TYR  19           H        TYR  19   2.620   4.602   0.622
  128    HA   TYR  19           HA       TYR  19   0.343   4.689   2.472
  129   1HB   TYR  19          1HB       TYR  19   1.645   6.688   1.355
  130   2HB   TYR  19          2HB       TYR  19   0.656   6.383  -0.033
  131    HD1  TYR  19           HD1      TYR  19  -1.177   7.831  -0.262
  132    HD2  TYR  19           HD2      TYR  19   0.084   6.691   3.715
  133    HE1  TYR  19           HE1      TYR  19  -2.919   9.283   0.710
  134    HE2  TYR  19           HE2      TYR  19  -1.690   8.107   4.677
  135    HH   TYR  19           HH       TYR  19  -3.222   9.928   4.165
  136    H    ASN  20           H        ASN  20   0.898   4.119  -0.943
  137    HA   ASN  20           HA       ASN  20  -1.787   3.739  -1.791
  138   1HB   ASN  20          1HB       ASN  20   0.400   4.034  -3.206
  139   2HB   ASN  20          2HB       ASN  20   0.530   2.281  -3.071
  140   1HD2  ASN  20          2HD2      ASN  20  -0.026   1.624  -5.191
  141   2HD2  ASN  20          1HD2      ASN  20  -1.521   2.094  -5.961
  142    H    ASP  21           H        ASP  21   0.333   1.582  -0.048
  143    HA   ASP  21           HA       ASP  21  -0.917  -0.935  -0.558
  144   1HB   ASP  21          1HB       ASP  21   1.334  -0.384   0.579
  145   2HB   ASP  21          2HB       ASP  21   0.423  -0.053   2.036
  146    H    LEU  22           H        LEU  22  -1.257   1.474   2.035
  147    HA   LEU  22           HA       LEU  22  -3.278   0.274   3.539
  148   1HB   LEU  22          1HB       LEU  22  -2.845   3.248   3.161
  149   2HB   LEU  22          2HB       LEU  22  -3.697   2.484   4.494
  150    HG   LEU  22           HG       LEU  22  -0.775   2.037   3.834
  151   1HD1  LEU  22          1HD1      LEU  22  -2.022   3.822   5.984
  152   2HD1  LEU  22          2HD1      LEU  22  -1.196   4.376   4.519
  153   3HD1  LEU  22          3HD1      LEU  22  -0.280   3.521   5.756
  154   1HD2  LEU  22          1HD2      LEU  22  -0.626   1.114   6.137
  155   2HD2  LEU  22          2HD2      LEU  22  -1.592   0.158   5.033
  156   3HD2  LEU  22          3HD2      LEU  22  -2.415   1.170   6.233
  157    H    GLN  23           H        GLN  23  -3.371   2.473   0.801
  158    HA   GLN  23           HA       GLN  23  -6.235   2.824   0.680
  159   1HB   GLN  23          1HB       GLN  23  -4.099   3.305  -1.427
  160   2HB   GLN  23          2HB       GLN  23  -5.777   3.864  -1.524
  161   1HG   GLN  23          1HG       GLN  23  -5.462   5.174   0.545
  162   2HG   GLN  23          2HG       GLN  23  -3.771   4.659   0.631
  163   1HE2  GLN  23          2HE2      GLN  23  -5.062   7.352   0.323
  164   2HE2  GLN  23          1HE2      GLN  23  -4.364   8.096  -1.101
  165    H    GLN  24           H        GLN  24  -3.947   0.489  -0.748
  166    HA   GLN  24           HA       GLN  24  -5.674  -0.598  -2.697
  167   1HB   GLN  24          1HB       GLN  24  -3.175  -1.066  -2.513
  168   2HB   GLN  24          2HB       GLN  24  -3.533  -2.054  -1.134
  169   1HG   GLN  24          1HG       GLN  24  -3.172  -3.402  -3.103
  170   2HG   GLN  24          2HG       GLN  24  -4.792  -3.645  -2.465
  171   1HE2  GLN  24          2HE2      GLN  24  -6.601  -2.636  -3.622
  172   2HE2  GLN  24          1HE2      GLN  24  -6.483  -2.327  -5.346
  173    H    TYR  25           H        TYR  25  -5.128  -1.345   0.693
  174    HA   TYR  25           HA       TYR  25  -6.771  -3.637   0.986
  175   1HB   TYR  25          1HB       TYR  25  -5.081  -2.747   2.613
  176   2HB   TYR  25          2HB       TYR  25  -6.173  -1.443   3.020
  177    HD1  TYR  25           HD1      TYR  25  -8.458  -1.997   4.097
  178    HD2  TYR  25           HD2      TYR  25  -5.252  -4.880   3.654
  179    HE1  TYR  25           HE1      TYR  25  -9.456  -3.396   5.880
  180    HE2  TYR  25           HE2      TYR  25  -6.233  -6.249   5.461
  181    HH   TYR  25           HH       TYR  25  -7.864  -6.187   7.316
  182    H    LEU  26           H        LEU  26  -7.535  -0.160   1.624
  183    HA   LEU  26           HA       LEU  26 -10.300  -0.553   2.031
  184   1HB   LEU  26          1HB       LEU  26  -8.850   1.906   0.984
  185   2HB   LEU  26          2HB       LEU  26 -10.517   1.909   1.554
  186    HG   LEU  26           HG       LEU  26  -8.148   1.165   3.288
  187   1HD1  LEU  26          1HD1      LEU  26  -8.412   3.365   4.313
  188   2HD1  LEU  26          2HD1      LEU  26  -9.698   3.780   3.140
  189   3HD1  LEU  26          3HD1      LEU  26  -8.012   3.510   2.590
  190   1HD2  LEU  26          1HD2      LEU  26  -9.756   1.539   5.165
  191   2HD2  LEU  26          2HD2      LEU  26 -10.224   0.189   4.132
  192   3HD2  LEU  26          3HD2      LEU  26 -11.058   1.743   3.980
  193    H    ASN  27           H        ASN  27  -8.667  -0.919  -0.832
  194    HA   ASN  27           HA       ASN  27 -11.043  -0.349  -2.480
  195   1HB   ASN  27          1HB       ASN  27  -8.160   0.007  -2.855
  196   2HB   ASN  27          2HB       ASN  27  -8.663  -1.199  -3.993
  197   1HD2  ASN  27          2HD2      ASN  27  -7.891   1.858  -4.039
  198   2HD2  ASN  27          1HD2      ASN  27  -8.949   2.310  -5.364
  199    H    VAL  28           H        VAL  28  -9.427  -2.984  -1.175
  200    HA   VAL  28           HA       VAL  28 -10.875  -4.799  -3.035
  201    HB   VAL  28           HB       VAL  28  -8.205  -5.057  -1.599
  202   1HG1  VAL  28          1HG1      VAL  28  -9.655  -7.186  -3.215
  203   2HG1  VAL  28          2HG1      VAL  28  -7.939  -7.268  -2.765
  204   3HG1  VAL  28          3HG1      VAL  28  -9.177  -7.284  -1.505
  205   1HG2  VAL  28          1HG2      VAL  28  -7.263  -5.246  -3.871
  206   2HG2  VAL  28          2HG2      VAL  28  -8.892  -5.171  -4.578
  207   3HG2  VAL  28          3HG2      VAL  28  -8.219  -3.762  -3.756
  208    H    VAL  29           H        VAL  29 -10.620  -3.665   0.129
  209    HA   VAL  29           HA       VAL  29 -12.045  -6.138   1.131
  210    HB   VAL  29           HB       VAL  29 -10.730  -3.939   2.743
  211   1HG1  VAL  29          1HG1      VAL  29 -10.972  -5.538   4.610
  212   2HG1  VAL  29          2HG1      VAL  29 -12.558  -5.083   3.977
  213   3HG1  VAL  29          3HG1      VAL  29 -11.854  -6.668   3.563
  214   1HG2  VAL  29          1HG2      VAL  29  -9.813  -6.776   2.058
  215   2HG2  VAL  29          2HG2      VAL  29  -9.038  -5.281   1.510
  216   3HG2  VAL  29          3HG2      VAL  29  -9.018  -5.699   3.213
  217    H    THR  30           H        THR  30 -12.362  -2.618   1.524
  218    HA   THR  30           HA       THR  30 -15.133  -2.964   2.274
  219    HB   THR  30           HB       THR  30 -14.698  -0.228   1.924
  220    HG1  THR  30           HG1      THR  30 -12.427  -1.236   3.293
  221   1HG2  THR  30          1HG2      THR  30 -14.502  -0.200   4.382
  222   2HG2  THR  30          2HG2      THR  30 -14.224  -1.959   4.395
  223   3HG2  THR  30          3HG2      THR  30 -15.779  -1.318   3.861
  224    H    ARG  31           H        ARG  31 -13.610  -2.363  -0.853
  225    HA   ARG  31           HA       ARG  31 -15.894  -1.056  -1.931
  226   1HB   ARG  31          1HB       ARG  31 -13.551  -1.059  -2.913
  227   2HB   ARG  31          2HB       ARG  31 -13.851  -2.691  -3.491
  228   1HG   ARG  31          1HG       ARG  31 -14.179  -1.051  -5.255
  229   2HG   ARG  31          2HG       ARG  31 -15.700  -1.882  -4.920
  230   1HD   ARG  31          1HD       ARG  31 -16.659  -0.022  -3.854
  231   2HD   ARG  31          2HD       ARG  31 -15.093   0.684  -3.445
  232    HE   ARG  31           HE       ARG  31 -16.660   1.172  -5.775
  233   1HH1  ARG  31          1HH1      ARG  31 -13.286   1.166  -4.565
  234   2HH1  ARG  31          2HH1      ARG  31 -12.681   2.110  -5.879
  235   1HH2  ARG  31          1HH2      ARG  31 -15.833   2.252  -7.528
  236   2HH2  ARG  31          2HH2      ARG  31 -14.145   2.649  -7.686
  237    H    HIS  32           H        HIS  32 -15.196  -4.369  -1.539
  238    HA   HIS  32           HA       HIS  32 -17.337  -5.429  -3.114
  239   1HB   HIS  32          1HB       HIS  32 -15.221  -6.456  -1.378
  240   2HB   HIS  32          2HB       HIS  32 -16.722  -7.227  -0.973
  241    HD1  HIS  32           HD1      HIS  32 -17.237  -9.355  -2.434
  242    HD2  HIS  32           HD2      HIS  32 -14.932  -6.377  -4.361
  243    HE1  HIS  32           HE1      HIS  32 -16.651 -10.263  -4.694
  244    H    ARG  33           H        ARG  33 -17.753  -3.426  -0.575
  245    HA   ARG  33           HA       ARG  33 -20.285  -4.711   0.265
  246   1HB   ARG  33          1HB       ARG  33 -18.091  -4.724   1.924
  247   2HB   ARG  33          2HB       ARG  33 -18.745  -3.162   2.335
  248   1HG   ARG  33          1HG       ARG  33 -19.617  -4.694   3.874
  249   2HG   ARG  33          2HG       ARG  33 -20.967  -4.289   2.801
  250   1HD   ARG  33          1HD       ARG  33 -21.021  -6.641   3.312
  251   2HD   ARG  33          2HD       ARG  33 -20.583  -6.456   1.613
  252    HE   ARG  33           HE       ARG  33 -18.174  -6.718   2.406
  253   1HH1  ARG  33          1HH1      ARG  33 -20.804  -8.451   4.227
  254   2HH1  ARG  33          2HH1      ARG  33 -19.714  -9.644   4.759
  255   1HH2  ARG  33          1HH2      ARG  33 -16.850  -8.285   3.231
  256   2HH2  ARG  33          2HH2      ARG  33 -17.498  -9.586   4.218
  257    H    TYR  34           H        TYR  34 -18.486  -1.650   0.888
  258    HA   TYR  34           HA       TYR  34 -20.878  -0.078   0.472
  259   1HB   TYR  34          1HB       TYR  34 -17.949   0.600   0.884
  260   2HB   TYR  34          2HB       TYR  34 -19.229   1.791   0.807
  261    HD1  TYR  34           HD1      TYR  34 -20.936   1.966   2.641
  262    HD2  TYR  34           HD2      TYR  34 -17.608  -0.759   2.842
  263    HE1  TYR  34           HE1      TYR  34 -21.229   1.791   5.105
  264    HE2  TYR  34           HE2      TYR  34 -17.898  -0.946   5.299
  265    HH   TYR  34           HH       TYR  34 -19.350  -0.421   7.126
  266   1HN   NH2  35          1H        NH2  35 -21.059   1.644  -1.112
  267   2HN   NH2  35          2H        NH2  35 -20.169   1.622  -2.622
  268   2HN   ZAB  10          H         AZO  10  10.434  14.065   2.275
  269   2HA   ZAB  10          2HA       AZO  10  12.074  13.129   0.080
  270   3HA   ZAB  10          3HA       AZO  10  13.013  13.511   1.545
  271    HG2  ZAB  10           HG2      AZO  10  10.445  11.328   0.070
  272    HD2  ZAB  10           HD2      AZO  10   9.842   9.121   1.018
  273    HE   ZAB  10           HE       AZO  10  10.666   8.478   3.260
  274    HG1  ZAB  10           HG1      AZO  10  12.716  12.247   3.607
  275    HJ2  ZAB  10           HJ2      AZO  10  13.530   6.476   5.473
  276    HK2  ZAB  10           HK2      AZO  10  14.722   4.924   3.939
  277    HL   ZAB  10           HL       AZO  10  15.554   5.724   1.744
  278    HJ1  ZAB  10           HJ1      AZO  10  13.978   9.639   2.563
  279   2HM   ZAB  10          2HM       AZO  10  15.915   9.208   0.921
  280   3HM   ZAB  10          3HM       AZO  10  16.055   7.587   0.268
  Start of MODEL    7
    1   1H    GLY   1          H         GLY   1  11.206 -15.347   1.621
    2   1HA   GLY   1          1HA       GLY   1  10.005 -15.246  -0.467
    3   2HA   GLY   1          2HA       GLY   1   8.495 -15.442   0.441
    4    HA   PRO   2           HA       PRO   2   8.882 -10.922  -0.087
    5   1HB   PRO   2          1HB       PRO   2   6.264 -10.329  -0.287
    6   2HB   PRO   2          2HB       PRO   2   7.127 -11.200  -1.579
    7   1HG   PRO   2          1HG       PRO   2   5.438 -12.415   0.648
    8   2HG   PRO   2          2HG       PRO   2   5.286 -12.686  -1.108
    9   1HD   PRO   2          1HD       PRO   2   6.734 -14.348   0.485
   10   2HD   PRO   2          2HD       PRO   2   7.226 -13.968  -1.192
   11    H    SER   3           H        SER   3   9.838 -10.745   1.987
   12    HA   SER   3           HA       SER   3   8.319 -10.798   4.451
   13   1HB   SER   3          1HB       SER   3  10.515 -10.236   5.419
   14   2HB   SER   3          2HB       SER   3  10.682 -11.523   4.221
   15    HG   SER   3           HG       SER   3  12.258 -10.138   3.708
   16    H    GLN   4           H        GLN   4   9.187  -8.643   5.889
   17    HA   GLN   4           HA       GLN   4   8.472  -6.177   4.425
   18   1HB   GLN   4          1HB       GLN   4   6.934  -5.535   6.220
   19   2HB   GLN   4          2HB       GLN   4   6.398  -7.027   5.474
   20   1HG   GLN   4          1HG       GLN   4   7.134  -8.328   7.373
   21   2HG   GLN   4          2HG       GLN   4   8.005  -6.955   8.074
   22   1HE2  GLN   4          2HE2      GLN   4   6.922  -6.290   9.924
   23   2HE2  GLN   4          1HE2      GLN   4   5.185  -6.100   9.998
   24    HA   PRO   5           HA       PRO   5  11.863  -4.658   6.861
   25   1HB   PRO   5          1HB       PRO   5  11.326  -2.002   7.212
   26   2HB   PRO   5          2HB       PRO   5  11.710  -2.689   5.609
   27   1HG   PRO   5          1HG       PRO   5   8.969  -2.120   6.771
   28   2HG   PRO   5          2HG       PRO   5   9.595  -1.678   5.155
   29   1HD   PRO   5          1HD       PRO   5   8.058  -3.878   5.551
   30   2HD   PRO   5          2HD       PRO   5   9.404  -3.888   4.379
   31    H    THR   6           H        THR   6  12.414  -3.819   9.062
   32    HA   THR   6           HA       THR   6  10.156  -4.083  10.985
   33    HB   THR   6           HB       THR   6  13.043  -4.813  11.518
   34    HG1  THR   6           HG1      THR   6  12.732  -6.229  10.023
   35   1HG2  THR   6          1HG2      THR   6  10.370  -5.637  12.736
   36   2HG2  THR   6          2HG2      THR   6  11.712  -4.803  13.542
   37   3HG2  THR   6          3HG2      THR   6  11.902  -6.487  13.055
   38    H    TYR   7           H        TYR   7  11.847  -1.657   9.730
   39    HA   TYR   7           HA       TYR   7  12.013  -0.156  12.330
   40   1HB   TYR   7          1HB       TYR   7  13.798  -0.018   9.884
   41   2HB   TYR   7          2HB       TYR   7  13.748   1.227  11.119
   42    HD1  TYR   7           HD1      TYR   7  14.994  -2.132  10.346
   43    HD2  TYR   7           HD2      TYR   7  14.444   0.863  13.411
   44    HE1  TYR   7           HE1      TYR   7  16.804  -3.156  11.696
   45    HE2  TYR   7           HE2      TYR   7  16.163  -0.224  14.803
   46    HH   TYR   7           HH       TYR   7  17.537  -2.041  15.018
   47    HA   PRO   8           HA       PRO   8   8.885   1.640   9.410
   48   1HB   PRO   8          1HB       PRO   8   6.861   2.083  11.296
   49   2HB   PRO   8          2HB       PRO   8   7.009   0.651  10.243
   50   1HG   PRO   8          1HG       PRO   8   7.889   0.969  13.091
   51   2HG   PRO   8          2HG       PRO   8   7.079  -0.432  12.314
   52   1HD   PRO   8          1HD       PRO   8   9.760  -0.411  12.764
   53   2HD   PRO   8          2HD       PRO   8   9.070  -1.144  11.284
   54    H    GLY   9           H        GLY   9   8.414   3.762   9.129
   55   1HA   GLY   9          1HA       GLY   9   8.068   5.974  10.321
   56   2HA   GLY   9          2HA       GLY   9   9.718   5.712  10.918
   57    HA   PRO  11           HA       PRO  11  14.645   8.157  -1.622
   58   1HB   PRO  11          1HB       PRO  11  13.568   5.909  -2.675
   59   2HB   PRO  11          2HB       PRO  11  15.319   6.021  -2.331
   60   1HG   PRO  11          1HG       PRO  11  13.156   4.685  -0.724
   61   2HG   PRO  11          2HG       PRO  11  14.798   4.084  -1.097
   62   1HD   PRO  11          1HD       PRO  11  14.006   5.453   1.257
   63   2HD   PRO  11          2HD       PRO  11  15.686   5.249   0.723
   64    H    VAL  12           H        VAL  12  12.318   7.926  -2.860
   65    HA   VAL  12           HA       VAL  12  10.243   8.400  -0.765
   66    HB   VAL  12           HB       VAL  12  10.279   9.729  -3.479
   67   1HG1  VAL  12          1HG1      VAL  12   8.880  10.339  -0.826
   68   2HG1  VAL  12          2HG1      VAL  12   8.821  11.368  -2.269
   69   3HG1  VAL  12          3HG1      VAL  12   8.113   9.749  -2.316
   70   1HG2  VAL  12          1HG2      VAL  12  11.452  10.776  -0.863
   71   2HG2  VAL  12          2HG2      VAL  12  12.331  10.489  -2.385
   72   3HG2  VAL  12          3HG2      VAL  12  11.123  11.767  -2.300
   73    H    GLU  13           H        GLU  13  11.019   6.560  -3.688
   74    HA   GLU  13           HA       GLU  13   8.426   5.798  -4.424
   75   1HB   GLU  13          1HB       GLU  13  10.446   5.416  -5.721
   76   2HB   GLU  13          2HB       GLU  13  11.041   4.230  -4.551
   77   1HG   GLU  13          1HG       GLU  13   9.352   2.647  -5.164
   78   2HG   GLU  13          2HG       GLU  13   8.380   3.872  -5.986
   79    H    ASP  14           H        ASP  14  10.512   4.446  -1.835
   80    HA   ASP  14           HA       ASP  14   8.758   2.298  -1.230
   81   1HB   ASP  14          1HB       ASP  14  10.112   1.704   0.447
   82   2HB   ASP  14          2HB       ASP  14  11.232   2.624  -0.539
   83    H    LEU  15           H        LEU  15   8.670   5.678  -0.322
   84    HA   LEU  15           HA       LEU  15   6.858   5.461   1.885
   85   1HB   LEU  15          1HB       LEU  15   8.635   7.325   0.950
   86   2HB   LEU  15          2HB       LEU  15   7.178   7.945   0.218
   87    HG   LEU  15           HG       LEU  15   7.616   9.026   2.237
   88   1HD1  LEU  15          1HD1      LEU  15   5.532   8.767   3.482
   89   2HD1  LEU  15          2HD1      LEU  15   5.278   7.148   2.796
   90   3HD1  LEU  15          3HD1      LEU  15   5.216   8.586   1.752
   91   1HD2  LEU  15          1HD2      LEU  15   7.516   6.395   3.769
   92   2HD2  LEU  15          2HD2      LEU  15   7.812   8.013   4.430
   93   3HD2  LEU  15          3HD2      LEU  15   8.991   7.284   3.336
   94    H    ILE  16           H        ILE  16   6.639   6.406  -1.555
   95    HA   ILE  16           HA       ILE  16   3.860   6.862  -1.690
   96    HB   ILE  16           HB       ILE  16   5.877   5.943  -3.779
   97   1HG1  ILE  16          1HG1      ILE  16   6.392   8.138  -2.852
   98   2HG1  ILE  16          2HG1      ILE  16   5.908   8.258  -4.526
   99   1HG2  ILE  16          1HG2      ILE  16   4.270   6.794  -5.495
  100   2HG2  ILE  16          2HG2      ILE  16   3.773   5.298  -4.694
  101   3HG2  ILE  16          3HG2      ILE  16   3.015   6.834  -4.241
  102   1HD1  ILE  16          1HD1      ILE  16   5.017  10.093  -3.161
  103   2HD1  ILE  16          2HD1      ILE  16   3.696   9.127  -3.834
  104   3HD1  ILE  16          3HD1      ILE  16   4.158   8.959  -2.121
  105    H    ARG  17           H        ARG  17   5.656   3.778  -2.332
  106    HA   ARG  17           HA       ARG  17   3.203   2.371  -2.836
  107   1HB   ARG  17          1HB       ARG  17   4.454   0.314  -2.732
  108   2HB   ARG  17          2HB       ARG  17   5.369   1.530  -3.635
  109   1HG   ARG  17          1HG       ARG  17   6.628   2.004  -1.485
  110   2HG   ARG  17          2HG       ARG  17   5.880   0.564  -0.787
  111   1HD   ARG  17          1HD       ARG  17   7.693   0.655  -3.241
  112   2HD   ARG  17          2HD       ARG  17   8.156   0.155  -1.609
  113    HE   ARG  17           HE       ARG  17   5.959  -1.254  -3.034
  114   1HH1  ARG  17          1HH1      ARG  17   9.374  -1.401  -2.067
  115   2HH1  ARG  17          2HH1      ARG  17   9.429  -3.128  -2.051
  116   1HH2  ARG  17          1HH2      ARG  17   5.973  -3.524  -2.858
  117   2HH2  ARG  17          2HH2      ARG  17   7.451  -4.349  -2.437
  118    H    PHE  18           H        PHE  18   4.998   2.756   0.225
  119    HA   PHE  18           HA       PHE  18   3.316   1.102   1.781
  120   1HB   PHE  18          1HB       PHE  18   5.491   1.934   2.468
  121   2HB   PHE  18          2HB       PHE  18   4.949   3.600   2.386
  122    HD1  PHE  18           HD1      PHE  18   3.454   4.552   4.127
  123    HD2  PHE  18           HD2      PHE  18   5.111   0.587   4.425
  124    HE1  PHE  18           HE1      PHE  18   3.130   4.596   6.594
  125    HE2  PHE  18           HE2      PHE  18   4.807   0.638   6.878
  126    HZ   PHE  18           HZ       PHE  18   3.845   2.653   7.967
  127    H    TYR  19           H        TYR  19   2.874   4.469   0.694
  128    HA   TYR  19           HA       TYR  19   0.633   4.962   2.489
  129   1HB   TYR  19          1HB       TYR  19   2.214   6.656   1.324
  130   2HB   TYR  19          2HB       TYR  19   1.231   6.454  -0.100
  131    HD1  TYR  19           HD1      TYR  19  -1.275   7.053  -0.003
  132    HD2  TYR  19           HD2      TYR  19   1.507   8.037   3.156
  133    HE1  TYR  19           HE1      TYR  19  -2.814   8.804   0.801
  134    HE2  TYR  19           HE2      TYR  19  -0.051   9.785   3.969
  135    HH   TYR  19           HH       TYR  19  -3.063  10.119   3.447
  136    H    ASN  20           H        ASN  20   1.030   4.186  -0.900
  137    HA   ASN  20           HA       ASN  20  -1.755   4.202  -1.640
  138   1HB   ASN  20          1HB       ASN  20   0.166   4.512  -3.207
  139   2HB   ASN  20          2HB       ASN  20   0.593   2.809  -2.943
  140   1HD2  ASN  20          2HD2      ASN  20  -0.326   1.333  -4.357
  141   2HD2  ASN  20          1HD2      ASN  20  -1.668   1.716  -5.416
  142    H    ASP  21           H        ASP  21   0.409   1.586  -0.448
  143    HA   ASP  21           HA       ASP  21  -1.246  -0.611  -1.117
  144   1HB   ASP  21          1HB       ASP  21   0.959  -0.092   0.859
  145   2HB   ASP  21          2HB       ASP  21  -0.084  -1.481   1.146
  146    H    LEU  22           H        LEU  22  -1.235   1.549   1.712
  147    HA   LEU  22           HA       LEU  22  -3.318   0.256   3.165
  148   1HB   LEU  22          1HB       LEU  22  -2.466   3.181   3.116
  149   2HB   LEU  22          2HB       LEU  22  -3.547   2.483   4.312
  150    HG   LEU  22           HG       LEU  22  -0.731   1.417   3.933
  151   1HD1  LEU  22          1HD1      LEU  22  -0.542   3.787   4.437
  152   2HD1  LEU  22          2HD1      LEU  22  -0.104   2.852   5.861
  153   3HD1  LEU  22          3HD1      LEU  22  -1.695   3.637   5.786
  154   1HD2  LEU  22          1HD2      LEU  22  -1.059   0.538   6.184
  155   2HD2  LEU  22          2HD2      LEU  22  -2.345  -0.035   5.142
  156   3HD2  LEU  22          3HD2      LEU  22  -2.687   1.281   6.274
  157    H    GLN  23           H        GLN  23  -3.404   2.243   0.283
  158    HA   GLN  23           HA       GLN  23  -6.220   3.007   0.631
  159   1HB   GLN  23          1HB       GLN  23  -4.556   3.133  -1.946
  160   2HB   GLN  23          2HB       GLN  23  -6.122   3.862  -1.644
  161   1HG   GLN  23          1HG       GLN  23  -3.484   4.636  -0.372
  162   2HG   GLN  23          2HG       GLN  23  -4.472   5.584  -1.494
  163   1HE2  GLN  23          2HE2      GLN  23  -3.575   5.693   1.590
  164   2HE2  GLN  23          1HE2      GLN  23  -5.085   6.285   2.307
  165    H    GLN  24           H        GLN  24  -4.259   0.667  -1.243
  166    HA   GLN  24           HA       GLN  24  -6.398  -0.533  -2.617
  167   1HB   GLN  24          1HB       GLN  24  -3.927  -0.825  -3.062
  168   2HB   GLN  24          2HB       GLN  24  -3.891  -1.986  -1.733
  169   1HG   GLN  24          1HG       GLN  24  -5.570  -3.387  -2.820
  170   2HG   GLN  24          2HG       GLN  24  -5.817  -2.188  -4.094
  171   1HE2  GLN  24          2HE2      GLN  24  -3.593  -1.577  -5.230
  172   2HE2  GLN  24          1HE2      GLN  24  -2.712  -3.008  -5.789
  173    H    TYR  25           H        TYR  25  -5.050  -1.193   0.568
  174    HA   TYR  25           HA       TYR  25  -6.628  -3.477   1.171
  175   1HB   TYR  25          1HB       TYR  25  -4.608  -2.582   2.443
  176   2HB   TYR  25          2HB       TYR  25  -5.684  -1.392   3.186
  177    HD1  TYR  25           HD1      TYR  25  -6.712  -2.002   5.232
  178    HD2  TYR  25           HD2      TYR  25  -5.470  -5.099   2.502
  179    HE1  TYR  25           HE1      TYR  25  -7.425  -3.735   6.863
  180    HE2  TYR  25           HE2      TYR  25  -6.217  -6.824   4.104
  181    HH   TYR  25           HH       TYR  25  -6.696  -7.128   6.395
  182    H    LEU  26           H        LEU  26  -7.674  -0.197   0.933
  183    HA   LEU  26           HA       LEU  26 -10.223  -0.903   2.243
  184   1HB   LEU  26          1HB       LEU  26  -9.137   1.799   1.456
  185   2HB   LEU  26          2HB       LEU  26 -10.699   1.523   2.236
  186    HG   LEU  26           HG       LEU  26  -7.996   0.806   3.442
  187   1HD1  LEU  26          1HD1      LEU  26  -9.880   3.099   4.133
  188   2HD1  LEU  26          2HD1      LEU  26  -8.327   3.247   3.246
  189   3HD1  LEU  26          3HD1      LEU  26  -8.344   2.716   4.928
  190   1HD2  LEU  26          1HD2      LEU  26 -10.801   0.658   4.595
  191   2HD2  LEU  26          2HD2      LEU  26  -9.310   0.580   5.568
  192   3HD2  LEU  26          3HD2      LEU  26  -9.639  -0.665   4.372
  193    H    ASN  27           H        ASN  27  -8.800  -0.386  -0.728
  194    HA   ASN  27           HA       ASN  27 -11.276  -0.108  -2.184
  195   1HB   ASN  27          1HB       ASN  27  -8.810   0.905  -2.560
  196   2HB   ASN  27          2HB       ASN  27  -8.544  -0.615  -3.427
  197   1HD2  ASN  27          2HD2      ASN  27  -8.232   1.814  -4.699
  198   2HD2  ASN  27          1HD2      ASN  27  -9.708   2.168  -5.615
  199    H    VAL  28           H        VAL  28  -9.431  -2.751  -1.231
  200    HA   VAL  28           HA       VAL  28 -10.893  -4.448  -3.183
  201    HB   VAL  28           HB       VAL  28  -8.208  -4.869  -1.783
  202   1HG1  VAL  28          1HG1      VAL  28  -9.547  -6.649  -3.879
  203   2HG1  VAL  28          2HG1      VAL  28  -7.865  -6.817  -3.307
  204   3HG1  VAL  28          3HG1      VAL  28  -9.196  -7.075  -2.187
  205   1HG2  VAL  28          1HG2      VAL  28  -7.231  -4.682  -4.078
  206   2HG2  VAL  28          2HG2      VAL  28  -8.841  -4.289  -4.719
  207   3HG2  VAL  28          3HG2      VAL  28  -8.026  -3.191  -3.582
  208    H    VAL  29           H        VAL  29 -10.645  -3.657   0.040
  209    HA   VAL  29           HA       VAL  29 -12.056  -6.224   0.744
  210    HB   VAL  29           HB       VAL  29 -10.729  -4.283   2.631
  211   1HG1  VAL  29          1HG1      VAL  29 -12.549  -5.693   3.627
  212   2HG1  VAL  29          2HG1      VAL  29 -11.726  -7.145   3.033
  213   3HG1  VAL  29          3HG1      VAL  29 -10.950  -6.123   4.253
  214   1HG2  VAL  29          1HG2      VAL  29  -8.976  -6.041   2.854
  215   2HG2  VAL  29          2HG2      VAL  29  -9.708  -6.909   1.481
  216   3HG2  VAL  29          3HG2      VAL  29  -9.003  -5.283   1.264
  217    H    THR  30           H        THR  30 -12.264  -2.786   1.639
  218    HA   THR  30           HA       THR  30 -14.988  -3.125   2.401
  219    HB   THR  30           HB       THR  30 -14.712  -0.393   1.740
  220    HG1  THR  30           HG1      THR  30 -12.502  -0.540   1.679
  221   1HG2  THR  30          1HG2      THR  30 -15.902  -1.349   3.727
  222   2HG2  THR  30          2HG2      THR  30 -14.815  -0.007   4.119
  223   3HG2  THR  30          3HG2      THR  30 -14.332  -1.671   4.466
  224    H    ARG  31           H        ARG  31 -13.572  -2.206  -0.723
  225    HA   ARG  31           HA       ARG  31 -16.076  -1.572  -1.971
  226   1HB   ARG  31          1HB       ARG  31 -13.575  -1.152  -2.715
  227   2HB   ARG  31          2HB       ARG  31 -13.702  -2.777  -3.395
  228   1HG   ARG  31          1HG       ARG  31 -14.051  -1.297  -5.161
  229   2HG   ARG  31          2HG       ARG  31 -15.657  -1.922  -4.807
  230   1HD   ARG  31          1HD       ARG  31 -16.259   0.151  -3.656
  231   2HD   ARG  31          2HD       ARG  31 -14.586   0.726  -3.734
  232    HE   ARG  31           HE       ARG  31 -14.705   0.897  -6.103
  233   1HH1  ARG  31          1HH1      ARG  31 -17.887   0.850  -4.450
  234   2HH1  ARG  31          2HH1      ARG  31 -18.730   1.514  -5.806
  235   1HH2  ARG  31          1HH2      ARG  31 -15.909   1.732  -7.939
  236   2HH2  ARG  31          2HH2      ARG  31 -17.607   2.017  -7.733
  237    H    HIS  32           H        HIS  32 -14.903  -4.573  -0.880
  238    HA   HIS  32           HA       HIS  32 -16.676  -6.080  -2.696
  239   1HB   HIS  32          1HB       HIS  32 -14.005  -6.454  -2.439
  240   2HB   HIS  32          2HB       HIS  32 -14.585  -7.555  -1.190
  241    HD1  HIS  32           HD1      HIS  32 -16.368  -9.533  -2.186
  242    HD2  HIS  32           HD2      HIS  32 -14.514  -6.941  -4.954
  243    HE1  HIS  32           HE1      HIS  32 -16.921 -10.436  -4.487
  244    H    ARG  33           H        ARG  33 -16.859  -4.725   0.255
  245    HA   ARG  33           HA       ARG  33 -18.653  -6.865   1.194
  246   1HB   ARG  33          1HB       ARG  33 -16.387  -7.086   2.390
  247   2HB   ARG  33          2HB       ARG  33 -16.703  -5.518   3.110
  248   1HG   ARG  33          1HG       ARG  33 -17.389  -7.192   4.698
  249   2HG   ARG  33          2HG       ARG  33 -18.850  -6.439   4.062
  250   1HD   ARG  33          1HD       ARG  33 -18.820  -8.504   2.377
  251   2HD   ARG  33          2HD       ARG  33 -17.732  -9.214   3.558
  252    HE   ARG  33           HE       ARG  33 -20.594  -8.577   3.795
  253   1HH1  ARG  33          1HH1      ARG  33 -17.667  -9.723   5.526
  254   2HH1  ARG  33          2HH1      ARG  33 -18.570 -10.302   6.871
  255   1HH2  ARG  33          1HH2      ARG  33 -21.754  -9.602   5.591
  256   2HH2  ARG  33          2HH2      ARG  33 -20.843 -10.101   6.961
  257    H    TYR  34           H        TYR  34 -17.548  -3.473   1.844
  258    HA   TYR  34           HA       TYR  34 -20.212  -2.826   2.938
  259   1HB   TYR  34          1HB       TYR  34 -18.220  -1.810   3.951
  260   2HB   TYR  34          2HB       TYR  34 -17.709  -1.193   2.373
  261    HD1  TYR  34           HD1      TYR  34 -17.897   1.124   2.225
  262    HD2  TYR  34           HD2      TYR  34 -20.950  -1.083   4.360
  263    HE1  TYR  34           HE1      TYR  34 -19.104   3.214   2.652
  264    HE2  TYR  34           HE2      TYR  34 -22.179   1.022   4.753
  265    HH   TYR  34           HH       TYR  34 -20.830   4.182   3.782
  266   1HN   NH2  35          1H        NH2  35 -18.208  -2.474   0.007
  267   2HN   NH2  35          2H        NH2  35 -19.558  -2.231  -1.062
  268   2HN   ZAB  10          H         AZO  10  11.400   6.249   9.522
  269   2HA   ZAB  10          2HA       AZO  10  11.567   5.871   6.746
  270   3HA   ZAB  10          3HA       AZO  10  10.808   7.455   6.958
  271    HG2  ZAB  10           HG2      AZO  10  13.676   5.607   8.608
  272    HD2  ZAB  10           HD2      AZO  10  15.942   6.590   8.824
  273    HE   ZAB  10           HE       AZO  10  16.400   8.856   7.927
  274    HG1  ZAB  10           HG1      AZO  10  12.308   9.185   6.631
  275    HJ2  ZAB  10           HJ2      AZO  10  17.869  11.508   5.446
  276    HK2  ZAB  10           HK2      AZO  10  19.214  10.532   3.624
  277    HL   ZAB  10           HL       AZO  10  18.281   8.715   2.205
  278    HJ1  ZAB  10           HJ1      AZO  10  14.594   8.899   4.433
  279   2HM   ZAB  10          2HM       AZO  10  16.590   6.859   2.149
  280   3HM   ZAB  10          3HM       AZO  10  15.028   7.047   2.949
  Start of MODEL    8
    1   1H    GLY   1          H         GLY   1  -0.165  -6.408  14.745
    2   1HA   GLY   1          1HA       GLY   1   0.178  -7.850  12.182
    3   2HA   GLY   1          2HA       GLY   1  -0.332  -6.149  12.295
    4    HA   PRO   2           HA       PRO   2   4.408  -6.572  12.670
    5   1HB   PRO   2          1HB       PRO   2   5.355  -6.716  10.123
    6   2HB   PRO   2          2HB       PRO   2   4.782  -8.176  10.986
    7   1HG   PRO   2          1HG       PRO   2   3.233  -6.445   9.022
    8   2HG   PRO   2          2HG       PRO   2   3.423  -8.230   9.002
    9   1HD   PRO   2          1HD       PRO   2   1.250  -6.971  10.108
   10   2HD   PRO   2          2HD       PRO   2   1.906  -8.495  10.777
   11    H    SER   3           H        SER   3   6.021  -4.848  11.597
   12    HA   SER   3           HA       SER   3   4.971  -2.637  10.212
   13   1HB   SER   3          1HB       SER   3   5.184  -0.904  11.988
   14   2HB   SER   3          2HB       SER   3   3.806  -1.982  12.194
   15    HG   SER   3           HG       SER   3   6.235  -1.851  13.615
   16    H    GLN   4           H        GLN   4   6.748  -0.868  10.086
   17    HA   GLN   4           HA       GLN   4   9.464  -1.910  10.671
   18   1HB   GLN   4          1HB       GLN   4   8.321  -0.995   7.983
   19   2HB   GLN   4          2HB       GLN   4  10.044  -1.106   8.299
   20   1HG   GLN   4          1HG       GLN   4   9.816  -3.518   8.832
   21   2HG   GLN   4          2HG       GLN   4   8.091  -3.438   8.515
   22   1HE2  GLN   4          2HE2      GLN   4  11.273  -3.014   6.896
   23   2HE2  GLN   4          1HE2      GLN   4  10.604  -3.450   5.320
   24    HA   PRO   5           HA       PRO   5  10.151   2.248  11.972
   25   1HB   PRO   5          1HB       PRO   5  12.807   2.702  11.398
   26   2HB   PRO   5          2HB       PRO   5  12.256   1.561  12.660
   27   1HG   PRO   5          1HG       PRO   5  13.014   0.914   9.796
   28   2HG   PRO   5          2HG       PRO   5  13.603   0.132  11.301
   29   1HD   PRO   5          1HD       PRO   5  11.579  -0.945   9.880
   30   2HD   PRO   5          2HD       PRO   5  11.510  -0.941  11.666
   31    H    THR   6           H        THR   6  10.799   4.484  11.253
   32    HA   THR   6           HA       THR   6  10.065   4.885   8.432
   33    HB   THR   6           HB       THR   6  10.377   7.021  10.525
   34    HG1  THR   6           HG1      THR   6   8.225   5.201  10.218
   35   1HG2  THR   6          1HG2      THR   6   8.514   6.696   8.138
   36   2HG2  THR   6          2HG2      THR   6   9.865   7.844   8.287
   37   3HG2  THR   6          3HG2      THR   6   8.436   8.019   9.304
   38    H    TYR   7           H        TYR   7  11.249   6.619   7.238
   39    HA   TYR   7           HA       TYR   7  14.072   6.978   7.978
   40   1HB   TYR   7          1HB       TYR   7  12.928   5.639   5.508
   41   2HB   TYR   7          2HB       TYR   7  14.406   6.562   5.373
   42    HD1  TYR   7           HD1      TYR   7  12.879   3.550   6.903
   43    HD2  TYR   7           HD2      TYR   7  16.491   5.873   6.442
   44    HE1  TYR   7           HE1      TYR   7  14.198   1.674   7.815
   45    HE2  TYR   7           HE2      TYR   7  17.817   4.010   7.338
   46    HH   TYR   7           HH       TYR   7  16.480   0.839   7.789
   47    HA   PRO   8           HA       PRO   8  13.202  11.080   6.693
   48   1HB   PRO   8          1HB       PRO   8  15.613  11.899   5.512
   49   2HB   PRO   8          2HB       PRO   8  15.258  11.822   7.231
   50   1HG   PRO   8          1HG       PRO   8  16.833   9.924   5.554
   51   2HG   PRO   8          2HG       PRO   8  17.015  10.303   7.280
   52   1HD   PRO   8          1HD       PRO   8  15.803   8.023   6.235
   53   2HD   PRO   8          2HD       PRO   8  15.546   8.653   7.883
   54    H    GLY   9           H        GLY   9  11.609  10.265   5.210
   55   1HA   GLY   9          1HA       GLY   9  12.100  10.520   2.326
   56   2HA   GLY   9          2HA       GLY   9  10.827   9.557   3.113
   57    HA   PRO  11           HA       PRO  11  13.336   7.350  -1.281
   58   1HB   PRO  11          1HB       PRO  11  12.016   6.808   1.170
   59   2HB   PRO  11          2HB       PRO  11  13.536   6.079   0.588
   60   1HG   PRO  11          1HG       PRO  11  13.052   8.301   2.531
   61   2HG   PRO  11          2HG       PRO  11  14.364   7.092   2.531
   62   1HD   PRO  11          1HD       PRO  11  14.649   9.699   1.702
   63   2HD   PRO  11          2HD       PRO  11  15.647   8.370   1.036
   64    H    VAL  12           H        VAL  12  11.480   7.435  -2.342
   65    HA   VAL  12           HA       VAL  12   9.134   8.886  -1.343
   66    HB   VAL  12           HB       VAL  12  10.505   9.568  -3.984
   67   1HG1  VAL  12          1HG1      VAL  12   8.510  11.069  -4.389
   68   2HG1  VAL  12          2HG1      VAL  12   8.141   9.348  -4.518
   69   3HG1  VAL  12          3HG1      VAL  12   7.679  10.240  -3.060
   70   1HG2  VAL  12          1HG2      VAL  12  10.316  11.897  -3.158
   71   2HG2  VAL  12          2HG2      VAL  12   9.611  11.299  -1.634
   72   3HG2  VAL  12          3HG2      VAL  12  11.284  10.892  -2.085
   73    H    GLU  13           H        GLU  13  10.655   6.811  -3.923
   74    HA   GLU  13           HA       GLU  13   8.263   5.858  -5.043
   75   1HB   GLU  13          1HB       GLU  13  10.636   5.580  -5.881
   76   2HB   GLU  13          2HB       GLU  13  10.894   4.336  -4.651
   77   1HG   GLU  13          1HG       GLU  13   9.117   2.955  -5.597
   78   2HG   GLU  13          2HG       GLU  13   8.673   4.243  -6.720
   79    H    ASP  14           H        ASP  14  10.133   4.666  -2.282
   80    HA   ASP  14           HA       ASP  14   8.513   2.374  -1.730
   81   1HB   ASP  14          1HB       ASP  14   9.811   2.139   0.232
   82   2HB   ASP  14          2HB       ASP  14  10.912   2.661  -1.045
   83    H    LEU  15           H        LEU  15   8.602   5.713  -0.654
   84    HA   LEU  15           HA       LEU  15   6.671   5.585   1.412
   85   1HB   LEU  15          1HB       LEU  15   8.369   7.419   0.810
   86   2HB   LEU  15          2HB       LEU  15   7.181   8.025  -0.344
   87    HG   LEU  15           HG       LEU  15   6.564   7.660   2.613
   88   1HD1  LEU  15          1HD1      LEU  15   8.502   9.167   2.361
   89   2HD1  LEU  15          2HD1      LEU  15   7.071  10.054   2.886
   90   3HD1  LEU  15          3HD1      LEU  15   7.597  10.152   1.190
   91   1HD2  LEU  15          1HD2      LEU  15   5.260   9.346   0.428
   92   2HD2  LEU  15          2HD2      LEU  15   4.852   9.428   2.152
   93   3HD2  LEU  15          3HD2      LEU  15   4.541   7.951   1.252
   94    H    ILE  16           H        ILE  16   6.247   6.565  -2.043
   95    HA   ILE  16           HA       ILE  16   3.449   6.865  -1.928
   96    HB   ILE  16           HB       ILE  16   5.115   5.992  -4.335
   97   1HG1  ILE  16          1HG1      ILE  16   6.024   8.090  -3.807
   98   2HG1  ILE  16          2HG1      ILE  16   4.865   8.426  -5.041
   99   1HG2  ILE  16          1HG2      ILE  16   2.730   5.582  -4.746
  100   2HG2  ILE  16          2HG2      ILE  16   2.310   7.206  -4.173
  101   3HG2  ILE  16          3HG2      ILE  16   3.237   6.983  -5.668
  102   1HD1  ILE  16          1HD1      ILE  16   3.254   9.218  -3.283
  103   2HD1  ILE  16          2HD1      ILE  16   4.514   8.919  -2.056
  104   3HD1  ILE  16          3HD1      ILE  16   4.791  10.107  -3.324
  105    H    ARG  17           H        ARG  17   5.320   3.884  -2.894
  106    HA   ARG  17           HA       ARG  17   2.844   2.453  -3.210
  107   1HB   ARG  17          1HB       ARG  17   4.109   0.410  -3.412
  108   2HB   ARG  17          2HB       ARG  17   4.897   1.687  -4.326
  109   1HG   ARG  17          1HG       ARG  17   6.426   2.017  -2.300
  110   2HG   ARG  17          2HG       ARG  17   5.716   0.544  -1.635
  111   1HD   ARG  17          1HD       ARG  17   6.448  -0.599  -3.824
  112   2HD   ARG  17          2HD       ARG  17   7.363   0.870  -4.176
  113    HE   ARG  17           HE       ARG  17   8.955   0.208  -2.684
  114   1HH1  ARG  17          1HH1      ARG  17   6.098  -1.884  -2.250
  115   2HH1  ARG  17          2HH1      ARG  17   6.724  -2.665  -0.834
  116   1HH2  ARG  17          1HH2      ARG  17   9.810  -0.888  -0.776
  117   2HH2  ARG  17          2HH2      ARG  17   8.909  -2.209  -0.105
  118    H    PHE  18           H        PHE  18   4.988   2.699  -0.353
  119    HA   PHE  18           HA       PHE  18   3.569   0.854   1.248
  120   1HB   PHE  18          1HB       PHE  18   5.778   1.811   1.764
  121   2HB   PHE  18          2HB       PHE  18   5.078   3.415   1.934
  122    HD1  PHE  18           HD1      PHE  18   3.567   3.939   3.891
  123    HD2  PHE  18           HD2      PHE  18   5.785   0.240   3.572
  124    HE1  PHE  18           HE1      PHE  18   3.254   3.534   6.312
  125    HE2  PHE  18           HE2      PHE  18   5.506  -0.125   6.004
  126    HZ   PHE  18           HZ       PHE  18   4.195   1.499   7.367
  127    H    TYR  19           H        TYR  19   2.958   4.271   0.478
  128    HA   TYR  19           HA       TYR  19   0.870   4.620   2.433
  129   1HB   TYR  19          1HB       TYR  19   2.317   6.404   1.320
  130   2HB   TYR  19          2HB       TYR  19   1.338   6.227  -0.119
  131    HD1  TYR  19           HD1      TYR  19  -0.577   7.628  -0.322
  132    HD2  TYR  19           HD2      TYR  19   0.999   6.714   3.597
  133    HE1  TYR  19           HE1      TYR  19  -2.168   9.224   0.681
  134    HE2  TYR  19           HE2      TYR  19  -0.601   8.302   4.614
  135    HH   TYR  19           HH       TYR  19  -1.830  10.352   3.857
  136    H    ASN  20           H        ASN  20   0.898   4.245  -1.083
  137    HA   ASN  20           HA       ASN  20  -1.912   4.118  -1.505
  138   1HB   ASN  20          1HB       ASN  20  -0.308   4.418  -3.340
  139   2HB   ASN  20          2HB       ASN  20   0.268   2.753  -3.118
  140   1HD2  ASN  20          2HD2      ASN  20  -0.604   1.383  -4.672
  141   2HD2  ASN  20          1HD2      ASN  20  -2.202   1.583  -5.358
  142    H    ASP  21           H        ASP  21   0.358   1.610  -0.468
  143    HA   ASP  21           HA       ASP  21  -1.247  -0.644  -0.909
  144   1HB   ASP  21          1HB       ASP  21   1.222  -0.114   0.434
  145   2HB   ASP  21          2HB       ASP  21   0.202  -0.855   1.635
  146    H    LEU  22           H        LEU  22  -1.275   1.686   1.769
  147    HA   LEU  22           HA       LEU  22  -3.221   0.280   3.386
  148   1HB   LEU  22          1HB       LEU  22  -2.448   3.227   3.289
  149   2HB   LEU  22          2HB       LEU  22  -3.563   2.552   4.458
  150    HG   LEU  22           HG       LEU  22  -0.694   1.569   4.226
  151   1HD1  LEU  22          1HD1      LEU  22  -1.861   3.682   6.093
  152   2HD1  LEU  22          2HD1      LEU  22  -0.747   3.994   4.724
  153   3HD1  LEU  22          3HD1      LEU  22  -0.199   3.054   6.111
  154   1HD2  LEU  22          1HD2      LEU  22  -2.811   1.365   6.437
  155   2HD2  LEU  22          2HD2      LEU  22  -1.143   0.768   6.535
  156   3HD2  LEU  22          3HD2      LEU  22  -2.255   0.031   5.392
  157    H    GLN  23           H        GLN  23  -3.404   2.619   0.714
  158    HA   GLN  23           HA       GLN  23  -6.270   3.107   1.061
  159   1HB   GLN  23          1HB       GLN  23  -4.366   3.698  -1.251
  160   2HB   GLN  23          2HB       GLN  23  -6.107   3.911  -1.354
  161   1HG   GLN  23          1HG       GLN  23  -5.435   6.029  -0.755
  162   2HG   GLN  23          2HG       GLN  23  -5.892   5.363   0.807
  163   1HE2  GLN  23          2HE2      GLN  23  -4.180   5.054   2.395
  164   2HE2  GLN  23          1HE2      GLN  23  -2.510   5.389   1.960
  165    H    GLN  24           H        GLN  24  -4.223   0.930  -0.939
  166    HA   GLN  24           HA       GLN  24  -6.317  -0.284  -2.372
  167   1HB   GLN  24          1HB       GLN  24  -3.916  -0.494  -2.935
  168   2HB   GLN  24          2HB       GLN  24  -3.687  -1.537  -1.524
  169   1HG   GLN  24          1HG       GLN  24  -5.140  -3.244  -2.442
  170   2HG   GLN  24          2HG       GLN  24  -5.717  -2.149  -3.702
  171   1HE2  GLN  24          2HE2      GLN  24  -2.893  -4.198  -2.727
  172   2HE2  GLN  24          1HE2      GLN  24  -2.378  -4.380  -4.367
  173    H    TYR  25           H        TYR  25  -4.846  -1.130   0.718
  174    HA   TYR  25           HA       TYR  25  -6.457  -3.419   1.325
  175   1HB   TYR  25          1HB       TYR  25  -4.406  -2.527   2.640
  176   2HB   TYR  25          2HB       TYR  25  -5.510  -1.379   3.390
  177    HD1  TYR  25           HD1      TYR  25  -6.995  -2.132   5.217
  178    HD2  TYR  25           HD2      TYR  25  -4.770  -4.958   2.853
  179    HE1  TYR  25           HE1      TYR  25  -7.630  -3.926   6.796
  180    HE2  TYR  25           HE2      TYR  25  -5.422  -6.773   4.420
  181    HH   TYR  25           HH       TYR  25  -7.473  -6.289   7.270
  182    H    LEU  26           H        LEU  26  -7.304   0.030   1.632
  183    HA   LEU  26           HA       LEU  26  -9.833  -0.862   2.816
  184   1HB   LEU  26          1HB       LEU  26  -8.828   1.955   2.268
  185   2HB   LEU  26          2HB       LEU  26 -10.288   1.563   3.183
  186    HG   LEU  26           HG       LEU  26  -7.491   0.713   3.993
  187   1HD1  LEU  26          1HD1      LEU  26  -7.814   3.197   4.004
  188   2HD1  LEU  26          2HD1      LEU  26  -7.539   2.527   5.621
  189   3HD1  LEU  26          3HD1      LEU  26  -9.179   2.987   5.110
  190   1HD2  LEU  26          1HD2      LEU  26 -10.058   0.642   5.594
  191   2HD2  LEU  26          2HD2      LEU  26  -8.438   0.208   6.175
  192   3HD2  LEU  26          3HD2      LEU  26  -9.203  -0.770   4.925
  193    H    ASN  27           H        ASN  27  -8.806  -0.562  -0.301
  194    HA   ASN  27           HA       ASN  27 -11.490   0.186  -1.246
  195   1HB   ASN  27          1HB       ASN  27  -8.640   0.271  -2.289
  196   2HB   ASN  27          2HB       ASN  27  -9.911   0.024  -3.422
  197   1HD2  ASN  27          2HD2      ASN  27  -8.437   2.285  -1.273
  198   2HD2  ASN  27          1HD2      ASN  27  -9.309   3.723  -1.751
  199    H    VAL  28           H        VAL  28  -9.146  -2.424  -1.156
  200    HA   VAL  28           HA       VAL  28 -10.763  -3.987  -3.105
  201    HB   VAL  28           HB       VAL  28  -8.295  -4.696  -1.449
  202   1HG1  VAL  28          1HG1      VAL  28  -9.675  -6.304  -3.651
  203   2HG1  VAL  28          2HG1      VAL  28  -8.084  -6.674  -2.944
  204   3HG1  VAL  28          3HG1      VAL  28  -9.531  -6.770  -1.940
  205   1HG2  VAL  28          1HG2      VAL  28  -7.112  -4.538  -3.595
  206   2HG2  VAL  28          2HG2      VAL  28  -8.625  -4.128  -4.436
  207   3HG2  VAL  28          3HG2      VAL  28  -7.921  -3.004  -3.259
  208    H    VAL  29           H        VAL  29 -10.365  -3.563   0.349
  209    HA   VAL  29           HA       VAL  29 -11.863  -5.934   1.032
  210    HB   VAL  29           HB       VAL  29 -10.728  -3.585   2.522
  211   1HG1  VAL  29          1HG1      VAL  29 -12.798  -4.032   3.765
  212   2HG1  VAL  29          2HG1      VAL  29 -12.411  -5.763   3.803
  213   3HG1  VAL  29          3HG1      VAL  29 -11.389  -4.607   4.670
  214   1HG2  VAL  29          1HG2      VAL  29 -10.243  -6.592   2.699
  215   2HG2  VAL  29          2HG2      VAL  29  -9.237  -5.432   1.801
  216   3HG2  VAL  29          3HG2      VAL  29  -9.341  -5.324   3.564
  217    H    THR  30           H        THR  30 -12.738  -2.502   0.607
  218    HA   THR  30           HA       THR  30 -15.437  -2.910   1.462
  219    HB   THR  30           HB       THR  30 -15.655  -0.686   0.335
  220    HG1  THR  30           HG1      THR  30 -13.122   0.055   0.382
  221   1HG2  THR  30          1HG2      THR  30 -13.566  -0.910   2.571
  222   2HG2  THR  30          2HG2      THR  30 -15.333  -0.840   2.792
  223   3HG2  THR  30          3HG2      THR  30 -14.471   0.567   2.157
  224    H    ARG  31           H        ARG  31 -13.835  -2.483  -1.695
  225    HA   ARG  31           HA       ARG  31 -16.245  -2.697  -3.168
  226   1HB   ARG  31          1HB       ARG  31 -13.406  -3.301  -4.026
  227   2HB   ARG  31          2HB       ARG  31 -14.778  -3.292  -5.137
  228   1HG   ARG  31          1HG       ARG  31 -15.281  -0.933  -4.611
  229   2HG   ARG  31          2HG       ARG  31 -14.008  -0.892  -3.406
  230   1HD   ARG  31          1HD       ARG  31 -13.131   0.129  -5.383
  231   2HD   ARG  31          2HD       ARG  31 -12.335  -1.434  -5.201
  232    HE   ARG  31           HE       ARG  31 -14.730  -1.045  -6.967
  233   1HH1  ARG  31          1HH1      ARG  31 -11.310  -2.012  -6.755
  234   2HH1  ARG  31          2HH1      ARG  31 -11.349  -3.003  -8.154
  235   1HH2  ARG  31          1HH2      ARG  31 -14.795  -2.244  -8.801
  236   2HH2  ARG  31          2HH2      ARG  31 -13.371  -2.952  -9.513
  237    H    HIS  32           H        HIS  32 -14.892  -5.245  -1.381
  238    HA   HIS  32           HA       HIS  32 -16.315  -7.286  -3.004
  239   1HB   HIS  32          1HB       HIS  32 -14.023  -7.438  -1.011
  240   2HB   HIS  32          2HB       HIS  32 -14.908  -8.837  -1.580
  241    HD1  HIS  32           HD1      HIS  32 -12.136  -9.277  -2.282
  242    HD2  HIS  32           HD2      HIS  32 -14.635  -6.858  -4.662
  243    HE1  HIS  32           HE1      HIS  32 -11.028  -9.112  -4.560
  244    H    ARG  33           H        ARG  33 -16.907  -5.236  -0.437
  245    HA   ARG  33           HA       ARG  33 -18.790  -7.162   0.841
  246   1HB   ARG  33          1HB       ARG  33 -16.850  -5.277   2.244
  247   2HB   ARG  33          2HB       ARG  33 -18.212  -6.032   3.055
  248   1HG   ARG  33          1HG       ARG  33 -16.001  -7.607   1.666
  249   2HG   ARG  33          2HG       ARG  33 -15.980  -7.178   3.376
  250   1HD   ARG  33          1HD       ARG  33 -18.146  -8.853   2.044
  251   2HD   ARG  33          2HD       ARG  33 -16.761  -9.505   2.920
  252    HE   ARG  33           HE       ARG  33 -17.942  -7.649   4.638
  253   1HH1  ARG  33          1HH1      ARG  33 -19.118 -10.649   3.104
  254   2HH1  ARG  33          2HH1      ARG  33 -19.873 -11.244   4.545
  255   1HH2  ARG  33          1HH2      ARG  33 -18.928  -8.429   6.520
  256   2HH2  ARG  33          2HH2      ARG  33 -19.947  -9.820   6.484
  257    H    TYR  34           H        TYR  34 -18.224  -3.923  -0.407
  258    HA   TYR  34           HA       TYR  34 -20.911  -3.068   0.406
  259   1HB   TYR  34          1HB       TYR  34 -18.870  -2.016   1.580
  260   2HB   TYR  34          2HB       TYR  34 -18.364  -1.439   0.004
  261    HD1  TYR  34           HD1      TYR  34 -19.581   0.418  -1.118
  262    HD2  TYR  34           HD2      TYR  34 -20.818  -1.127   2.732
  263    HE1  TYR  34           HE1      TYR  34 -20.862   2.488  -0.699
  264    HE2  TYR  34           HE2      TYR  34 -22.112   0.913   3.141
  265    HH   TYR  34           HH       TYR  34 -22.257   3.192   2.489
  266   1HN   NH2  35          1H        NH2  35 -21.956  -1.914  -1.379
  267   2HN   NH2  35          2H        NH2  35 -21.256  -1.823  -2.979
  268   2HN   ZAB  10          H         AZO  10  11.715  12.468   1.968
  269   2HA   ZAB  10          2HA       AZO  10   9.263  13.948   2.595
  270   3HA   ZAB  10          3HA       AZO  10  10.761  14.725   3.195
  271    HG2  ZAB  10           HG2      AZO  10   8.890  13.581   0.204
  272    HD2  ZAB  10           HD2      AZO  10   9.548  14.054  -2.137
  273    HE   ZAB  10           HE       AZO  10  11.732  15.144  -2.626
  274    HG1  ZAB  10           HG1      AZO  10  12.531  15.417   1.609
  275    HJ2  ZAB  10           HJ2      AZO  10  15.920  15.508  -3.499
  276    HK2  ZAB  10           HK2      AZO  10  17.141  13.446  -4.134
  277    HL   ZAB  10           HL       AZO  10  16.904  11.391  -2.787
  278    HJ1  ZAB  10           HJ1      AZO  10  14.247  13.463  -0.093
  279   2HM   ZAB  10          2HM       AZO  10  16.380  10.536  -0.477
  280   3HM   ZAB  10          3HM       AZO  10  15.141  11.344   0.490
  Start of MODEL    9
    1   1H    GLY   1          H         GLY   1  15.262  -0.808 -10.643
    2   1HA   GLY   1          1HA       GLY   1  12.453   0.089 -10.333
    3   2HA   GLY   1          2HA       GLY   1  13.579   0.739 -11.533
    4    HA   PRO   2           HA       PRO   2  11.514  -2.710 -13.791
    5   1HB   PRO   2          1HB       PRO   2  11.589  -1.624 -16.300
    6   2HB   PRO   2          2HB       PRO   2  10.399  -1.110 -15.076
    7   1HG   PRO   2          1HG       PRO   2  13.043   0.158 -15.742
    8   2HG   PRO   2          2HG       PRO   2  11.450   0.968 -15.623
    9   1HD   PRO   2          1HD       PRO   2  13.203   1.013 -13.549
   10   2HD   PRO   2          2HD       PRO   2  11.462   0.813 -13.245
   11    H    SER   3           H        SER   3  14.535  -1.893 -13.262
   12    HA   SER   3           HA       SER   3  15.908  -4.033 -14.283
   13   1HB   SER   3          1HB       SER   3  15.831  -2.326 -16.316
   14   2HB   SER   3          2HB       SER   3  16.971  -1.382 -15.341
   15    HG   SER   3           HG       SER   3  17.162  -4.082 -16.251
   16    H    GLN   4           H        GLN   4  18.418  -3.279 -13.518
   17    HA   GLN   4           HA       GLN   4  19.617  -2.960 -11.645
   18   1HB   GLN   4          1HB       GLN   4  19.345  -0.716 -12.901
   19   2HB   GLN   4          2HB       GLN   4  18.360  -0.207 -11.544
   20   1HG   GLN   4          1HG       GLN   4  21.224  -1.251 -11.396
   21   2HG   GLN   4          2HG       GLN   4  20.785   0.449 -11.448
   22   1HE2  GLN   4          2HE2      GLN   4  19.113   1.127  -9.627
   23   2HE2  GLN   4          1HE2      GLN   4  19.559   0.525  -8.037
   24    HA   PRO   5           HA       PRO   5  16.036  -3.772  -8.746
   25   1HB   PRO   5          1HB       PRO   5  16.654  -6.328  -8.030
   26   2HB   PRO   5          2HB       PRO   5  15.731  -5.955  -9.515
   27   1HG   PRO   5          1HG       PRO   5  18.693  -6.560  -9.257
   28   2HG   PRO   5          2HG       PRO   5  17.530  -7.196 -10.456
   29   1HD   PRO   5          1HD       PRO   5  19.207  -5.080 -10.964
   30   2HD   PRO   5          2HD       PRO   5  17.587  -5.226 -11.708
   31    H    THR   6           H        THR   6  16.490  -2.882  -6.713
   32    HA   THR   6           HA       THR   6  19.314  -2.838  -5.895
   33    HB   THR   6           HB       THR   6  17.788  -0.804  -5.923
   34    HG1  THR   6           HG1      THR   6  19.639  -0.564  -5.117
   35   1HG2  THR   6          1HG2      THR   6  16.487  -0.293  -3.963
   36   2HG2  THR   6          2HG2      THR   6  16.865  -1.849  -3.226
   37   3HG2  THR   6          3HG2      THR   6  15.843  -1.779  -4.680
   38    H    TYR   7           H        TYR   7  19.610  -3.099  -3.455
   39    HA   TYR   7           HA       TYR   7  19.134  -5.854  -2.854
   40   1HB   TYR   7          1HB       TYR   7  20.217  -5.257  -0.640
   41   2HB   TYR   7          2HB       TYR   7  21.126  -4.878  -2.082
   42    HD1  TYR   7           HD1      TYR   7  18.819  -3.266   0.442
   43    HD2  TYR   7           HD2      TYR   7  22.147  -2.809  -2.273
   44    HE1  TYR   7           HE1      TYR   7  19.158  -0.962   1.237
   45    HE2  TYR   7           HE2      TYR   7  22.503  -0.500  -1.453
   46    HH   TYR   7           HH       TYR   7  21.445   1.328  -0.247
   47    HA   PRO   8           HA       PRO   8  15.271  -5.782  -0.764
   48   1HB   PRO   8          1HB       PRO   8  15.621  -7.477   1.404
   49   2HB   PRO   8          2HB       PRO   8  15.426  -8.012  -0.291
   50   1HG   PRO   8          1HG       PRO   8  18.003  -7.594   1.250
   51   2HG   PRO   8          2HG       PRO   8  17.539  -9.002   0.240
   52   1HD   PRO   8          1HD       PRO   8  19.126  -7.078  -0.743
   53   2HD   PRO   8          2HD       PRO   8  17.822  -7.735  -1.765
   54    H    GLY   9           H        GLY   9  14.419  -4.164   0.388
   55   1HA   GLY   9          1HA       GLY   9  14.330  -3.381   2.877
   56   2HA   GLY   9          2HA       GLY   9  15.955  -2.767   2.490
   57    HA   PRO  11           HA       PRO  11  14.226   6.387  -3.903
   58   1HB   PRO  11          1HB       PRO  11  12.693   4.113  -3.704
   59   2HB   PRO  11          2HB       PRO  11  14.406   4.127  -4.205
   60   1HG   PRO  11          1HG       PRO  11  13.273   3.528  -1.450
   61   2HG   PRO  11          2HG       PRO  11  14.534   2.630  -2.345
   62   1HD   PRO  11          1HD       PRO  11  15.090   4.477  -0.405
   63   2HD   PRO  11          2HD       PRO  11  16.162   4.239  -1.817
   64    H    VAL  12           H        VAL  12  12.905   8.202  -3.552
   65    HA   VAL  12           HA       VAL  12  11.004   8.360  -1.434
   66    HB   VAL  12           HB       VAL  12  11.047   9.924  -4.046
   67   1HG1  VAL  12          1HG1      VAL  12   8.927  10.215  -2.861
   68   2HG1  VAL  12          2HG1      VAL  12   9.776  10.510  -1.324
   69   3HG1  VAL  12          3HG1      VAL  12   9.891  11.678  -2.660
   70   1HG2  VAL  12          1HG2      VAL  12  12.276  11.652  -2.737
   71   2HG2  VAL  12          2HG2      VAL  12  12.378  10.533  -1.361
   72   3HG2  VAL  12          3HG2      VAL  12  13.211  10.168  -2.886
   73    H    GLU  13           H        GLU  13  10.805   7.034  -4.714
   74    HA   GLU  13           HA       GLU  13   8.014   6.767  -4.949
   75   1HB   GLU  13          1HB       GLU  13  10.265   4.948  -5.927
   76   2HB   GLU  13          2HB       GLU  13   8.598   4.861  -6.493
   77   1HG   GLU  13          1HG       GLU  13  10.471   7.237  -6.845
   78   2HG   GLU  13          2HG       GLU  13  10.081   6.039  -8.078
   79    H    ASP  14           H        ASP  14  10.229   5.042  -2.794
   80    HA   ASP  14           HA       ASP  14   8.670   2.639  -2.579
   81   1HB   ASP  14          1HB       ASP  14  11.120   3.007  -1.918
   82   2HB   ASP  14          2HB       ASP  14  10.493   3.685  -0.405
   83    H    LEU  15           H        LEU  15   8.738   5.716  -0.848
   84    HA   LEU  15           HA       LEU  15   6.934   5.020   1.231
   85   1HB   LEU  15          1HB       LEU  15   8.138   7.515   0.020
   86   2HB   LEU  15          2HB       LEU  15   6.671   7.714   0.893
   87    HG   LEU  15           HG       LEU  15   8.613   8.158   2.267
   88   1HD1  LEU  15          1HD1      LEU  15   7.204   5.655   3.285
   89   2HD1  LEU  15          2HD1      LEU  15   6.588   7.320   3.386
   90   3HD1  LEU  15          3HD1      LEU  15   8.065   6.875   4.248
   91   1HD2  LEU  15          1HD2      LEU  15   9.377   5.231   1.899
   92   2HD2  LEU  15          2HD2      LEU  15  10.196   6.398   2.943
   93   3HD2  LEU  15          3HD2      LEU  15  10.213   6.618   1.177
   94    H    ILE  16           H        ILE  16   6.521   6.229  -2.085
   95    HA   ILE  16           HA       ILE  16   3.766   6.914  -1.889
   96    HB   ILE  16           HB       ILE  16   5.231   5.849  -4.339
   97   1HG1  ILE  16          1HG1      ILE  16   6.530   7.682  -3.431
   98   2HG1  ILE  16          2HG1      ILE  16   5.742   8.121  -4.911
   99   1HG2  ILE  16          1HG2      ILE  16   3.596   7.230  -5.598
  100   2HG2  ILE  16          2HG2      ILE  16   2.816   5.929  -4.690
  101   3HG2  ILE  16          3HG2      ILE  16   2.749   7.588  -4.085
  102   1HD1  ILE  16          1HD1      ILE  16   4.051   9.436  -3.616
  103   2HD1  ILE  16          2HD1      ILE  16   4.839   8.946  -2.103
  104   3HD1  ILE  16          3HD1      ILE  16   5.691   9.962  -3.265
  105    H    ARG  17           H        ARG  17   5.313   3.880  -3.129
  106    HA   ARG  17           HA       ARG  17   2.793   2.555  -3.168
  107   1HB   ARG  17          1HB       ARG  17   3.980   0.528  -3.683
  108   2HB   ARG  17          2HB       ARG  17   4.541   1.871  -4.634
  109   1HG   ARG  17          1HG       ARG  17   6.458   0.732  -4.165
  110   2HG   ARG  17          2HG       ARG  17   6.515   2.025  -2.969
  111   1HD   ARG  17          1HD       ARG  17   5.620   0.416  -1.261
  112   2HD   ARG  17          2HD       ARG  17   5.536  -0.829  -2.513
  113    HE   ARG  17           HE       ARG  17   8.085   0.474  -1.647
  114   1HH1  ARG  17          1HH1      ARG  17   6.256  -2.557  -2.092
  115   2HH1  ARG  17          2HH1      ARG  17   7.517  -3.540  -1.425
  116   1HH2  ARG  17          1HH2      ARG  17   9.746  -0.804  -1.027
  117   2HH2  ARG  17          2HH2      ARG  17   9.636  -2.522  -0.869
  118    H    PHE  18           H        PHE  18   4.924   3.104  -0.491
  119    HA   PHE  18           HA       PHE  18   3.862   0.944   1.119
  120   1HB   PHE  18          1HB       PHE  18   6.059   2.114   1.552
  121   2HB   PHE  18          2HB       PHE  18   5.180   3.571   1.957
  122    HD1  PHE  18           HD1      PHE  18   5.202   3.982   4.289
  123    HD2  PHE  18           HD2      PHE  18   4.835  -0.073   2.867
  124    HE1  PHE  18           HE1      PHE  18   4.950   3.180   6.616
  125    HE2  PHE  18           HE2      PHE  18   4.591  -0.874   5.201
  126    HZ   PHE  18           HZ       PHE  18   4.625   0.734   7.065
  127    H    TYR  19           H        TYR  19   3.086   4.357   0.526
  128    HA   TYR  19           HA       TYR  19   1.060   4.585   2.581
  129   1HB   TYR  19          1HB       TYR  19   2.518   6.377   1.224
  130   2HB   TYR  19          2HB       TYR  19   1.139   6.379   0.153
  131    HD1  TYR  19           HD1      TYR  19  -1.222   6.686   1.443
  132    HD2  TYR  19           HD2      TYR  19   2.636   7.832   2.995
  133    HE1  TYR  19           HE1      TYR  19  -2.324   8.235   3.060
  134    HE2  TYR  19           HE2      TYR  19   1.574   9.421   4.522
  135    HH   TYR  19           HH       TYR  19  -0.465  10.494   5.042
  136    H    ASN  20           H        ASN  20   1.049   4.092  -0.942
  137    HA   ASN  20           HA       ASN  20  -1.710   4.084  -1.410
  138   1HB   ASN  20          1HB       ASN  20   0.098   4.125  -3.161
  139   2HB   ASN  20          2HB       ASN  20   0.417   2.421  -2.814
  140   1HD2  ASN  20          2HD2      ASN  20  -0.307   1.417  -4.681
  141   2HD2  ASN  20          1HD2      ASN  20  -1.859   1.716  -5.430
  142    H    ASP  21           H        ASP  21   0.311   1.473  -0.103
  143    HA   ASP  21           HA       ASP  21  -1.459  -0.694  -0.606
  144   1HB   ASP  21          1HB       ASP  21   0.852  -1.039   0.141
  145   2HB   ASP  21          2HB       ASP  21   0.460  -0.334   1.719
  146    H    LEU  22           H        LEU  22  -1.462   1.812   1.911
  147    HA   LEU  22           HA       LEU  22  -3.428   0.554   3.605
  148   1HB   LEU  22          1HB       LEU  22  -2.751   3.497   3.218
  149   2HB   LEU  22          2HB       LEU  22  -3.770   2.869   4.502
  150    HG   LEU  22           HG       LEU  22  -0.847   2.070   4.129
  151   1HD1  LEU  22          1HD1      LEU  22  -2.059   4.218   5.917
  152   2HD1  LEU  22          2HD1      LEU  22  -0.958   4.472   4.549
  153   3HD1  LEU  22          3HD1      LEU  22  -0.387   3.637   6.001
  154   1HD2  LEU  22          1HD2      LEU  22  -2.182   0.470   5.449
  155   2HD2  LEU  22          2HD2      LEU  22  -2.743   1.785   6.507
  156   3HD2  LEU  22          3HD2      LEU  22  -1.026   1.329   6.476
  157    H    GLN  23           H        GLN  23  -3.592   2.903   0.907
  158    HA   GLN  23           HA       GLN  23  -6.479   3.120   0.994
  159   1HB   GLN  23          1HB       GLN  23  -4.470   3.783  -1.214
  160   2HB   GLN  23          2HB       GLN  23  -6.206   3.985  -1.389
  161   1HG   GLN  23          1HG       GLN  23  -5.561   6.099  -0.775
  162   2HG   GLN  23          2HG       GLN  23  -6.121   5.437   0.749
  163   1HE2  GLN  23          2HE2      GLN  23  -4.548   5.186   2.485
  164   2HE2  GLN  23          1HE2      GLN  23  -2.910   5.730   2.309
  165    H    GLN  24           H        GLN  24  -4.240   1.025  -0.771
  166    HA   GLN  24           HA       GLN  24  -6.040  -0.260  -2.503
  167   1HB   GLN  24          1HB       GLN  24  -3.533  -0.251  -2.560
  168   2HB   GLN  24          2HB       GLN  24  -3.532  -1.357  -1.202
  169   1HG   GLN  24          1HG       GLN  24  -3.826  -3.142  -2.506
  170   2HG   GLN  24          2HG       GLN  24  -5.209  -2.435  -3.329
  171   1HE2  GLN  24          2HE2      GLN  24  -4.527  -0.602  -4.982
  172   2HE2  GLN  24          1HE2      GLN  24  -3.141  -0.950  -5.991
  173    H    TYR  25           H        TYR  25  -5.144  -0.904   0.839
  174    HA   TYR  25           HA       TYR  25  -6.700  -3.360   1.091
  175   1HB   TYR  25          1HB       TYR  25  -4.588  -2.573   2.377
  176   2HB   TYR  25          2HB       TYR  25  -5.654  -1.516   3.294
  177    HD1  TYR  25           HD1      TYR  25  -6.451  -2.389   5.351
  178    HD2  TYR  25           HD2      TYR  25  -5.281  -5.093   2.210
  179    HE1  TYR  25           HE1      TYR  25  -6.628  -4.285   6.910
  180    HE2  TYR  25           HE2      TYR  25  -5.461  -7.010   3.764
  181    HH   TYR  25           HH       TYR  25  -5.934  -7.681   5.973
  182    H    LEU  26           H        LEU  26  -7.764  -0.240   0.727
  183    HA   LEU  26           HA       LEU  26 -10.246  -0.814   2.271
  184   1HB   LEU  26          1HB       LEU  26  -8.978   1.819   1.485
  185   2HB   LEU  26          2HB       LEU  26 -10.582   1.698   2.196
  186    HG   LEU  26           HG       LEU  26  -8.124   0.581   3.613
  187   1HD1  LEU  26          1HD1      LEU  26  -9.219   3.410   3.789
  188   2HD1  LEU  26          2HD1      LEU  26  -7.645   2.914   3.155
  189   3HD1  LEU  26          3HD1      LEU  26  -7.994   2.685   4.865
  190   1HD2  LEU  26          1HD2      LEU  26  -9.530   0.865   5.615
  191   2HD2  LEU  26          2HD2      LEU  26 -10.331  -0.167   4.436
  192   3HD2  LEU  26          3HD2      LEU  26 -10.851   1.513   4.620
  193    H    ASN  27           H        ASN  27  -8.880  -0.200  -0.709
  194    HA   ASN  27           HA       ASN  27 -11.411  -0.070  -2.104
  195   1HB   ASN  27          1HB       ASN  27  -8.515   0.524  -2.661
  196   2HB   ASN  27          2HB       ASN  27  -9.408  -0.060  -4.020
  197   1HD2  ASN  27          2HD2      ASN  27  -8.414   2.749  -2.824
  198   2HD2  ASN  27          1HD2      ASN  27  -9.761   3.794  -3.214
  199    H    VAL  28           H        VAL  28  -9.800  -2.617  -1.039
  200    HA   VAL  28           HA       VAL  28 -11.010  -4.324  -3.145
  201    HB   VAL  28           HB       VAL  28  -8.315  -4.875  -1.824
  202   1HG1  VAL  28          1HG1      VAL  28  -9.468  -6.951  -2.611
  203   2HG1  VAL  28          2HG1      VAL  28  -9.818  -6.203  -4.169
  204   3HG1  VAL  28          3HG1      VAL  28  -8.158  -6.599  -3.727
  205   1HG2  VAL  28          1HG2      VAL  28  -8.873  -3.965  -4.692
  206   2HG2  VAL  28          2HG2      VAL  28  -8.086  -2.976  -3.447
  207   3HG2  VAL  28          3HG2      VAL  28  -7.290  -4.427  -4.043
  208    H    VAL  29           H        VAL  29 -10.586  -3.567   0.133
  209    HA   VAL  29           HA       VAL  29 -11.722  -6.147   1.019
  210    HB   VAL  29           HB       VAL  29 -10.843  -3.720   2.605
  211   1HG1  VAL  29          1HG1      VAL  29 -12.566  -5.108   3.801
  212   2HG1  VAL  29          2HG1      VAL  29 -11.557  -6.533   3.566
  213   3HG1  VAL  29          3HG1      VAL  29 -10.989  -5.192   4.580
  214   1HG2  VAL  29          1HG2      VAL  29  -8.945  -4.904   1.522
  215   2HG2  VAL  29          2HG2      VAL  29  -8.918  -5.091   3.272
  216   3HG2  VAL  29          3HG2      VAL  29  -9.475  -6.428   2.265
  217    H    THR  30           H        THR  30 -12.585  -2.752   1.637
  218    HA   THR  30           HA       THR  30 -15.316  -3.394   1.987
  219    HB   THR  30           HB       THR  30 -15.261  -0.700   1.169
  220    HG1  THR  30           HG1      THR  30 -13.045  -0.539   1.493
  221   1HG2  THR  30          1HG2      THR  30 -15.270  -1.649   4.029
  222   2HG2  THR  30          2HG2      THR  30 -16.671  -1.778   2.943
  223   3HG2  THR  30          3HG2      THR  30 -15.999  -0.186   3.338
  224    H    ARG  31           H        ARG  31 -13.588  -2.533  -0.979
  225    HA   ARG  31           HA       ARG  31 -15.885  -2.028  -2.550
  226   1HB   ARG  31          1HB       ARG  31 -13.448  -1.580  -3.107
  227   2HB   ARG  31          2HB       ARG  31 -13.320  -3.295  -3.571
  228   1HG   ARG  31          1HG       ARG  31 -15.059  -2.938  -5.306
  229   2HG   ARG  31          2HG       ARG  31 -15.230  -1.247  -4.767
  230   1HD   ARG  31          1HD       ARG  31 -12.877  -0.833  -5.379
  231   2HD   ARG  31          2HD       ARG  31 -12.752  -2.495  -5.958
  232    HE   ARG  31           HE       ARG  31 -14.976  -1.025  -7.131
  233   1HH1  ARG  31          1HH1      ARG  31 -11.510  -1.693  -7.501
  234   2HH1  ARG  31          2HH1      ARG  31 -11.493  -1.400  -9.203
  235   1HH2  ARG  31          1HH2      ARG  31 -15.009  -0.693  -9.269
  236   2HH2  ARG  31          2HH2      ARG  31 -13.604  -0.862 -10.296
  237    H    HIS  32           H        HIS  32 -14.702  -4.979  -1.319
  238    HA   HIS  32           HA       HIS  32 -16.615  -6.595  -2.922
  239   1HB   HIS  32          1HB       HIS  32 -13.919  -7.195  -1.657
  240   2HB   HIS  32          2HB       HIS  32 -15.039  -8.466  -2.079
  241    HD1  HIS  32           HD1      HIS  32 -12.428  -8.705  -3.487
  242    HD2  HIS  32           HD2      HIS  32 -15.679  -6.450  -4.958
  243    HE1  HIS  32           HE1      HIS  32 -12.237  -8.734  -6.037
  244    H    ARG  33           H        ARG  33 -16.918  -4.945  -0.217
  245    HA   ARG  33           HA       ARG  33 -18.318  -7.176   1.171
  246   1HB   ARG  33          1HB       ARG  33 -16.151  -6.894   2.268
  247   2HB   ARG  33          2HB       ARG  33 -16.501  -5.214   2.608
  248   1HG   ARG  33          1HG       ARG  33 -18.448  -7.335   3.565
  249   2HG   ARG  33          2HG       ARG  33 -16.885  -7.209   4.366
  250   1HD   ARG  33          1HD       ARG  33 -17.291  -4.776   4.746
  251   2HD   ARG  33          2HD       ARG  33 -18.904  -4.939   4.089
  252    HE   ARG  33           HE       ARG  33 -17.798  -6.001   6.618
  253   1HH1  ARG  33          1HH1      ARG  33 -20.673  -5.658   4.550
  254   2HH1  ARG  33          2HH1      ARG  33 -21.770  -5.506   5.888
  255   1HH2  ARG  33          1HH2      ARG  33 -19.315  -6.183   8.343
  256   2HH2  ARG  33          2HH2      ARG  33 -21.017  -6.131   8.052
  257    H    TYR  34           H        TYR  34 -18.135  -3.665   0.475
  258    HA   TYR  34           HA       TYR  34 -20.551  -3.103   1.977
  259   1HB   TYR  34          1HB       TYR  34 -18.626  -1.535   1.656
  260   2HB   TYR  34          2HB       TYR  34 -19.013  -1.438  -0.046
  261    HD1  TYR  34           HD1      TYR  34 -20.597   0.195  -0.785
  262    HD2  TYR  34           HD2      TYR  34 -20.426  -0.812   3.388
  263    HE1  TYR  34           HE1      TYR  34 -22.001   2.159  -0.269
  264    HE2  TYR  34           HE2      TYR  34 -21.811   1.170   3.931
  265    HH   TYR  34           HH       TYR  34 -23.646   2.869   1.948
  266   1HN   NH2  35          1H        NH2  35 -21.268  -5.228   0.496
  267   2HN   NH2  35          2H        NH2  35 -22.082  -4.812  -1.008
  268   2HN   ZAB  10          H         AZO  10  16.073  -0.829   1.489
  269   2HA   ZAB  10          2HA       AZO  10  15.601   0.813  -0.123
  270   3HA   ZAB  10          3HA       AZO  10  13.997   0.112  -0.400
  271    HG2  ZAB  10           HG2      AZO  10  12.142   1.060   0.613
  272    HD2  ZAB  10           HD2      AZO  10  11.163   2.904   1.995
  273    HE   ZAB  10           HE       AZO  10  12.601   4.177   3.549
  274    HG1  ZAB  10           HG1      AZO  10  16.017   1.910   2.220
  275    HJ2  ZAB  10           HJ2      AZO  10  13.750   7.025   4.407
  276    HK2  ZAB  10           HK2      AZO  10  13.416   8.878   2.795
  277    HL   ZAB  10           HL       AZO  10  14.574   8.858   0.609
  278    HJ1  ZAB  10           HJ1      AZO  10  16.490   5.131   1.674
  279   2HM   ZAB  10          2HM       AZO  10  16.997   7.871  -0.366
  280   3HM   ZAB  10          3HM       AZO  10  17.005   6.111  -0.388
  Start of MODEL   10
    1   1H    GLY   1          H         GLY   1  -4.265  -9.185  -6.635
    2   1HA   GLY   1          1HA       GLY   1  -6.156 -10.698  -6.949
    3   2HA   GLY   1          2HA       GLY   1  -5.026 -11.852  -7.678
    4    HA   PRO   2           HA       PRO   2  -5.264 -13.137  -3.287
    5   1HB   PRO   2          1HB       PRO   2  -4.173 -15.662  -3.665
    6   2HB   PRO   2          2HB       PRO   2  -5.896 -15.264  -3.883
    7   1HG   PRO   2          1HG       PRO   2  -3.746 -15.518  -5.974
    8   2HG   PRO   2          2HG       PRO   2  -5.446 -16.089  -6.026
    9   1HD   PRO   2          1HD       PRO   2  -4.617 -13.793  -7.234
   10   2HD   PRO   2          2HD       PRO   2  -6.252 -13.945  -6.519
   11    H    SER   3           H        SER   3  -3.761 -11.845  -2.265
   12    HA   SER   3           HA       SER   3  -1.028 -12.746  -2.140
   13   1HB   SER   3          1HB       SER   3  -1.198 -11.204  -4.225
   14   2HB   SER   3          2HB       SER   3  -1.528  -9.900  -3.068
   15    HG   SER   3           HG       SER   3   0.593  -9.803  -3.056
   16    H    GLN   4           H        GLN   4   0.183 -11.263  -0.700
   17    HA   GLN   4           HA       GLN   4  -1.286  -9.828   1.367
   18   1HB   GLN   4          1HB       GLN   4   0.133 -11.123   3.065
   19   2HB   GLN   4          2HB       GLN   4  -1.292 -11.933   2.442
   20   1HG   GLN   4          1HG       GLN   4   1.554 -12.454   1.453
   21   2HG   GLN   4          2HG       GLN   4   0.753 -13.382   2.715
   22   1HE2  GLN   4          2HE2      GLN   4   1.686 -14.027  -0.267
   23   2HE2  GLN   4          1HE2      GLN   4   0.247 -14.735  -0.960
   24    HA   PRO   5           HA       PRO   5   2.358  -7.445   0.472
   25   1HB   PRO   5          1HB       PRO   5   2.607  -5.861   2.654
   26   2HB   PRO   5          2HB       PRO   5   1.256  -5.680   1.493
   27   1HG   PRO   5          1HG       PRO   5   1.221  -7.140   4.153
   28   2HG   PRO   5          2HG       PRO   5   0.026  -5.963   3.516
   29   1HD   PRO   5          1HD       PRO   5  -0.317  -8.671   3.313
   30   2HD   PRO   5          2HD       PRO   5  -0.871  -7.555   2.031
   31    H    THR   6           H        THR   6   4.621  -7.560   0.844
   32    HA   THR   6           HA       THR   6   5.572  -9.080   3.220
   33    HB   THR   6           HB       THR   6   6.567  -9.545   0.396
   34    HG1  THR   6           HG1      THR   6   5.265 -11.296   0.195
   35   1HG2  THR   6          1HG2      THR   6   6.739 -11.274   2.891
   36   2HG2  THR   6          2HG2      THR   6   8.065 -10.343   2.153
   37   3HG2  THR   6          3HG2      THR   6   7.369 -11.691   1.273
   38    H    TYR   7           H        TYR   7   7.741  -8.610   3.776
   39    HA   TYR   7           HA       TYR   7   9.567  -7.451   4.103
   40   1HB   TYR   7          1HB       TYR   7   9.632  -6.372   1.302
   41   2HB   TYR   7          2HB       TYR   7  10.932  -6.806   2.388
   42    HD1  TYR   7           HD1      TYR   7   8.938  -7.843  -0.386
   43    HD2  TYR   7           HD2      TYR   7  11.254  -9.328   2.924
   44    HE1  TYR   7           HE1      TYR   7   9.265  -9.982  -1.584
   45    HE2  TYR   7           HE2      TYR   7  11.594 -11.478   1.736
   46    HH   TYR   7           HH       TYR   7  11.031 -12.727  -0.126
   47    HA   PRO   8           HA       PRO   8   7.184  -3.522   4.692
   48   1HB   PRO   8          1HB       PRO   8   7.187  -3.398   7.399
   49   2HB   PRO   8          2HB       PRO   8   6.113  -4.547   6.548
   50   1HG   PRO   8          1HG       PRO   8   8.847  -5.106   7.757
   51   2HG   PRO   8          2HG       PRO   8   7.324  -6.017   8.017
   52   1HD   PRO   8          1HD       PRO   8   9.206  -6.766   6.163
   53   2HD   PRO   8          2HD       PRO   8   7.449  -7.012   5.901
   54    H    GLY   9           H        GLY   9   8.019  -1.523   6.049
   55   1HA   GLY   9          1HA       GLY   9   9.625   0.004   6.496
   56   2HA   GLY   9          2HA       GLY   9  10.641  -1.340   7.036
   57    HA   PRO  11           HA       PRO  11  13.892   7.426  -4.364
   58   1HB   PRO  11          1HB       PRO  11  12.498   6.141  -6.333
   59   2HB   PRO  11          2HB       PRO  11  14.262   5.920  -6.127
   60   1HG   PRO  11          1HG       PRO  11  12.032   4.132  -5.104
   61   2HG   PRO  11          2HG       PRO  11  13.508   3.652  -6.002
   62   1HD   PRO  11          1HD       PRO  11  13.317   3.528  -3.267
   63   2HD   PRO  11          2HD       PRO  11  14.855   3.935  -4.065
   64    H    VAL  12           H        VAL  12  11.810   8.512  -5.152
   65    HA   VAL  12           HA       VAL  12   9.939   8.753  -3.123
   66    HB   VAL  12           HB       VAL  12   9.117   9.234  -6.005
   67   1HG1  VAL  12          1HG1      VAL  12   8.054  11.221  -5.050
   68   2HG1  VAL  12          2HG1      VAL  12   7.586   9.807  -4.091
   69   3HG1  VAL  12          3HG1      VAL  12   8.821  10.918  -3.476
   70   1HG2  VAL  12          1HG2      VAL  12  11.172  10.892  -4.490
   71   2HG2  VAL  12          2HG2      VAL  12  11.395  10.074  -6.057
   72   3HG2  VAL  12          3HG2      VAL  12  10.298  11.444  -5.934
   73    H    GLU  13           H        GLU  13   9.733   6.581  -5.994
   74    HA   GLU  13           HA       GLU  13   7.120   5.736  -5.506
   75   1HB   GLU  13          1HB       GLU  13   7.479   3.922  -6.941
   76   2HB   GLU  13          2HB       GLU  13   8.289   5.359  -7.564
   77   1HG   GLU  13          1HG       GLU  13  10.466   4.489  -6.860
   78   2HG   GLU  13          2HG       GLU  13   9.697   3.066  -6.130
   79    H    ASP  14           H        ASP  14  10.025   4.675  -3.806
   80    HA   ASP  14           HA       ASP  14   8.938   2.264  -2.663
   81   1HB   ASP  14          1HB       ASP  14  11.317   2.610  -2.779
   82   2HB   ASP  14          2HB       ASP  14  11.206   4.123  -1.870
   83    H    LEU  15           H        LEU  15   8.627   5.647  -1.941
   84    HA   LEU  15           HA       LEU  15   7.455   5.200   0.715
   85   1HB   LEU  15          1HB       LEU  15   9.270   6.845   0.327
   86   2HB   LEU  15          2HB       LEU  15   8.253   7.701  -0.833
   87    HG   LEU  15           HG       LEU  15   6.672   8.274   0.894
   88   1HD1  LEU  15          1HD1      LEU  15   7.245   7.864   3.335
   89   2HD1  LEU  15          2HD1      LEU  15   8.526   6.749   2.796
   90   3HD1  LEU  15          3HD1      LEU  15   6.813   6.397   2.461
   91   1HD2  LEU  15          1HD2      LEU  15   9.560   8.871   1.686
   92   2HD2  LEU  15          2HD2      LEU  15   8.148   9.811   2.205
   93   3HD2  LEU  15          3HD2      LEU  15   8.601   9.750   0.484
   94    H    ILE  16           H        ILE  16   6.588   5.902  -2.605
   95    HA   ILE  16           HA       ILE  16   3.894   6.887  -2.078
   96    HB   ILE  16           HB       ILE  16   5.308   5.778  -4.544
   97   1HG1  ILE  16          1HG1      ILE  16   4.247   8.553  -3.927
   98   2HG1  ILE  16          2HG1      ILE  16   5.890   8.094  -3.591
   99   1HG2  ILE  16          1HG2      ILE  16   3.415   6.464  -5.951
  100   2HG2  ILE  16          2HG2      ILE  16   2.914   5.225  -4.825
  101   3HG2  ILE  16          3HG2      ILE  16   2.489   6.922  -4.511
  102   1HD1  ILE  16          1HD1      ILE  16   5.849   9.340  -5.658
  103   2HD1  ILE  16          2HD1      ILE  16   6.263   7.663  -6.042
  104   3HD1  ILE  16          3HD1      ILE  16   4.623   8.276  -6.344
  105    H    ARG  17           H        ARG  17   5.282   3.720  -3.152
  106    HA   ARG  17           HA       ARG  17   2.796   2.361  -3.137
  107   1HB   ARG  17          1HB       ARG  17   4.069   0.321  -3.258
  108   2HB   ARG  17          2HB       ARG  17   4.805   1.546  -4.289
  109   1HG   ARG  17          1HG       ARG  17   6.450   1.995  -2.342
  110   2HG   ARG  17          2HG       ARG  17   5.805   0.548  -1.584
  111   1HD   ARG  17          1HD       ARG  17   7.008   0.610  -4.386
  112   2HD   ARG  17          2HD       ARG  17   7.916   0.216  -2.926
  113    HE   ARG  17           HE       ARG  17   5.525  -1.319  -3.902
  114   1HH1  ARG  17          1HH1      ARG  17   8.726  -1.405  -2.361
  115   2HH1  ARG  17          2HH1      ARG  17   8.712  -3.123  -2.195
  116   1HH2  ARG  17          1HH2      ARG  17   5.387  -3.413  -3.469
  117   2HH2  ARG  17          2HH2      ARG  17   6.648  -4.299  -2.636
  118    H    PHE  18           H        PHE  18   5.133   2.870  -0.504
  119    HA   PHE  18           HA       PHE  18   3.947   1.161   1.383
  120   1HB   PHE  18          1HB       PHE  18   6.152   2.160   1.653
  121   2HB   PHE  18          2HB       PHE  18   5.466   3.781   1.671
  122    HD1  PHE  18           HD1      PHE  18   6.299   4.565   3.742
  123    HD2  PHE  18           HD2      PHE  18   4.154   0.818   3.618
  124    HE1  PHE  18           HE1      PHE  18   6.275   4.485   6.211
  125    HE2  PHE  18           HE2      PHE  18   4.091   0.791   6.081
  126    HZ   PHE  18           HZ       PHE  18   5.199   2.576   7.386
  127    H    TYR  19           H        TYR  19   3.046   4.475   0.382
  128    HA   TYR  19           HA       TYR  19   1.074   4.668   2.524
  129   1HB   TYR  19          1HB       TYR  19   2.402   6.623   1.275
  130   2HB   TYR  19          2HB       TYR  19   1.124   6.494   0.098
  131    HD1  TYR  19           HD1      TYR  19  -0.538   8.194   0.417
  132    HD2  TYR  19           HD2      TYR  19   1.252   6.325   3.875
  133    HE1  TYR  19           HE1      TYR  19  -2.155   9.356   1.884
  134    HE2  TYR  19           HE2      TYR  19  -0.394   7.406   5.330
  135    HH   TYR  19           HH       TYR  19  -2.889   9.676   4.146
  136    H    ASN  20           H        ASN  20   1.084   4.238  -0.956
  137    HA   ASN  20           HA       ASN  20  -1.719   4.090  -1.372
  138   1HB   ASN  20          1HB       ASN  20   0.667   3.075  -2.933
  139   2HB   ASN  20          2HB       ASN  20  -0.947   2.562  -3.396
  140   1HD2  ASN  20          2HD2      ASN  20   1.079   5.463  -2.905
  141   2HD2  ASN  20          1HD2      ASN  20   0.116   6.512  -3.920
  142    H    ASP  21           H        ASP  21   0.476   1.605  -0.138
  143    HA   ASP  21           HA       ASP  21  -1.046  -0.725  -0.536
  144   1HB   ASP  21          1HB       ASP  21   1.155  -0.965   0.251
  145   2HB   ASP  21          2HB       ASP  21   0.940   0.221   1.538
  146    H    LEU  22           H        LEU  22  -1.340   1.801   1.917
  147    HA   LEU  22           HA       LEU  22  -3.245   0.498   3.616
  148   1HB   LEU  22          1HB       LEU  22  -2.727   3.468   3.122
  149   2HB   LEU  22          2HB       LEU  22  -3.668   2.837   4.448
  150    HG   LEU  22           HG       LEU  22  -0.726   2.170   4.023
  151   1HD1  LEU  22          1HD1      LEU  22  -0.304   3.830   5.824
  152   2HD1  LEU  22          2HD1      LEU  22  -2.017   4.293   5.784
  153   3HD1  LEU  22          3HD1      LEU  22  -0.983   4.572   4.367
  154   1HD2  LEU  22          1HD2      LEU  22  -1.875   0.513   5.415
  155   2HD2  LEU  22          2HD2      LEU  22  -2.571   1.801   6.426
  156   3HD2  LEU  22          3HD2      LEU  22  -0.818   1.505   6.417
  157    H    GLN  23           H        GLN  23  -3.470   2.774   0.924
  158    HA   GLN  23           HA       GLN  23  -6.325   3.106   0.931
  159   1HB   GLN  23          1HB       GLN  23  -4.619   3.475  -1.530
  160   2HB   GLN  23          2HB       GLN  23  -6.023   4.392  -1.003
  161   1HG   GLN  23          1HG       GLN  23  -3.228   4.533   0.197
  162   2HG   GLN  23          2HG       GLN  23  -3.942   5.665  -0.934
  163   1HE2  GLN  23          2HE2      GLN  23  -3.423   7.334   0.594
  164   2HE2  GLN  23          1HE2      GLN  23  -4.487   7.600   1.956
  165    H    GLN  24           H        GLN  24  -4.103   0.952  -0.805
  166    HA   GLN  24           HA       GLN  24  -5.955  -0.218  -2.584
  167   1HB   GLN  24          1HB       GLN  24  -3.497  -0.310  -2.769
  168   2HB   GLN  24          2HB       GLN  24  -3.432  -1.395  -1.383
  169   1HG   GLN  24          1HG       GLN  24  -4.485  -3.168  -2.568
  170   2HG   GLN  24          2HG       GLN  24  -5.109  -2.080  -3.811
  171   1HE2  GLN  24          2HE2      GLN  24  -4.180  -2.861  -5.696
  172   2HE2  GLN  24          1HE2      GLN  24  -2.461  -3.036  -5.931
  173    H    TYR  25           H        TYR  25  -4.956  -1.056   0.686
  174    HA   TYR  25           HA       TYR  25  -6.456  -3.452   0.963
  175   1HB   TYR  25          1HB       TYR  25  -4.757  -2.634   2.608
  176   2HB   TYR  25          2HB       TYR  25  -5.910  -1.427   3.168
  177    HD1  TYR  25           HD1      TYR  25  -7.697  -2.036   4.702
  178    HD2  TYR  25           HD2      TYR  25  -5.328  -5.091   2.774
  179    HE1  TYR  25           HE1      TYR  25  -8.715  -3.755   6.167
  180    HE2  TYR  25           HE2      TYR  25  -6.346  -6.797   4.215
  181    HH   TYR  25           HH       TYR  25  -7.398  -6.907   6.472
  182    H    LEU  26           H        LEU  26  -7.326  -0.132   1.834
  183    HA   LEU  26           HA       LEU  26 -10.060  -0.600   2.376
  184   1HB   LEU  26          1HB       LEU  26  -8.612   1.947   1.496
  185   2HB   LEU  26          2HB       LEU  26 -10.218   1.936   2.203
  186    HG   LEU  26           HG       LEU  26  -7.801   0.853   3.688
  187   1HD1  LEU  26          1HD1      LEU  26  -8.926   3.676   3.744
  188   2HD1  LEU  26          2HD1      LEU  26  -7.334   3.190   3.123
  189   3HD1  LEU  26          3HD1      LEU  26  -7.691   3.035   4.840
  190   1HD2  LEU  26          1HD2      LEU  26  -9.942   0.133   4.600
  191   2HD2  LEU  26          2HD2      LEU  26 -10.538   1.812   4.612
  192   3HD2  LEU  26          3HD2      LEU  26  -9.182   1.332   5.667
  193    H    ASN  27           H        ASN  27  -8.643  -0.708  -0.627
  194    HA   ASN  27           HA       ASN  27 -11.181   0.049  -1.970
  195   1HB   ASN  27          1HB       ASN  27  -8.293   0.419  -2.627
  196   2HB   ASN  27          2HB       ASN  27  -9.155  -0.327  -3.911
  197   1HD2  ASN  27          2HD2      ASN  27  -8.734   2.615  -2.113
  198   2HD2  ASN  27          1HD2      ASN  27  -9.752   3.638  -3.127
  199    H    VAL  28           H        VAL  28  -9.542  -2.676  -1.056
  200    HA   VAL  28           HA       VAL  28 -10.904  -4.312  -3.165
  201    HB   VAL  28           HB       VAL  28  -8.302  -4.558  -1.646
  202   1HG1  VAL  28          1HG1      VAL  28  -9.164  -6.822  -1.625
  203   2HG1  VAL  28          2HG1      VAL  28  -9.553  -6.730  -3.359
  204   3HG1  VAL  28          3HG1      VAL  28  -7.864  -6.703  -2.807
  205   1HG2  VAL  28          1HG2      VAL  28  -8.195  -3.188  -3.685
  206   2HG2  VAL  28          2HG2      VAL  28  -7.285  -4.683  -3.881
  207   3HG2  VAL  28          3HG2      VAL  28  -8.887  -4.534  -4.627
  208    H    VAL  29           H        VAL  29 -10.781  -3.540   0.231
  209    HA   VAL  29           HA       VAL  29 -12.120  -6.107   0.905
  210    HB   VAL  29           HB       VAL  29 -10.596  -4.057   2.408
  211   1HG1  VAL  29          1HG1      VAL  29 -12.837  -5.604   3.809
  212   2HG1  VAL  29          2HG1      VAL  29 -11.482  -4.778   4.610
  213   3HG1  VAL  29          3HG1      VAL  29 -12.670  -3.830   3.719
  214   1HG2  VAL  29          1HG2      VAL  29 -11.057  -7.037   2.777
  215   2HG2  VAL  29          2HG2      VAL  29  -9.819  -6.354   1.735
  216   3HG2  VAL  29          3HG2      VAL  29  -9.743  -6.069   3.485
  217    H    THR  30           H        THR  30 -13.004  -2.678   1.327
  218    HA   THR  30           HA       THR  30 -15.681  -3.267   2.058
  219    HB   THR  30           HB       THR  30 -15.889  -0.804   1.367
  220    HG1  THR  30           HG1      THR  30 -13.829   0.197   1.020
  221   1HG2  THR  30          1HG2      THR  30 -14.616   0.020   3.309
  222   2HG2  THR  30          2HG2      THR  30 -13.667  -1.478   3.367
  223   3HG2  THR  30          3HG2      THR  30 -15.405  -1.509   3.732
  224    H    ARG  31           H        ARG  31 -14.084  -2.637  -1.034
  225    HA   ARG  31           HA       ARG  31 -16.288  -2.273  -2.656
  226   1HB   ARG  31          1HB       ARG  31 -13.823  -2.069  -3.240
  227   2HB   ARG  31          2HB       ARG  31 -13.803  -3.822  -3.500
  228   1HG   ARG  31          1HG       ARG  31 -15.594  -3.493  -5.273
  229   2HG   ARG  31          2HG       ARG  31 -15.469  -1.746  -4.992
  230   1HD   ARG  31          1HD       ARG  31 -13.007  -1.939  -5.573
  231   2HD   ARG  31          2HD       ARG  31 -13.311  -3.635  -6.011
  232    HE   ARG  31           HE       ARG  31 -15.055  -1.628  -7.254
  233   1HH1  ARG  31          1HH1      ARG  31 -12.040  -3.476  -7.714
  234   2HH1  ARG  31          2HH1      ARG  31 -12.180  -3.433  -9.453
  235   1HH2  ARG  31          1HH2      ARG  31 -15.022  -1.312  -9.466
  236   2HH2  ARG  31          2HH2      ARG  31 -13.701  -1.800 -10.423
  237    H    HIS  32           H        HIS  32 -15.295  -5.222  -1.264
  238    HA   HIS  32           HA       HIS  32 -16.916  -6.942  -3.031
  239   1HB   HIS  32          1HB       HIS  32 -15.140  -7.368  -0.614
  240   2HB   HIS  32          2HB       HIS  32 -16.356  -8.578  -0.988
  241    HD1  HIS  32           HD1      HIS  32 -15.600 -10.359  -2.711
  242    HD2  HIS  32           HD2      HIS  32 -13.699  -6.619  -3.081
  243    HE1  HIS  32           HE1      HIS  32 -13.933 -10.605  -4.609
  244    H    ARG  33           H        ARG  33 -17.092  -5.722   0.338
  245    HA   ARG  33           HA       ARG  33 -19.601  -6.976   0.884
  246   1HB   ARG  33          1HB       ARG  33 -17.967  -6.197   2.618
  247   2HB   ARG  33          2HB       ARG  33 -18.369  -4.523   2.227
  248   1HG   ARG  33          1HG       ARG  33 -19.590  -5.154   4.192
  249   2HG   ARG  33          2HG       ARG  33 -20.757  -5.007   2.871
  250   1HD   ARG  33          1HD       ARG  33 -20.806  -7.467   2.609
  251   2HD   ARG  33          2HD       ARG  33 -19.506  -7.612   3.808
  252    HE   ARG  33           HE       ARG  33 -22.078  -6.343   4.566
  253   1HH1  ARG  33          1HH1      ARG  33 -20.121  -9.298   4.648
  254   2HH1  ARG  33          2HH1      ARG  33 -20.814  -9.931   6.092
  255   1HH2  ARG  33          1HH2      ARG  33 -23.171  -7.245   6.383
  256   2HH2  ARG  33          2HH2      ARG  33 -22.613  -8.676   7.154
  257    H    TYR  34           H        TYR  34 -18.857  -3.496   0.147
  258    HA   TYR  34           HA       TYR  34 -21.675  -2.877  -0.096
  259   1HB   TYR  34          1HB       TYR  34 -19.191  -1.316  -0.912
  260   2HB   TYR  34          2HB       TYR  34 -20.833  -0.676  -0.891
  261    HD1  TYR  34           HD1      TYR  34 -22.159  -0.699   1.303
  262    HD2  TYR  34           HD2      TYR  34 -17.919  -1.395   1.116
  263    HE1  TYR  34           HE1      TYR  34 -21.997  -0.246   3.714
  264    HE2  TYR  34           HE2      TYR  34 -17.725  -0.941   3.554
  265    HH   TYR  34           HH       TYR  34 -20.601  -0.362   5.573
  266   1HN   NH2  35          1H        NH2  35 -22.541  -1.890  -2.115
  267   2HN   NH2  35          2H        NH2  35 -22.300  -2.801  -3.575
  268   2HN   ZAB  10          H         AZO  10   9.383   0.050   4.011
  269   2HA   ZAB  10          2HA       AZO  10  11.072  -0.719   2.064
  270   3HA   ZAB  10          3HA       AZO  10  10.421   0.924   2.141
  271    HG2  ZAB  10           HG2      AZO  10  13.352  -1.049   2.115
  272    HD2  ZAB  10           HD2      AZO  10  15.668  -0.204   2.438
  273    HE   ZAB  10           HE       AZO  10  16.035   2.074   3.337
  274    HG1  ZAB  10           HG1      AZO  10  11.765   2.646   3.641
  275    HJ2  ZAB  10           HJ2      AZO  10  16.979   6.062   3.499
  276    HK2  ZAB  10           HK2      AZO  10  17.935   6.817   1.343
  277    HL   ZAB  10           HL       AZO  10  16.819   6.259  -0.787
  278    HJ1  ZAB  10           HJ1      AZO  10  13.725   4.181   1.375
  279   2HM   ZAB  10          2HM       AZO  10  15.166   4.076  -1.648
  280   3HM   ZAB  10          3HM       AZO  10  13.587   4.246  -0.883
  Start of MODEL   11
    1   1H    GLY   1          H         GLY   1  10.548 -14.114 -11.412
    2   1HA   GLY   1          1HA       GLY   1   9.660 -15.859  -9.185
    3   2HA   GLY   1          2HA       GLY   1  11.332 -15.756  -9.786
    4    HA   PRO   2           HA       PRO   2  10.385 -12.486  -6.500
    5   1HB   PRO   2          1HB       PRO   2  11.548 -13.503  -4.251
    6   2HB   PRO   2          2HB       PRO   2   9.884 -13.922  -4.754
    7   1HG   PRO   2          1HG       PRO   2  12.429 -15.499  -5.249
    8   2HG   PRO   2          2HG       PRO   2  10.871 -16.095  -4.596
    9   1HD   PRO   2          1HD       PRO   2  11.537 -16.327  -7.236
   10   2HD   PRO   2          2HD       PRO   2   9.853 -16.036  -6.719
   11    H    SER   3           H        SER   3  11.878 -10.885  -5.909
   12    HA   SER   3           HA       SER   3  14.717 -11.136  -5.866
   13   1HB   SER   3          1HB       SER   3  13.422  -9.691  -8.227
   14   2HB   SER   3          2HB       SER   3  15.132  -9.594  -7.780
   15    HG   SER   3           HG       SER   3  14.477 -12.171  -7.938
   16    H    GLN   4           H        GLN   4  15.516  -9.102  -4.946
   17    HA   GLN   4           HA       GLN   4  15.327  -7.460  -3.395
   18   1HB   GLN   4          1HB       GLN   4  13.670  -6.252  -5.634
   19   2HB   GLN   4          2HB       GLN   4  14.431  -5.379  -4.300
   20   1HG   GLN   4          1HG       GLN   4  16.662  -6.295  -5.092
   21   2HG   GLN   4          2HG       GLN   4  15.817  -6.929  -6.521
   22   1HE2  GLN   4          2HE2      GLN   4  15.699  -5.514  -8.292
   23   2HE2  GLN   4          1HE2      GLN   4  15.664  -3.785  -8.141
   24    HA   PRO   5           HA       PRO   5  11.094  -8.386  -1.791
   25   1HB   PRO   5          1HB       PRO   5  11.710  -9.397   0.661
   26   2HB   PRO   5          2HB       PRO   5  11.761 -10.373  -0.834
   27   1HG   PRO   5          1HG       PRO   5  14.073  -9.095   0.630
   28   2HG   PRO   5          2HG       PRO   5  13.973 -10.716  -0.119
   29   1HD   PRO   5          1HD       PRO   5  15.109  -8.448  -1.301
   30   2HD   PRO   5          2HD       PRO   5  14.511  -9.840  -2.218
   31    H    THR   6           H        THR   6   9.989  -6.709  -0.901
   32    HA   THR   6           HA       THR   6  11.377  -4.366   0.021
   33    HB   THR   6           HB       THR   6   8.403  -5.066   0.091
   34    HG1  THR   6           HG1      THR   6   8.391  -4.135  -1.960
   35   1HG2  THR   6          1HG2      THR   6   8.899  -2.937   1.277
   36   2HG2  THR   6          2HG2      THR   6   8.088  -2.635  -0.240
   37   3HG2  THR   6          3HG2      THR   6   9.843  -2.366  -0.123
   38    H    TYR   7           H        TYR   7  10.793  -3.291   2.166
   39    HA   TYR   7           HA       TYR   7  10.215  -5.060   4.392
   40   1HB   TYR   7          1HB       TYR   7  12.347  -4.231   5.530
   41   2HB   TYR   7          2HB       TYR   7  12.582  -5.409   4.261
   42    HD1  TYR   7           HD1      TYR   7  12.995  -1.826   5.180
   43    HD2  TYR   7           HD2      TYR   7  13.649  -4.824   2.142
   44    HE1  TYR   7           HE1      TYR   7  14.554  -0.305   4.026
   45    HE2  TYR   7           HE2      TYR   7  15.125  -3.285   0.927
   46    HH   TYR   7           HH       TYR   7  16.290  -1.348   1.078
   47    HA   PRO   8           HA       PRO   8   8.398  -1.245   5.586
   48   1HB   PRO   8          1HB       PRO   8   8.439  -1.283   8.335
   49   2HB   PRO   8          2HB       PRO   8   7.431  -2.379   7.339
   50   1HG   PRO   8          1HG       PRO   8  10.137  -2.948   8.575
   51   2HG   PRO   8          2HG       PRO   8   8.648  -3.945   8.650
   52   1HD   PRO   8          1HD       PRO   8  10.607  -4.439   6.838
   53   2HD   PRO   8          2HD       PRO   8   8.884  -4.634   6.404
   54    H    GLY   9           H        GLY   9   8.795   0.856   6.202
   55   1HA   GLY   9          1HA       GLY   9  10.090   2.488   7.557
   56   2HA   GLY   9          2HA       GLY   9  11.548   1.605   7.109
   57    HA   PRO  11           HA       PRO  11  12.821   6.495  -5.960
   58   1HB   PRO  11          1HB       PRO  11  11.397   4.308  -6.905
   59   2HB   PRO  11          2HB       PRO  11  13.182   4.417  -6.910
   60   1HG   PRO  11          1HG       PRO  11  11.358   3.058  -4.931
   61   2HG   PRO  11          2HG       PRO  11  12.864   2.431  -5.649
   62   1HD   PRO  11          1HD       PRO  11  12.813   3.525  -3.158
   63   2HD   PRO  11          2HD       PRO  11  14.212   3.745  -4.254
   64    H    VAL  12           H        VAL  12  10.839   7.254  -6.911
   65    HA   VAL  12           HA       VAL  12   8.841   7.955  -5.016
   66    HB   VAL  12           HB       VAL  12   8.836   8.122  -8.050
   67   1HG1  VAL  12          1HG1      VAL  12   6.529   8.311  -7.155
   68   2HG1  VAL  12          2HG1      VAL  12   7.066   9.587  -6.043
   69   3HG1  VAL  12          3HG1      VAL  12   7.090   9.839  -7.803
   70   1HG2  VAL  12          1HG2      VAL  12   9.507  10.476  -7.677
   71   2HG2  VAL  12          2HG2      VAL  12   9.561  10.190  -5.925
   72   3HG2  VAL  12          3HG2      VAL  12  10.702   9.380  -7.016
   73    H    GLU  13           H        GLU  13   9.095   5.210  -7.300
   74    HA   GLU  13           HA       GLU  13   6.373   4.422  -7.151
   75   1HB   GLU  13          1HB       GLU  13   8.088   3.477  -8.723
   76   2HB   GLU  13          2HB       GLU  13   8.786   2.569  -7.396
   77   1HG   GLU  13          1HG       GLU  13   5.837   2.180  -7.689
   78   2HG   GLU  13          2HG       GLU  13   6.702   1.797  -9.153
   79    H    ASP  14           H        ASP  14   9.150   3.742  -4.990
   80    HA   ASP  14           HA       ASP  14   7.729   2.034  -3.184
   81   1HB   ASP  14          1HB       ASP  14  10.141   1.890  -3.286
   82   2HB   ASP  14          2HB       ASP  14  10.309   3.608  -2.905
   83    H    LEU  15           H        LEU  15   8.593   5.461  -3.063
   84    HA   LEU  15           HA       LEU  15   7.594   6.025  -0.498
   85   1HB   LEU  15          1HB       LEU  15   9.060   7.551  -1.726
   86   2HB   LEU  15          2HB       LEU  15   7.844   7.742  -3.000
   87    HG   LEU  15           HG       LEU  15   6.304   8.761  -1.400
   88   1HD1  LEU  15          1HD1      LEU  15   7.176   9.584   0.815
   89   2HD1  LEU  15          2HD1      LEU  15   8.644   8.616   0.547
   90   3HD1  LEU  15          3HD1      LEU  15   7.079   7.825   0.749
   91   1HD2  LEU  15          1HD2      LEU  15   7.447  10.934  -1.204
   92   2HD2  LEU  15          2HD2      LEU  15   7.696  10.181  -2.791
   93   3HD2  LEU  15          3HD2      LEU  15   8.996  10.141  -1.585
   94    H    ILE  16           H        ILE  16   5.965   6.075  -3.677
   95    HA   ILE  16           HA       ILE  16   3.410   6.918  -2.525
   96    HB   ILE  16           HB       ILE  16   4.212   5.920  -5.284
   97   1HG1  ILE  16          1HG1      ILE  16   5.195   8.080  -4.930
   98   2HG1  ILE  16          2HG1      ILE  16   3.803   8.293  -5.966
   99   1HG2  ILE  16          1HG2      ILE  16   1.871   5.392  -4.941
  100   2HG2  ILE  16          2HG2      ILE  16   1.544   7.001  -4.313
  101   3HG2  ILE  16          3HG2      ILE  16   1.979   6.787  -6.025
  102   1HD1  ILE  16          1HD1      ILE  16   3.836  10.112  -4.443
  103   2HD1  ILE  16          2HD1      ILE  16   2.530   9.062  -3.859
  104   3HD1  ILE  16          3HD1      ILE  16   4.120   9.065  -3.051
  105    H    ARG  17           H        ARG  17   4.814   3.768  -3.649
  106    HA   ARG  17           HA       ARG  17   2.486   2.260  -3.159
  107   1HB   ARG  17          1HB       ARG  17   4.410   1.450  -4.421
  108   2HB   ARG  17          2HB       ARG  17   5.382   1.383  -2.936
  109   1HG   ARG  17          1HG       ARG  17   3.805  -0.291  -2.012
  110   2HG   ARG  17          2HG       ARG  17   2.816  -0.191  -3.470
  111   1HD   ARG  17          1HD       ARG  17   5.780  -0.916  -3.512
  112   2HD   ARG  17          2HD       ARG  17   4.522  -2.134  -3.320
  113    HE   ARG  17           HE       ARG  17   5.275  -0.737  -5.763
  114   1HH1  ARG  17          1HH1      ARG  17   2.608  -2.501  -4.162
  115   2HH1  ARG  17          2HH1      ARG  17   1.839  -2.974  -5.615
  116   1HH2  ARG  17          1HH2      ARG  17   4.394  -1.390  -7.635
  117   2HH2  ARG  17          2HH2      ARG  17   2.995  -2.450  -7.707
  118    H    PHE  18           H        PHE  18   5.115   3.154  -0.872
  119    HA   PHE  18           HA       PHE  18   4.122   1.609   1.248
  120   1HB   PHE  18          1HB       PHE  18   6.438   2.601   0.967
  121   2HB   PHE  18          2HB       PHE  18   5.785   4.126   1.550
  122    HD1  PHE  18           HD1      PHE  18   5.530   4.461   3.938
  123    HD2  PHE  18           HD2      PHE  18   6.249   0.491   2.421
  124    HE1  PHE  18           HE1      PHE  18   5.766   3.626   6.248
  125    HE2  PHE  18           HE2      PHE  18   6.483  -0.342   4.739
  126    HZ   PHE  18           HZ       PHE  18   6.238   1.229   6.660
  127    H    TYR  19           H        TYR  19   2.392   3.987  -0.126
  128    HA   TYR  19           HA       TYR  19   0.938   4.697   2.381
  129   1HB   TYR  19          1HB       TYR  19   2.330   6.518   0.970
  130   2HB   TYR  19          2HB       TYR  19   0.894   6.514  -0.004
  131    HD1  TYR  19           HD1      TYR  19  -1.426   6.610   1.439
  132    HD2  TYR  19           HD2      TYR  19   2.416   8.025   2.805
  133    HE1  TYR  19           HE1      TYR  19  -2.538   7.973   3.164
  134    HE2  TYR  19           HE2      TYR  19   1.308   9.373   4.543
  135    HH   TYR  19           HH       TYR  19  -0.737   9.679   5.701
  136    H    ASN  20           H        ASN  20   0.918   4.032  -1.080
  137    HA   ASN  20           HA       ASN  20  -1.923   3.906  -1.454
  138   1HB   ASN  20          1HB       ASN  20   0.489   2.979  -3.020
  139   2HB   ASN  20          2HB       ASN  20  -1.106   2.398  -3.447
  140   1HD2  ASN  20          2HD2      ASN  20  -1.460   3.396  -5.337
  141   2HD2  ASN  20          1HD2      ASN  20  -1.617   5.123  -5.528
  142    H    ASP  21           H        ASP  21   0.425   1.534  -0.189
  143    HA   ASP  21           HA       ASP  21  -1.095  -0.833  -0.671
  144   1HB   ASP  21          1HB       ASP  21   1.285  -0.756  -0.051
  145   2HB   ASP  21          2HB       ASP  21   0.870  -0.190   1.559
  146    H    LEU  22           H        LEU  22  -1.020   1.443   2.125
  147    HA   LEU  22           HA       LEU  22  -3.052   0.199   3.646
  148   1HB   LEU  22          1HB       LEU  22  -2.069   3.059   3.427
  149   2HB   LEU  22          2HB       LEU  22  -3.445   2.679   4.456
  150    HG   LEU  22           HG       LEU  22  -0.776   1.238   4.741
  151   1HD1  LEU  22          1HD1      LEU  22  -0.454   3.668   5.083
  152   2HD1  LEU  22          2HD1      LEU  22  -0.276   2.762   6.585
  153   3HD1  LEU  22          3HD1      LEU  22  -1.775   3.677   6.269
  154   1HD2  LEU  22          1HD2      LEU  22  -2.614   0.035   5.767
  155   2HD2  LEU  22          2HD2      LEU  22  -3.212   1.506   6.549
  156   3HD2  LEU  22          3HD2      LEU  22  -1.656   0.788   7.035
  157    H    GLN  23           H        GLN  23  -3.261   2.461   0.931
  158    HA   GLN  23           HA       GLN  23  -6.137   2.823   1.141
  159   1HB   GLN  23          1HB       GLN  23  -4.293   3.177  -1.270
  160   2HB   GLN  23          2HB       GLN  23  -6.011   3.523  -1.235
  161   1HG   GLN  23          1HG       GLN  23  -5.549   5.195   0.613
  162   2HG   GLN  23          2HG       GLN  23  -3.817   4.978   0.274
  163   1HE2  GLN  23          2HE2      GLN  23  -3.132   6.857  -1.043
  164   2HE2  GLN  23          1HE2      GLN  23  -4.243   7.590  -2.174
  165    H    GLN  24           H        GLN  24  -3.992   0.474  -0.504
  166    HA   GLN  24           HA       GLN  24  -5.880  -0.699  -2.217
  167   1HB   GLN  24          1HB       GLN  24  -3.282  -0.974  -2.051
  168   2HB   GLN  24          2HB       GLN  24  -3.654  -2.271  -0.915
  169   1HG   GLN  24          1HG       GLN  24  -4.992  -3.401  -2.699
  170   2HG   GLN  24          2HG       GLN  24  -4.569  -2.090  -3.813
  171   1HE2  GLN  24          2HE2      GLN  24  -2.682  -2.407  -5.070
  172   2HE2  GLN  24          1HE2      GLN  24  -1.441  -3.569  -4.656
  173    H    TYR  25           H        TYR  25  -5.006  -1.400   1.119
  174    HA   TYR  25           HA       TYR  25  -6.868  -3.546   1.573
  175   1HB   TYR  25          1HB       TYR  25  -4.760  -2.940   2.870
  176   2HB   TYR  25          2HB       TYR  25  -5.652  -1.612   3.595
  177    HD1  TYR  25           HD1      TYR  25  -7.212  -2.022   5.432
  178    HD2  TYR  25           HD2      TYR  25  -5.383  -5.323   3.320
  179    HE1  TYR  25           HE1      TYR  25  -8.001  -3.563   7.175
  180    HE2  TYR  25           HE2      TYR  25  -6.159  -6.864   5.097
  181    HH   TYR  25           HH       TYR  25  -7.794  -5.793   8.038
  182    H    LEU  26           H        LEU  26  -7.500  -0.229   1.148
  183    HA   LEU  26           HA       LEU  26 -10.159  -0.441   2.485
  184   1HB   LEU  26          1HB       LEU  26  -8.338   1.900   1.823
  185   2HB   LEU  26          2HB       LEU  26 -10.023   2.133   2.300
  186    HG   LEU  26           HG       LEU  26  -7.986   0.669   3.965
  187   1HD1  LEU  26          1HD1      LEU  26  -8.872   3.605   4.094
  188   2HD1  LEU  26          2HD1      LEU  26  -7.243   2.994   3.679
  189   3HD1  LEU  26          3HD1      LEU  26  -7.872   2.798   5.318
  190   1HD2  LEU  26          1HD2      LEU  26 -10.332   0.147   4.582
  191   2HD2  LEU  26          2HD2      LEU  26 -10.721   1.881   4.662
  192   3HD2  LEU  26          3HD2      LEU  26  -9.608   1.150   5.834
  193    H    ASN  27           H        ASN  27  -8.704  -0.627  -0.480
  194    HA   ASN  27           HA       ASN  27 -11.073   0.374  -1.922
  195   1HB   ASN  27          1HB       ASN  27  -8.079   0.253  -2.458
  196   2HB   ASN  27          2HB       ASN  27  -9.112  -0.071  -3.774
  197   1HD2  ASN  27          2HD2      ASN  27  -8.106   2.431  -1.501
  198   2HD2  ASN  27          1HD2      ASN  27  -8.669   3.782  -2.463
  199    H    VAL  28           H        VAL  28  -9.444  -2.465  -1.051
  200    HA   VAL  28           HA       VAL  28 -10.874  -3.962  -3.197
  201    HB   VAL  28           HB       VAL  28  -8.349  -4.520  -1.618
  202   1HG1  VAL  28          1HG1      VAL  28  -8.058  -6.570  -3.006
  203   2HG1  VAL  28          2HG1      VAL  28  -9.406  -6.703  -1.882
  204   3HG1  VAL  28          3HG1      VAL  28  -9.720  -6.380  -3.604
  205   1HG2  VAL  28          1HG2      VAL  28  -8.156  -2.939  -3.529
  206   2HG2  VAL  28          2HG2      VAL  28  -7.299  -4.436  -3.859
  207   3HG2  VAL  28          3HG2      VAL  28  -8.890  -4.152  -4.602
  208    H    VAL  29           H        VAL  29 -10.757  -3.284   0.189
  209    HA   VAL  29           HA       VAL  29 -11.918  -5.884   0.932
  210    HB   VAL  29           HB       VAL  29 -11.187  -3.419   2.497
  211   1HG1  VAL  29          1HG1      VAL  29 -12.544  -5.930   3.575
  212   2HG1  VAL  29          2HG1      VAL  29 -11.773  -4.688   4.569
  213   3HG1  VAL  29          3HG1      VAL  29 -13.204  -4.282   3.630
  214   1HG2  VAL  29          1HG2      VAL  29 -10.237  -6.327   2.557
  215   2HG2  VAL  29          2HG2      VAL  29  -9.377  -4.975   1.791
  216   3HG2  VAL  29          3HG2      VAL  29  -9.593  -4.997   3.541
  217    H    THR  30           H        THR  30 -13.195  -2.576   1.271
  218    HA   THR  30           HA       THR  30 -15.843  -3.495   1.572
  219    HB   THR  30           HB       THR  30 -16.110  -0.847   0.925
  220    HG1  THR  30           HG1      THR  30 -14.238   0.122   1.982
  221   1HG2  THR  30          1HG2      THR  30 -15.209  -2.107   3.536
  222   2HG2  THR  30          2HG2      THR  30 -16.885  -1.908   2.980
  223   3HG2  THR  30          3HG2      THR  30 -15.917  -0.488   3.392
  224    H    ARG  31           H        ARG  31 -14.119  -2.521  -1.382
  225    HA   ARG  31           HA       ARG  31 -16.476  -2.497  -2.976
  226   1HB   ARG  31          1HB       ARG  31 -13.557  -2.852  -3.671
  227   2HB   ARG  31          2HB       ARG  31 -14.799  -3.121  -4.892
  228   1HG   ARG  31          1HG       ARG  31 -15.706  -0.809  -4.402
  229   2HG   ARG  31          2HG       ARG  31 -14.272  -0.553  -3.400
  230   1HD   ARG  31          1HD       ARG  31 -13.765   0.378  -5.547
  231   2HD   ARG  31          2HD       ARG  31 -12.855  -1.119  -5.426
  232    HE   ARG  31           HE       ARG  31 -14.026  -2.021  -7.136
  233   1HH1  ARG  31          1HH1      ARG  31 -15.670   1.051  -6.292
  234   2HH1  ARG  31          2HH1      ARG  31 -16.590   1.077  -7.750
  235   1HH2  ARG  31          1HH2      ARG  31 -15.246  -1.861  -9.081
  236   2HH2  ARG  31          2HH2      ARG  31 -16.305  -0.524  -9.354
  237    H    HIS  32           H        HIS  32 -14.970  -5.232  -1.612
  238    HA   HIS  32           HA       HIS  32 -16.426  -7.083  -3.432
  239   1HB   HIS  32          1HB       HIS  32 -14.063  -7.407  -1.560
  240   2HB   HIS  32          2HB       HIS  32 -14.992  -8.787  -2.084
  241    HD1  HIS  32           HD1      HIS  32 -11.994  -8.569  -2.893
  242    HD2  HIS  32           HD2      HIS  32 -15.280  -7.426  -5.262
  243    HE1  HIS  32           HE1      HIS  32 -11.148  -8.481  -5.290
  244    H    ARG  33           H        ARG  33 -17.230  -5.343  -0.866
  245    HA   ARG  33           HA       ARG  33 -18.958  -7.449   0.318
  246   1HB   ARG  33          1HB       ARG  33 -17.425  -5.321   1.876
  247   2HB   ARG  33          2HB       ARG  33 -18.608  -6.448   2.544
  248   1HG   ARG  33          1HG       ARG  33 -16.025  -7.395   1.231
  249   2HG   ARG  33          2HG       ARG  33 -16.126  -6.910   2.916
  250   1HD   ARG  33          1HD       ARG  33 -16.298  -9.278   2.812
  251   2HD   ARG  33          2HD       ARG  33 -17.844  -8.614   3.340
  252    HE   ARG  33           HE       ARG  33 -17.433  -9.284   0.461
  253   1HH1  ARG  33          1HH1      ARG  33 -19.226  -9.957   3.488
  254   2HH1  ARG  33          2HH1      ARG  33 -19.941 -11.407   2.841
  255   1HH2  ARG  33          1HH2      ARG  33 -18.524 -11.118  -0.383
  256   2HH2  ARG  33          2HH2      ARG  33 -19.768 -11.894   0.545
  257    H    TYR  34           H        TYR  34 -18.735  -4.064   1.284
  258    HA   TYR  34           HA       TYR  34 -21.429  -3.462   0.857
  259   1HB   TYR  34          1HB       TYR  34 -19.746  -2.272   2.315
  260   2HB   TYR  34          2HB       TYR  34 -19.005  -1.608   0.877
  261    HD1  TYR  34           HD1      TYR  34 -19.395   0.693   0.783
  262    HD2  TYR  34           HD2      TYR  34 -22.635  -1.874   2.016
  263    HE1  TYR  34           HE1      TYR  34 -20.794   2.678   1.219
  264    HE2  TYR  34           HE2      TYR  34 -24.035   0.108   2.436
  265    HH   TYR  34           HH       TYR  34 -23.483   3.198   1.603
  266   1HN   NH2  35          1H        NH2  35 -18.623  -3.177  -1.331
  267   2HN   NH2  35          2H        NH2  35 -19.540  -2.638  -2.735
  268   2HN   ZAB  10          H         AZO  10  10.667   1.155   4.304
  269   2HA   ZAB  10          2HA       AZO  10  10.841   2.154   2.239
  270   3HA   ZAB  10          3HA       AZO  10  10.014   3.570   2.927
  271    HG2  ZAB  10           HG2      AZO  10  13.381   1.844   3.112
  272    HD2  ZAB  10           HD2      AZO  10  15.519   3.091   3.234
  273    HE   ZAB  10           HE       AZO  10  15.515   5.587   3.231
  274    HG1  ZAB  10           HG1      AZO  10  11.225   5.568   2.992
  275    HJ2  ZAB  10           HJ2      AZO  10  15.519   9.615   1.456
  276    HK2  ZAB  10           HK2      AZO  10  16.452   9.562  -0.842
  277    HL   ZAB  10           HL       AZO  10  15.755   7.777  -2.423
  278    HJ1  ZAB  10           HJ1      AZO  10  13.134   6.131   0.558
  279   2HM   ZAB  10          2HM       AZO  10  14.836   5.220  -2.306
  280   3HM   ZAB  10          3HM       AZO  10  13.279   5.089  -1.473
  Start of MODEL   12
    1   1H    GLY   1          H         GLY   1   6.227 -18.808  14.322
    2   1HA   GLY   1          1HA       GLY   1   3.817 -18.882  14.244
    3   2HA   GLY   1          2HA       GLY   1   3.793 -17.535  15.418
    4    HA   PRO   2           HA       PRO   2   3.544 -15.311  11.434
    5   1HB   PRO   2          1HB       PRO   2   2.602 -12.938  12.372
    6   2HB   PRO   2          2HB       PRO   2   1.549 -14.371  12.162
    7   1HG   PRO   2          1HG       PRO   2   2.895 -13.404  14.696
    8   2HG   PRO   2          2HG       PRO   2   1.195 -13.906  14.483
    9   1HD   PRO   2          1HD       PRO   2   3.114 -15.575  15.476
   10   2HD   PRO   2          2HD       PRO   2   1.801 -16.188  14.417
   11    H    SER   3           H        SER   3   5.701 -15.032  10.875
   12    HA   SER   3           HA       SER   3   7.587 -13.843  12.724
   13   1HB   SER   3          1HB       SER   3   7.832 -14.442   9.739
   14   2HB   SER   3          2HB       SER   3   9.162 -14.089  10.860
   15    HG   SER   3           HG       SER   3   9.110 -16.210  10.651
   16    H    GLN   4           H        GLN   4   8.760 -11.842  12.217
   17    HA   GLN   4           HA       GLN   4   7.343  -9.965  10.357
   18   1HB   GLN   4          1HB       GLN   4   6.612  -9.686  12.759
   19   2HB   GLN   4          2HB       GLN   4   8.286  -9.303  13.147
   20   1HG   GLN   4          1HG       GLN   4   7.857  -7.499  11.139
   21   2HG   GLN   4          2HG       GLN   4   6.208  -7.665  11.741
   22   1HE2  GLN   4          2HE2      GLN   4   5.704  -6.350  13.633
   23   2HE2  GLN   4          1HE2      GLN   4   6.972  -5.664  14.607
   24    HA   PRO   5           HA       PRO   5  11.976 -10.069   9.871
   25   1HB   PRO   5          1HB       PRO   5  12.281 -11.088   7.396
   26   2HB   PRO   5          2HB       PRO   5  11.994 -12.125   8.823
   27   1HG   PRO   5          1HG       PRO   5   9.947 -11.172   6.805
   28   2HG   PRO   5          2HG       PRO   5  10.208 -12.832   7.407
   29   1HD   PRO   5          1HD       PRO   5   8.310 -11.183   8.510
   30   2HD   PRO   5          2HD       PRO   5   9.240 -12.359   9.457
   31    H    THR   6           H        THR   6  12.320  -7.891   9.769
   32    HA   THR   6           HA       THR   6  11.127  -6.308   7.567
   33    HB   THR   6           HB       THR   6  12.149  -4.407   8.741
   34    HG1  THR   6           HG1      THR   6  13.028  -6.340  10.618
   35   1HG2  THR   6          1HG2      THR   6  10.400  -6.148  10.514
   36   2HG2  THR   6          2HG2      THR   6   9.896  -4.902   9.342
   37   3HG2  THR   6          3HG2      THR   6  10.760  -4.440  10.805
   38    H    TYR   7           H        TYR   7  12.559  -5.005   6.222
   39    HA   TYR   7           HA       TYR   7  15.367  -5.903   5.978
   40   1HB   TYR   7          1HB       TYR   7  13.224  -6.163   3.844
   41   2HB   TYR   7          2HB       TYR   7  14.913  -5.937   3.443
   42    HD1  TYR   7           HD1      TYR   7  12.536  -8.316   5.028
   43    HD2  TYR   7           HD2      TYR   7  16.545  -7.648   3.670
   44    HE1  TYR   7           HE1      TYR   7  12.945 -10.754   5.110
   45    HE2  TYR   7           HE2      TYR   7  17.011 -10.062   3.794
   46    HH   TYR   7           HH       TYR   7  14.595 -12.398   5.042
   47    HA   PRO   8           HA       PRO   8  14.396  -1.335   5.690
   48   1HB   PRO   8          1HB       PRO   8  16.117  -0.398   7.572
   49   2HB   PRO   8          2HB       PRO   8  14.534  -1.108   8.027
   50   1HG   PRO   8          1HG       PRO   8  17.245  -2.459   7.983
   51   2HG   PRO   8          2HG       PRO   8  16.040  -2.462   9.316
   52   1HD   PRO   8          1HD       PRO   8  16.266  -4.499   7.491
   53   2HD   PRO   8          2HD       PRO   8  14.686  -4.017   8.189
   54    H    GLY   9           H        GLY   9  15.962   0.361   4.928
   55   1HA   GLY   9          1HA       GLY   9  18.689   0.173   4.524
   56   2HA   GLY   9          2HA       GLY   9  18.020  -0.844   3.242
   57    HA   PRO  11           HA       PRO  11  14.143   7.931  -1.816
   58   1HB   PRO  11          1HB       PRO  11  13.437   5.328  -1.307
   59   2HB   PRO  11          2HB       PRO  11  15.116   5.851  -1.623
   60   1HG   PRO  11          1HG       PRO  11  13.813   5.314   1.047
   61   2HG   PRO  11          2HG       PRO  11  15.435   4.833   0.465
   62   1HD   PRO  11          1HD       PRO  11  15.016   7.032   2.065
   63   2HD   PRO  11          2HD       PRO  11  16.318   6.963   0.843
   64    H    VAL  12           H        VAL  12  12.329   9.237  -1.888
   65    HA   VAL  12           HA       VAL  12  10.106   8.951  -0.036
   66    HB   VAL  12           HB       VAL  12  10.551  10.511  -2.621
   67   1HG1  VAL  12          1HG1      VAL  12   8.152  10.166  -2.529
   68   2HG1  VAL  12          2HG1      VAL  12   8.128  10.551  -0.796
   69   3HG1  VAL  12          3HG1      VAL  12   8.496  11.810  -1.993
   70   1HG2  VAL  12          1HG2      VAL  12  10.509  12.431  -0.985
   71   2HG2  VAL  12          2HG2      VAL  12  10.411  11.260   0.338
   72   3HG2  VAL  12          3HG2      VAL  12  11.848  11.305  -0.694
   73    H    GLU  13           H        GLU  13  11.004   7.433  -3.099
   74    HA   GLU  13           HA       GLU  13   8.441   6.547  -3.917
   75   1HB   GLU  13          1HB       GLU  13  11.107   5.090  -4.162
   76   2HB   GLU  13          2HB       GLU  13   9.652   4.793  -5.131
   77   1HG   GLU  13          1HG       GLU  13   9.811   7.174  -5.966
   78   2HG   GLU  13          2HG       GLU  13  11.359   7.323  -5.124
   79    H    ASP  14           H        ASP  14  10.644   5.336  -1.423
   80    HA   ASP  14           HA       ASP  14   9.309   2.854  -0.972
   81   1HB   ASP  14          1HB       ASP  14  11.481   4.439   0.325
   82   2HB   ASP  14          2HB       ASP  14  10.513   3.548   1.482
   83    H    LEU  15           H        LEU  15   8.463   6.115  -0.077
   84    HA   LEU  15           HA       LEU  15   6.728   5.300   2.139
   85   1HB   LEU  15          1HB       LEU  15   7.818   7.884   0.967
   86   2HB   LEU  15          2HB       LEU  15   6.250   7.896   1.711
   87    HG   LEU  15           HG       LEU  15   7.241   6.963   3.814
   88   1HD1  LEU  15          1HD1      LEU  15   9.865   7.355   2.305
   89   2HD1  LEU  15          2HD1      LEU  15   9.217   5.820   2.930
   90   3HD1  LEU  15          3HD1      LEU  15   9.737   7.076   4.055
   91   1HD2  LEU  15          1HD2      LEU  15   6.912   9.402   3.487
   92   2HD2  LEU  15          2HD2      LEU  15   8.543   9.527   2.793
   93   3HD2  LEU  15          3HD2      LEU  15   8.333   9.058   4.495
   94    H    ILE  16           H        ILE  16   6.673   6.680  -1.190
   95    HA   ILE  16           HA       ILE  16   3.925   7.060  -1.475
   96    HB   ILE  16           HB       ILE  16   6.031   6.236  -3.511
   97   1HG1  ILE  16          1HG1      ILE  16   6.495   8.426  -2.637
   98   2HG1  ILE  16          2HG1      ILE  16   5.874   8.599  -4.259
   99   1HG2  ILE  16          1HG2      ILE  16   3.936   5.561  -4.514
  100   2HG2  ILE  16          2HG2      ILE  16   3.179   7.108  -4.097
  101   3HG2  ILE  16          3HG2      ILE  16   4.496   7.032  -5.292
  102   1HD1  ILE  16          1HD1      ILE  16   4.452   9.214  -1.640
  103   2HD1  ILE  16          2HD1      ILE  16   4.907  10.318  -2.945
  104   3HD1  ILE  16          3HD1      ILE  16   3.601   9.154  -3.200
  105    H    ARG  17           H        ARG  17   5.654   4.067  -2.527
  106    HA   ARG  17           HA       ARG  17   3.216   2.693  -3.097
  107   1HB   ARG  17          1HB       ARG  17   5.908   1.506  -2.296
  108   2HB   ARG  17          2HB       ARG  17   4.572   0.647  -3.082
  109   1HG   ARG  17          1HG       ARG  17   4.755   2.388  -4.979
  110   2HG   ARG  17          2HG       ARG  17   6.282   2.892  -4.236
  111   1HD   ARG  17          1HD       ARG  17   5.575   0.195  -5.428
  112   2HD   ARG  17          2HD       ARG  17   6.783   1.353  -5.980
  113    HE   ARG  17           HE       ARG  17   6.972  -0.579  -3.787
  114   1HH1  ARG  17          1HH1      ARG  17   8.672   2.078  -5.457
  115   2HH1  ARG  17          2HH1      ARG  17  10.054   1.978  -4.393
  116   1HH2  ARG  17          1HH2      ARG  17   8.818  -0.931  -2.756
  117   2HH2  ARG  17          2HH2      ARG  17  10.251   0.020  -2.976
  118    H    PHE  18           H        PHE  18   5.189   2.661  -0.139
  119    HA   PHE  18           HA       PHE  18   3.712   0.865   1.366
  120   1HB   PHE  18          1HB       PHE  18   5.946   1.776   1.823
  121   2HB   PHE  18          2HB       PHE  18   5.253   3.343   2.222
  122    HD1  PHE  18           HD1      PHE  18   4.467   3.787   4.442
  123    HD2  PHE  18           HD2      PHE  18   5.480  -0.223   3.229
  124    HE1  PHE  18           HE1      PHE  18   4.399   3.048   6.790
  125    HE2  PHE  18           HE2      PHE  18   5.361  -0.963   5.608
  126    HZ   PHE  18           HZ       PHE  18   4.856   0.666   7.388
  127    H    TYR  19           H        TYR  19   2.986   4.246   0.690
  128    HA   TYR  19           HA       TYR  19   0.832   4.413   2.661
  129   1HB   TYR  19          1HB       TYR  19   2.505   6.248   1.614
  130   2HB   TYR  19          2HB       TYR  19   1.232   6.420   0.439
  131    HD1  TYR  19           HD1      TYR  19  -0.856   7.553   1.078
  132    HD2  TYR  19           HD2      TYR  19   2.159   6.635   4.033
  133    HE1  TYR  19           HE1      TYR  19  -1.906   9.150   2.638
  134    HE2  TYR  19           HE2      TYR  19   1.123   8.237   5.608
  135    HH   TYR  19           HH       TYR  19  -0.630   9.702   5.968
  136    H    ASN  20           H        ASN  20   1.244   4.079  -0.848
  137    HA   ASN  20           HA       ASN  20  -1.522   4.330  -1.561
  138   1HB   ASN  20          1HB       ASN  20   0.552   4.501  -3.085
  139   2HB   ASN  20          2HB       ASN  20   0.567   2.724  -3.101
  140   1HD2  ASN  20          2HD2      ASN  20   0.192   2.997  -5.529
  141   2HD2  ASN  20          1HD2      ASN  20  -1.359   3.604  -6.089
  142    H    ASP  21           H        ASP  21   0.426   1.666  -0.385
  143    HA   ASP  21           HA       ASP  21  -1.214  -0.565  -1.059
  144   1HB   ASP  21          1HB       ASP  21   1.106  -0.745  -0.312
  145   2HB   ASP  21          2HB       ASP  21   0.684  -0.085   1.270
  146    H    LEU  22           H        LEU  22  -1.225   1.696   1.709
  147    HA   LEU  22           HA       LEU  22  -3.225   0.460   3.293
  148   1HB   LEU  22          1HB       LEU  22  -2.660   3.435   2.910
  149   2HB   LEU  22          2HB       LEU  22  -3.663   2.793   4.170
  150    HG   LEU  22           HG       LEU  22  -0.748   1.976   3.909
  151   1HD1  LEU  22          1HD1      LEU  22  -0.874   4.438   4.111
  152   2HD1  LEU  22          2HD1      LEU  22  -0.261   3.707   5.600
  153   3HD1  LEU  22          3HD1      LEU  22  -1.945   4.275   5.515
  154   1HD2  LEU  22          1HD2      LEU  22  -2.623   2.025   6.324
  155   2HD2  LEU  22          2HD2      LEU  22  -0.978   1.369   6.259
  156   3HD2  LEU  22          3HD2      LEU  22  -2.299   0.581   5.371
  157    H    GLN  23           H        GLN  23  -3.512   2.828   0.620
  158    HA   GLN  23           HA       GLN  23  -6.389   3.040   0.836
  159   1HB   GLN  23          1HB       GLN  23  -4.471   3.708  -1.441
  160   2HB   GLN  23          2HB       GLN  23  -6.219   3.959  -1.509
  161   1HG   GLN  23          1HG       GLN  23  -6.017   5.418   0.543
  162   2HG   GLN  23          2HG       GLN  23  -4.261   5.260   0.426
  163   1HE2  GLN  23          2HE2      GLN  23  -3.824   7.521  -0.066
  164   2HE2  GLN  23          1HE2      GLN  23  -4.331   8.207  -1.582
  165    H    GLN  24           H        GLN  24  -4.232   0.742  -0.907
  166    HA   GLN  24           HA       GLN  24  -6.427  -0.285  -2.457
  167   1HB   GLN  24          1HB       GLN  24  -3.973  -0.503  -3.019
  168   2HB   GLN  24          2HB       GLN  24  -3.904  -1.837  -1.855
  169   1HG   GLN  24          1HG       GLN  24  -5.497  -3.134  -3.134
  170   2HG   GLN  24          2HG       GLN  24  -6.033  -1.726  -4.037
  171   1HE2  GLN  24          2HE2      GLN  24  -2.897  -3.600  -3.542
  172   2HE2  GLN  24          1HE2      GLN  24  -2.456  -3.411  -5.216
  173    H    TYR  25           H        TYR  25  -4.968  -1.147   0.620
  174    HA   TYR  25           HA       TYR  25  -6.566  -3.425   1.277
  175   1HB   TYR  25          1HB       TYR  25  -4.408  -2.588   2.371
  176   2HB   TYR  25          2HB       TYR  25  -5.334  -1.316   3.109
  177    HD1  TYR  25           HD1      TYR  25  -6.324  -1.628   5.214
  178    HD2  TYR  25           HD2      TYR  25  -4.976  -5.058   2.958
  179    HE1  TYR  25           HE1      TYR  25  -6.610  -3.028   7.193
  180    HE2  TYR  25           HE2      TYR  25  -5.319  -6.495   4.943
  181    HH   TYR  25           HH       TYR  25  -5.737  -6.471   7.354
  182    H    LEU  26           H        LEU  26  -7.522  -0.177   0.949
  183    HA   LEU  26           HA       LEU  26 -10.035  -0.634   2.456
  184   1HB   LEU  26          1HB       LEU  26  -8.578   1.890   1.545
  185   2HB   LEU  26          2HB       LEU  26 -10.183   1.924   2.264
  186    HG   LEU  26           HG       LEU  26  -7.834   0.661   3.708
  187   1HD1  LEU  26          1HD1      LEU  26  -7.123   2.897   3.259
  188   2HD1  LEU  26          2HD1      LEU  26  -7.724   2.900   4.923
  189   3HD1  LEU  26          3HD1      LEU  26  -8.731   3.549   3.591
  190   1HD2  LEU  26          1HD2      LEU  26  -9.991   0.058   4.639
  191   2HD2  LEU  26          2HD2      LEU  26 -10.576   1.724   4.543
  192   3HD2  LEU  26          3HD2      LEU  26  -9.303   1.290   5.700
  193    H    ASN  27           H        ASN  27  -8.833  -0.723  -0.642
  194    HA   ASN  27           HA       ASN  27 -11.440  -0.077  -1.801
  195   1HB   ASN  27          1HB       ASN  27  -8.573   0.318  -2.619
  196   2HB   ASN  27          2HB       ASN  27  -9.730  -0.071  -3.826
  197   1HD2  ASN  27          2HD2      ASN  27  -8.497   2.410  -1.880
  198   2HD2  ASN  27          1HD2      ASN  27  -9.746   3.624  -2.072
  199    H    VAL  28           H        VAL  28  -9.359  -2.700  -1.139
  200    HA   VAL  28           HA       VAL  28 -10.881  -4.375  -3.085
  201    HB   VAL  28           HB       VAL  28  -8.241  -4.842  -1.623
  202   1HG1  VAL  28          1HG1      VAL  28  -8.044  -6.853  -3.153
  203   2HG1  VAL  28          2HG1      VAL  28  -9.285  -7.016  -1.912
  204   3HG1  VAL  28          3HG1      VAL  28  -9.747  -6.631  -3.590
  205   1HG2  VAL  28          1HG2      VAL  28  -7.282  -4.734  -3.915
  206   2HG2  VAL  28          2HG2      VAL  28  -8.910  -4.375  -4.555
  207   3HG2  VAL  28          3HG2      VAL  28  -8.078  -3.217  -3.492
  208    H    VAL  29           H        VAL  29 -10.529  -3.614   0.298
  209    HA   VAL  29           HA       VAL  29 -11.799  -6.073   1.149
  210    HB   VAL  29           HB       VAL  29 -10.809  -3.597   2.547
  211   1HG1  VAL  29          1HG1      VAL  29 -12.767  -4.381   3.854
  212   2HG1  VAL  29          2HG1      VAL  29 -12.157  -6.051   3.802
  213   3HG1  VAL  29          3HG1      VAL  29 -11.277  -4.794   4.697
  214   1HG2  VAL  29          1HG2      VAL  29  -9.109  -5.188   1.751
  215   2HG2  VAL  29          2HG2      VAL  29  -9.193  -5.185   3.510
  216   3HG2  VAL  29          3HG2      VAL  29  -9.932  -6.517   2.598
  217    H    THR  30           H        THR  30 -12.812  -2.675   1.512
  218    HA   THR  30           HA       THR  30 -15.487  -3.387   1.943
  219    HB   THR  30           HB       THR  30 -15.433  -0.701   0.978
  220    HG1  THR  30           HG1      THR  30 -13.692   0.114   1.680
  221   1HG2  THR  30          1HG2      THR  30 -15.929  -0.131   3.294
  222   2HG2  THR  30          2HG2      THR  30 -15.415  -1.750   3.835
  223   3HG2  THR  30          3HG2      THR  30 -16.855  -1.555   2.802
  224    H    ARG  31           H        ARG  31 -14.001  -2.497  -1.160
  225    HA   ARG  31           HA       ARG  31 -16.396  -2.149  -2.572
  226   1HB   ARG  31          1HB       ARG  31 -14.100  -1.667  -3.415
  227   2HB   ARG  31          2HB       ARG  31 -13.841  -3.406  -3.664
  228   1HG   ARG  31          1HG       ARG  31 -15.675  -3.424  -5.347
  229   2HG   ARG  31          2HG       ARG  31 -15.996  -1.725  -5.005
  230   1HD   ARG  31          1HD       ARG  31 -14.711  -1.639  -6.964
  231   2HD   ARG  31          2HD       ARG  31 -13.576  -1.261  -5.670
  232    HE   ARG  31           HE       ARG  31 -12.302  -2.972  -6.328
  233   1HH1  ARG  31          1HH1      ARG  31 -15.566  -3.646  -7.531
  234   2HH1  ARG  31          2HH1      ARG  31 -15.138  -5.135  -8.315
  235   1HH2  ARG  31          1HH2      ARG  31 -11.646  -4.681  -7.726
  236   2HH2  ARG  31          2HH2      ARG  31 -12.825  -5.427  -8.725
  237    H    HIS  32           H        HIS  32 -15.084  -5.092  -1.467
  238    HA   HIS  32           HA       HIS  32 -16.927  -6.728  -3.110
  239   1HB   HIS  32          1HB       HIS  32 -14.323  -7.100  -2.605
  240   2HB   HIS  32          2HB       HIS  32 -14.964  -7.911  -1.180
  241    HD1  HIS  32           HD1      HIS  32 -16.698 -10.066  -1.821
  242    HD2  HIS  32           HD2      HIS  32 -14.370  -8.330  -4.877
  243    HE1  HIS  32           HE1      HIS  32 -16.686 -11.731  -3.742
  244    H    ARG  33           H        ARG  33 -17.515  -5.008  -0.449
  245    HA   ARG  33           HA       ARG  33 -19.268  -7.079   0.737
  246   1HB   ARG  33          1HB       ARG  33 -17.436  -5.366   2.467
  247   2HB   ARG  33          2HB       ARG  33 -18.682  -6.491   3.029
  248   1HG   ARG  33          1HG       ARG  33 -17.424  -8.346   1.831
  249   2HG   ARG  33          2HG       ARG  33 -16.136  -7.179   1.516
  250   1HD   ARG  33          1HD       ARG  33 -15.930  -6.879   4.014
  251   2HD   ARG  33          2HD       ARG  33 -17.088  -8.205   4.210
  252    HE   ARG  33           HE       ARG  33 -14.585  -8.508   2.606
  253   1HH1  ARG  33          1HH1      ARG  33 -16.618  -9.865   5.220
  254   2HH1  ARG  33          2HH1      ARG  33 -15.437 -11.072   5.618
  255   1HH2  ARG  33          1HH2      ARG  33 -13.141 -10.263   3.122
  256   2HH2  ARG  33          2HH2      ARG  33 -13.497 -11.221   4.527
  257    H    TYR  34           H        TYR  34 -18.447  -3.553   0.682
  258    HA   TYR  34           HA       TYR  34 -19.667  -1.745   0.795
  259   1HB   TYR  34          1HB       TYR  34 -20.759  -2.614  -1.238
  260   2HB   TYR  34          2HB       TYR  34 -21.982  -3.377  -0.229
  261    HD1  TYR  34           HD1      TYR  34 -23.954  -2.153   0.340
  262    HD2  TYR  34           HD2      TYR  34 -20.407  -0.022  -0.885
  263    HE1  TYR  34           HE1      TYR  34 -25.180  -0.016   0.530
  264    HE2  TYR  34           HE2      TYR  34 -21.616   2.125  -0.635
  265    HH   TYR  34           HH       TYR  34 -23.527   3.115   0.351
  266   1HN   NH2  35          1H        NH2  35 -19.128  -2.788   3.235
  267   2HN   NH2  35          2H        NH2  35 -20.566  -2.813   4.215
  268   2HN   ZAB  10          H         AZO  10  16.113   1.926   4.213
  269   2HA   ZAB  10          2HA       AZO  10  16.964   3.445   1.785
  270   3HA   ZAB  10          3HA       AZO  10  15.276   3.272   2.311
  271    HG2  ZAB  10           HG2      AZO  10  14.498   4.308   4.433
  272    HD2  ZAB  10           HD2      AZO  10  14.794   6.198   6.009
  273    HE   ZAB  10           HE       AZO  10  16.962   7.480   6.007
  274    HG1  ZAB  10           HG1      AZO  10  18.499   4.923   2.937
  275    HJ2  ZAB  10           HJ2      AZO  10  20.699   9.039   2.164
  276    HK2  ZAB  10           HK2      AZO  10  19.791  10.351   0.218
  277    HL   ZAB  10           HL       AZO  10  17.337  10.684   0.010
  278    HJ1  ZAB  10           HJ1      AZO  10  16.712   8.411   3.604
  279   2HM   ZAB  10          2HM       AZO  10  14.890   9.338   2.573
  280   3HM   ZAB  10          3HM       AZO  10  15.209  10.893   1.815
  Start of MODEL   13
    1   1H    GLY   1          H         GLY   1  31.215   9.088 -14.713
    2   1HA   GLY   1          1HA       GLY   1  33.253  10.753 -13.335
    3   2HA   GLY   1          2HA       GLY   1  31.486  10.930 -13.175
    4    HA   PRO   2           HA       PRO   2  32.825   8.116  -9.777
    5   1HB   PRO   2          1HB       PRO   2  31.101   8.969  -7.840
    6   2HB   PRO   2          2HB       PRO   2  32.584   9.880  -8.263
    7   1HG   PRO   2          1HG       PRO   2  29.747  10.382  -9.226
    8   2HG   PRO   2          2HG       PRO   2  30.931  11.570  -8.582
    9   1HD   PRO   2          1HD       PRO   2  30.536  11.160 -11.264
   10   2HD   PRO   2          2HD       PRO   2  32.135  11.602 -10.593
   11    H    SER   3           H        SER   3  31.699   6.250  -8.842
   12    HA   SER   3           HA       SER   3  29.337   5.445 -10.332
   13   1HB   SER   3          1HB       SER   3  31.308   3.934  -8.575
   14   2HB   SER   3          2HB       SER   3  29.933   3.213  -9.442
   15    HG   SER   3           HG       SER   3  31.989   3.143 -10.591
   16    H    GLN   4           H        GLN   4  27.328   5.243  -9.345
   17    HA   GLN   4           HA       GLN   4  27.146   5.434  -6.391
   18   1HB   GLN   4          1HB       GLN   4  25.600   7.156  -8.372
   19   2HB   GLN   4          2HB       GLN   4  25.349   7.093  -6.625
   20   1HG   GLN   4          1HG       GLN   4  27.661   7.955  -6.262
   21   2HG   GLN   4          2HG       GLN   4  27.909   8.040  -8.009
   22   1HE2  GLN   4          2HE2      GLN   4  26.778   9.799  -5.302
   23   2HE2  GLN   4          1HE2      GLN   4  26.053  11.118  -6.202
   24    HA   PRO   5           HA       PRO   5  24.713   2.124  -8.643
   25   1HB   PRO   5          1HB       PRO   5  25.497  -0.038  -7.095
   26   2HB   PRO   5          2HB       PRO   5  26.375   0.528  -8.552
   27   1HG   PRO   5          1HG       PRO   5  26.933   1.181  -5.647
   28   2HG   PRO   5          2HG       PRO   5  28.089   0.647  -6.903
   29   1HD   PRO   5          1HD       PRO   5  27.804   3.262  -6.261
   30   2HD   PRO   5          2HD       PRO   5  28.034   2.763  -7.963
   31    H    THR   6           H        THR   6  22.947   0.792  -7.871
   32    HA   THR   6           HA       THR   6  21.592   2.075  -5.612
   33    HB   THR   6           HB       THR   6  20.423   1.671  -7.699
   34    HG1  THR   6           HG1      THR   6  19.041  -0.048  -6.050
   35   1HG2  THR   6          1HG2      THR   6  19.613  -0.560  -8.362
   36   2HG2  THR   6          2HG2      THR   6  20.711  -1.297  -7.171
   37   3HG2  THR   6          3HG2      THR   6  21.355  -0.393  -8.555
   38    H    TYR   7           H        TYR   7  20.491   0.650  -4.010
   39    HA   TYR   7           HA       TYR   7  21.795  -1.886  -3.356
   40   1HB   TYR   7          1HB       TYR   7  22.143   0.665  -1.788
   41   2HB   TYR   7          2HB       TYR   7  22.088  -0.839  -0.907
   42    HD1  TYR   7           HD1      TYR   7  24.195   1.377  -2.760
   43    HD2  TYR   7           HD2      TYR   7  23.623  -2.814  -1.864
   44    HE1  TYR   7           HE1      TYR   7  26.478   0.896  -3.539
   45    HE2  TYR   7           HE2      TYR   7  25.870  -3.308  -2.732
   46    HH   TYR   7           HH       TYR   7  28.208  -1.692  -3.003
   47    HA   PRO   8           HA       PRO   8  17.743  -2.797  -2.116
   48   1HB   PRO   8          1HB       PRO   8  17.928  -4.620  -0.114
   49   2HB   PRO   8          2HB       PRO   8  18.584  -4.935  -1.753
   50   1HG   PRO   8          1HG       PRO   8  20.102  -3.977   0.687
   51   2HG   PRO   8          2HG       PRO   8  20.522  -5.325  -0.420
   52   1HD   PRO   8          1HD       PRO   8  21.555  -2.825  -0.666
   53   2HD   PRO   8          2HD       PRO   8  21.245  -3.842  -2.091
   54    H    GLY   9           H        GLY   9  16.027  -2.600  -0.642
   55   1HA   GLY   9          1HA       GLY   9  15.042  -2.211   1.460
   56   2HA   GLY   9          2HA       GLY   9  16.408  -1.193   1.943
   57    HA   PRO  11           HA       PRO  11  14.288   7.561  -3.868
   58   1HB   PRO  11          1HB       PRO  11  13.049   5.155  -3.531
   59   2HB   PRO  11          2HB       PRO  11  14.744   5.276  -4.093
   60   1HG   PRO  11          1HG       PRO  11  13.763   4.781  -1.262
   61   2HG   PRO  11          2HG       PRO  11  14.991   3.868  -2.189
   62   1HD   PRO  11          1HD       PRO  11  15.658   5.846  -0.418
   63   2HD   PRO  11          2HD       PRO  11  16.603   5.574  -1.914
   64    H    VAL  12           H        VAL  12  12.041   7.937  -4.110
   65    HA   VAL  12           HA       VAL  12  10.465   8.215  -1.592
   66    HB   VAL  12           HB       VAL  12  10.245   9.871  -4.127
   67   1HG1  VAL  12          1HG1      VAL  12   8.921  11.417  -2.721
   68   2HG1  VAL  12          2HG1      VAL  12   8.143   9.841  -2.764
   69   3HG1  VAL  12          3HG1      VAL  12   9.076  10.319  -1.336
   70   1HG2  VAL  12          1HG2      VAL  12  11.258  11.699  -2.712
   71   2HG2  VAL  12          2HG2      VAL  12  11.641  10.479  -1.492
   72   3HG2  VAL  12          3HG2      VAL  12  12.397  10.398  -3.097
   73    H    GLU  13           H        GLU  13  10.700   6.463  -4.584
   74    HA   GLU  13           HA       GLU  13   7.945   6.055  -5.087
   75   1HB   GLU  13          1HB       GLU  13  10.275   4.143  -5.561
   76   2HB   GLU  13          2HB       GLU  13   8.654   4.052  -6.290
   77   1HG   GLU  13          1HG       GLU  13   9.031   6.314  -7.274
   78   2HG   GLU  13          2HG       GLU  13  10.720   6.214  -6.783
   79    H    ASP  14           H        ASP  14  10.098   4.685  -2.667
   80    HA   ASP  14           HA       ASP  14   8.470   2.384  -2.056
   81   1HB   ASP  14          1HB       ASP  14  10.866   2.491  -1.456
   82   2HB   ASP  14          2HB       ASP  14  10.500   3.779  -0.295
   83    H    LEU  15           H        LEU  15   8.620   5.732  -0.954
   84    HA   LEU  15           HA       LEU  15   6.810   5.512   1.204
   85   1HB   LEU  15          1HB       LEU  15   8.454   7.503   0.040
   86   2HB   LEU  15          2HB       LEU  15   6.842   8.099  -0.293
   87    HG   LEU  15           HG       LEU  15   7.662   9.016   1.718
   88   1HD1  LEU  15          1HD1      LEU  15   5.912   8.509   3.309
   89   2HD1  LEU  15          2HD1      LEU  15   5.611   6.908   2.551
   90   3HD1  LEU  15          3HD1      LEU  15   5.229   8.408   1.680
   91   1HD2  LEU  15          1HD2      LEU  15   8.340   7.724   3.686
   92   2HD2  LEU  15          2HD2      LEU  15   9.313   7.313   2.265
   93   3HD2  LEU  15          3HD2      LEU  15   8.050   6.201   2.829
   94    H    ILE  16           H        ILE  16   6.397   6.463  -2.215
   95    HA   ILE  16           HA       ILE  16   3.609   6.941  -2.070
   96    HB   ILE  16           HB       ILE  16   5.259   5.992  -4.441
   97   1HG1  ILE  16          1HG1      ILE  16   6.087   8.131  -3.595
   98   2HG1  ILE  16          2HG1      ILE  16   5.350   8.294  -5.180
   99   1HG2  ILE  16          1HG2      ILE  16   3.431   6.982  -5.846
  100   2HG2  ILE  16          2HG2      ILE  16   2.925   5.564  -4.937
  101   3HG2  ILE  16          3HG2      ILE  16   2.444   7.174  -4.385
  102   1HD1  ILE  16          1HD1      ILE  16   4.051   9.084  -2.547
  103   2HD1  ILE  16          2HD1      ILE  16   4.805  10.186  -3.710
  104   3HD1  ILE  16          3HD1      ILE  16   3.335   9.303  -4.160
  105    H    ARG  17           H        ARG  17   5.340   3.872  -3.023
  106    HA   ARG  17           HA       ARG  17   2.831   2.528  -3.228
  107   1HB   ARG  17          1HB       ARG  17   4.026   0.477  -3.535
  108   2HB   ARG  17          2HB       ARG  17   4.996   1.722  -4.304
  109   1HG   ARG  17          1HG       ARG  17   6.413   1.838  -2.262
  110   2HG   ARG  17          2HG       ARG  17   5.459   0.547  -1.523
  111   1HD   ARG  17          1HD       ARG  17   6.165  -0.912  -3.482
  112   2HD   ARG  17          2HD       ARG  17   7.336   0.348  -3.883
  113    HE   ARG  17           HE       ARG  17   8.406   0.042  -1.717
  114   1HH1  ARG  17          1HH1      ARG  17   5.972  -2.510  -2.388
  115   2HH1  ARG  17          2HH1      ARG  17   6.393  -3.365  -0.937
  116   1HH2  ARG  17          1HH2      ARG  17   8.978  -1.138  -0.049
  117   2HH2  ARG  17          2HH2      ARG  17   8.419  -2.785   0.209
  118    H    PHE  18           H        PHE  18   4.865   3.064  -0.408
  119    HA   PHE  18           HA       PHE  18   3.557   1.116   1.241
  120   1HB   PHE  18          1HB       PHE  18   5.680   2.134   1.868
  121   2HB   PHE  18          2HB       PHE  18   4.988   3.748   1.835
  122    HD1  PHE  18           HD1      PHE  18   3.602   4.593   3.661
  123    HD2  PHE  18           HD2      PHE  18   5.167   0.571   3.714
  124    HE1  PHE  18           HE1      PHE  18   2.992   4.389   6.050
  125    HE2  PHE  18           HE2      PHE  18   4.570   0.376   6.096
  126    HZ   PHE  18           HZ       PHE  18   3.449   2.281   7.281
  127    H    TYR  19           H        TYR  19   2.911   4.526   0.387
  128    HA   TYR  19           HA       TYR  19   0.675   4.875   2.155
  129   1HB   TYR  19          1HB       TYR  19   2.122   6.459   0.230
  130   2HB   TYR  19          2HB       TYR  19   0.449   6.515  -0.238
  131    HD1  TYR  19           HD1      TYR  19  -1.281   7.425   1.336
  132    HD2  TYR  19           HD2      TYR  19   2.935   7.537   2.219
  133    HE1  TYR  19           HE1      TYR  19  -1.710   9.124   3.083
  134    HE2  TYR  19           HE2      TYR  19   2.542   9.244   3.958
  135    HH   TYR  19           HH       TYR  19  -0.412  10.963   4.388
  136    H    ASN  20           H        ASN  20   0.967   4.025  -1.271
  137    HA   ASN  20           HA       ASN  20  -1.822   3.785  -1.784
  138   1HB   ASN  20          1HB       ASN  20   0.663   2.900  -3.238
  139   2HB   ASN  20          2HB       ASN  20  -0.886   2.199  -3.693
  140   1HD2  ASN  20          2HD2      ASN  20  -0.910   3.304  -5.816
  141   2HD2  ASN  20          1HD2      ASN  20  -1.209   5.037  -5.821
  142    H    ASP  21           H        ASP  21   0.453   1.505  -0.265
  143    HA   ASP  21           HA       ASP  21  -1.163  -0.822  -0.658
  144   1HB   ASP  21          1HB       ASP  21   1.276  -0.760   0.071
  145   2HB   ASP  21          2HB       ASP  21   0.701  -0.370   1.697
  146    H    LEU  22           H        LEU  22  -0.950   1.539   2.062
  147    HA   LEU  22           HA       LEU  22  -2.848   0.328   3.734
  148   1HB   LEU  22          1HB       LEU  22  -2.047   3.251   3.368
  149   2HB   LEU  22          2HB       LEU  22  -3.357   2.764   4.437
  150    HG   LEU  22           HG       LEU  22  -1.715   1.204   5.605
  151   1HD1  LEU  22          1HD1      LEU  22   0.129   1.273   3.989
  152   2HD1  LEU  22          2HD1      LEU  22   0.645   1.887   5.563
  153   3HD1  LEU  22          3HD1      LEU  22   0.307   3.027   4.240
  154   1HD2  LEU  22          1HD2      LEU  22  -0.912   3.084   7.011
  155   2HD2  LEU  22          2HD2      LEU  22  -2.613   3.293   6.578
  156   3HD2  LEU  22          3HD2      LEU  22  -1.356   4.235   5.739
  157    H    GLN  23           H        GLN  23  -3.380   2.749   1.112
  158    HA   GLN  23           HA       GLN  23  -6.277   2.721   1.621
  159   1HB   GLN  23          1HB       GLN  23  -6.519   4.053  -0.419
  160   2HB   GLN  23          2HB       GLN  23  -5.447   4.791   0.756
  161   1HG   GLN  23          1HG       GLN  23  -3.554   4.517  -0.564
  162   2HG   GLN  23          2HG       GLN  23  -4.213   3.111  -1.405
  163   1HE2  GLN  23          2HE2      GLN  23  -4.003   6.631  -1.507
  164   2HE2  GLN  23          1HE2      GLN  23  -4.824   6.760  -3.050
  165    H    GLN  24           H        GLN  24  -4.080   0.696  -0.406
  166    HA   GLN  24           HA       GLN  24  -5.989  -0.129  -2.262
  167   1HB   GLN  24          1HB       GLN  24  -3.252  -0.751  -1.334
  168   2HB   GLN  24          2HB       GLN  24  -4.121  -2.186  -1.652
  169   1HG   GLN  24          1HG       GLN  24  -4.603  -1.554  -3.911
  170   2HG   GLN  24          2HG       GLN  24  -4.115   0.122  -3.624
  171   1HE2  GLN  24          2HE2      GLN  24  -3.008  -0.861  -5.786
  172   2HE2  GLN  24          1HE2      GLN  24  -1.361  -1.441  -5.542
  173    H    TYR  25           H        TYR  25  -5.037  -1.325   0.918
  174    HA   TYR  25           HA       TYR  25  -6.807  -3.609   1.036
  175   1HB   TYR  25          1HB       TYR  25  -4.900  -3.124   2.631
  176   2HB   TYR  25          2HB       TYR  25  -5.836  -1.805   3.314
  177    HD1  TYR  25           HD1      TYR  25  -7.615  -2.247   4.917
  178    HD2  TYR  25           HD2      TYR  25  -5.664  -5.501   2.859
  179    HE1  TYR  25           HE1      TYR  25  -8.737  -3.841   6.389
  180    HE2  TYR  25           HE2      TYR  25  -6.780  -7.119   4.338
  181    HH   TYR  25           HH       TYR  25  -9.179  -6.086   6.831
  182    H    LEU  26           H        LEU  26  -7.325  -0.241   2.202
  183    HA   LEU  26           HA       LEU  26 -10.026  -0.785   2.749
  184   1HB   LEU  26          1HB       LEU  26  -8.648   1.852   2.077
  185   2HB   LEU  26          2HB       LEU  26 -10.306   1.780   2.653
  186    HG   LEU  26           HG       LEU  26  -7.938   0.700   4.220
  187   1HD1  LEU  26          1HD1      LEU  26  -8.231   2.786   5.594
  188   2HD1  LEU  26          2HD1      LEU  26  -9.375   3.393   4.372
  189   3HD1  LEU  26          3HD1      LEU  26  -7.683   3.100   3.945
  190   1HD2  LEU  26          1HD2      LEU  26 -10.845   1.261   5.007
  191   2HD2  LEU  26          2HD2      LEU  26  -9.548   0.819   6.139
  192   3HD2  LEU  26          3HD2      LEU  26 -10.048  -0.336   4.911
  193    H    ASN  27           H        ASN  27  -8.719  -0.266  -0.277
  194    HA   ASN  27           HA       ASN  27 -11.279   0.353  -1.543
  195   1HB   ASN  27          1HB       ASN  27  -8.332   0.196  -2.282
  196   2HB   ASN  27          2HB       ASN  27  -9.521   0.165  -3.517
  197   1HD2  ASN  27          2HD2      ASN  27  -7.721   2.228  -3.511
  198   2HD2  ASN  27          1HD2      ASN  27  -8.476   3.726  -2.949
  199    H    VAL  28           H        VAL  28  -9.168  -2.415  -1.127
  200    HA   VAL  28           HA       VAL  28 -10.684  -3.999  -3.129
  201    HB   VAL  28           HB       VAL  28  -8.161  -4.547  -1.517
  202   1HG1  VAL  28          1HG1      VAL  28  -9.514  -6.293  -3.628
  203   2HG1  VAL  28          2HG1      VAL  28  -7.862  -6.526  -3.004
  204   3HG1  VAL  28          3HG1      VAL  28  -9.237  -6.699  -1.924
  205   1HG2  VAL  28          1HG2      VAL  28  -8.585  -4.104  -4.519
  206   2HG2  VAL  28          2HG2      VAL  28  -7.919  -2.896  -3.411
  207   3HG2  VAL  28          3HG2      VAL  28  -7.034  -4.391  -3.702
  208    H    VAL  29           H        VAL  29 -10.548  -3.364   0.308
  209    HA   VAL  29           HA       VAL  29 -11.976  -5.806   1.037
  210    HB   VAL  29           HB       VAL  29 -10.985  -3.368   2.524
  211   1HG1  VAL  29          1HG1      VAL  29 -11.928  -4.323   4.636
  212   2HG1  VAL  29          2HG1      VAL  29 -13.212  -3.804   3.556
  213   3HG1  VAL  29          3HG1      VAL  29 -12.825  -5.533   3.689
  214   1HG2  VAL  29          1HG2      VAL  29 -10.511  -6.355   2.793
  215   2HG2  VAL  29          2HG2      VAL  29  -9.376  -5.093   2.210
  216   3HG2  VAL  29          3HG2      VAL  29  -9.884  -5.116   3.885
  217    H    THR  30           H        THR  30 -12.851  -2.345   0.936
  218    HA   THR  30           HA       THR  30 -15.522  -2.598   1.527
  219    HB   THR  30           HB       THR  30 -15.636  -0.454   0.183
  220    HG1  THR  30           HG1      THR  30 -12.899  -0.267   0.141
  221   1HG2  THR  30          1HG2      THR  30 -13.630  -0.744   2.431
  222   2HG2  THR  30          2HG2      THR  30 -15.336  -0.258   2.519
  223   3HG2  THR  30          3HG2      THR  30 -14.151   0.819   1.771
  224    H    ARG  31           H        ARG  31 -14.073  -2.444  -1.709
  225    HA   ARG  31           HA       ARG  31 -16.441  -2.915  -3.165
  226   1HB   ARG  31          1HB       ARG  31 -14.271  -1.890  -3.851
  227   2HB   ARG  31          2HB       ARG  31 -13.546  -3.503  -3.917
  228   1HG   ARG  31          1HG       ARG  31 -14.860  -4.109  -5.799
  229   2HG   ARG  31          2HG       ARG  31 -16.016  -2.794  -5.543
  230   1HD   ARG  31          1HD       ARG  31 -14.449  -2.312  -7.431
  231   2HD   ARG  31          2HD       ARG  31 -14.364  -1.112  -6.136
  232    HE   ARG  31           HE       ARG  31 -12.231  -1.762  -5.597
  233   1HH1  ARG  31          1HH1      ARG  31 -13.599  -4.209  -7.807
  234   2HH1  ARG  31          2HH1      ARG  31 -12.141  -5.112  -7.926
  235   1HH2  ARG  31          1HH2      ARG  31 -10.239  -2.765  -6.021
  236   2HH2  ARG  31          2HH2      ARG  31 -10.143  -4.181  -6.986
  237    H    HIS  32           H        HIS  32 -14.984  -5.192  -1.185
  238    HA   HIS  32           HA       HIS  32 -16.130  -7.515  -2.653
  239   1HB   HIS  32          1HB       HIS  32 -13.594  -7.198  -2.580
  240   2HB   HIS  32          2HB       HIS  32 -13.694  -7.367  -0.834
  241    HD1  HIS  32           HD1      HIS  32 -15.407 -10.048  -0.628
  242    HD2  HIS  32           HD2      HIS  32 -12.257  -9.218  -3.298
  243    HE1  HIS  32           HE1      HIS  32 -14.324 -12.292  -1.180
  244    H    ARG  33           H        ARG  33 -16.801  -5.436  -0.157
  245    HA   ARG  33           HA       ARG  33 -18.143  -7.559   1.389
  246   1HB   ARG  33          1HB       ARG  33 -15.744  -7.340   2.217
  247   2HB   ARG  33          2HB       ARG  33 -16.117  -5.691   2.707
  248   1HG   ARG  33          1HG       ARG  33 -17.888  -6.598   4.234
  249   2HG   ARG  33          2HG       ARG  33 -17.438  -8.243   3.708
  250   1HD   ARG  33          1HD       ARG  33 -15.096  -7.779   4.493
  251   2HD   ARG  33          2HD       ARG  33 -15.638  -6.218   5.110
  252    HE   ARG  33           HE       ARG  33 -17.168  -7.376   6.634
  253   1HH1  ARG  33          1HH1      ARG  33 -14.670  -9.491   5.181
  254   2HH1  ARG  33          2HH1      ARG  33 -14.685 -10.603   6.484
  255   1HH2  ARG  33          1HH2      ARG  33 -17.184  -8.772   8.276
  256   2HH2  ARG  33          2HH2      ARG  33 -16.099 -10.137   8.415
  257    H    TYR  34           H        TYR  34 -17.426  -4.065   1.183
  258    HA   TYR  34           HA       TYR  34 -19.620  -3.232   2.931
  259   1HB   TYR  34          1HB       TYR  34 -17.431  -1.983   2.627
  260   2HB   TYR  34          2HB       TYR  34 -17.887  -1.665   0.967
  261    HD1  TYR  34           HD1      TYR  34 -19.661  -0.019   0.415
  262    HD2  TYR  34           HD2      TYR  34 -18.391  -0.725   4.487
  263    HE1  TYR  34           HE1      TYR  34 -20.493   2.208   1.055
  264    HE2  TYR  34           HE2      TYR  34 -19.261   1.485   5.143
  265    HH   TYR  34           HH       TYR  34 -20.445   3.434   4.411
  266   1HN   NH2  35          1H        NH2  35 -21.414  -1.761   1.914
  267   2HN   NH2  35          2H        NH2  35 -21.960  -2.191   0.318
  268   2HN   ZAB  10          H         AZO  10  16.574   0.849   1.113
  269   2HA   ZAB  10          2HA       AZO  10  15.939   2.641  -0.445
  270   3HA   ZAB  10          3HA       AZO  10  14.260   2.044  -0.388
  271    HG2  ZAB  10           HG2      AZO  10  12.869   2.354   1.612
  272    HD2  ZAB  10           HD2      AZO  10  12.478   3.691   3.659
  273    HE   ZAB  10           HE       AZO  10  14.282   5.109   4.598
  274    HG1  ZAB  10           HG1      AZO  10  16.948   3.781   1.491
  275    HJ2  ZAB  10           HJ2      AZO  10  15.459   8.521   4.471
  276    HK2  ZAB  10           HK2      AZO  10  14.870  10.418   2.984
  277    HL   ZAB  10           HL       AZO  10  15.535  10.379   0.595
  278    HJ1  ZAB  10           HJ1      AZO  10  17.433   6.547   1.189
  279   2HM   ZAB  10          2HM       AZO  10  17.456   9.357  -0.950
  280   3HM   ZAB  10          3HM       AZO  10  17.588   7.600  -0.921
  Start of MODEL   14
    1   1H    GLY   1          H         GLY   1   7.396 -16.951 -10.780
    2   1HA   GLY   1          1HA       GLY   1   7.323 -14.728  -8.826
    3   2HA   GLY   1          2HA       GLY   1   8.511 -14.805 -10.145
    4    HA   PRO   2           HA       PRO   2   4.134 -13.792 -11.856
    5   1HB   PRO   2          1HB       PRO   2   3.022 -11.565 -10.705
    6   2HB   PRO   2          2HB       PRO   2   2.765 -13.206 -10.049
    7   1HG   PRO   2          1HG       PRO   2   4.800 -11.151  -9.129
    8   2HG   PRO   2          2HG       PRO   2   3.654 -12.108  -8.132
    9   1HD   PRO   2          1HD       PRO   2   6.250 -12.878  -8.486
   10   2HD   PRO   2          2HD       PRO   2   4.914 -14.054  -8.371
   11    H    SER   3           H        SER   3   3.696 -11.952 -13.383
   12    HA   SER   3           HA       SER   3   6.152 -10.627 -14.145
   13   1HB   SER   3          1HB       SER   3   3.340 -10.334 -15.293
   14   2HB   SER   3          2HB       SER   3   4.872  -9.906 -16.085
   15    HG   SER   3           HG       SER   3   5.450 -12.179 -15.799
   16    H    GLN   4           H        GLN   4   6.809  -8.683 -13.256
   17    HA   GLN   4           HA       GLN   4   4.753  -6.739 -12.304
   18   1HB   GLN   4          1HB       GLN   4   7.344  -7.507 -10.906
   19   2HB   GLN   4          2HB       GLN   4   6.259  -6.222 -10.417
   20   1HG   GLN   4          1HG       GLN   4   5.569  -9.189 -10.486
   21   2HG   GLN   4          2HG       GLN   4   6.012  -8.280  -9.058
   22   1HE2  GLN   4          2HE2      GLN   4   3.395  -9.599 -10.420
   23   2HE2  GLN   4          1HE2      GLN   4   2.167  -8.525  -9.868
   24    HA   PRO   5           HA       PRO   5   7.833  -4.936 -15.275
   25   1HB   PRO   5          1HB       PRO   5   6.119  -3.683 -16.999
   26   2HB   PRO   5          2HB       PRO   5   6.529  -5.424 -17.125
   27   1HG   PRO   5          1HG       PRO   5   4.097  -4.169 -15.815
   28   2HG   PRO   5          2HG       PRO   5   4.140  -5.544 -16.951
   29   1HD   PRO   5          1HD       PRO   5   4.004  -5.887 -14.249
   30   2HD   PRO   5          2HD       PRO   5   4.909  -7.018 -15.300
   31    H    THR   6           H        THR   6   8.766  -3.259 -14.211
   32    HA   THR   6           HA       THR   6   7.882  -0.651 -14.146
   33    HB   THR   6           HB       THR   6   6.275  -1.265 -12.433
   34    HG1  THR   6           HG1      THR   6   7.030   0.240 -10.856
   35   1HG2  THR   6          1HG2      THR   6   6.900  -2.062 -10.214
   36   2HG2  THR   6          2HG2      THR   6   8.581  -2.283 -10.733
   37   3HG2  THR   6          3HG2      THR   6   7.293  -3.274 -11.438
   38    H    TYR   7           H        TYR   7   9.506   0.290 -12.102
   39    HA   TYR   7           HA       TYR   7  12.082  -1.037 -12.173
   40   1HB   TYR   7          1HB       TYR   7  12.364   0.053 -14.293
   41   2HB   TYR   7          2HB       TYR   7  11.742   1.580 -13.651
   42    HD1  TYR   7           HD1      TYR   7  14.278  -0.798 -12.150
   43    HD2  TYR   7           HD2      TYR   7  13.536   3.109 -13.832
   44    HE1  TYR   7           HE1      TYR   7  16.445  -0.034 -11.330
   45    HE2  TYR   7           HE2      TYR   7  15.713   3.890 -12.985
   46    HH   TYR   7           HH       TYR   7  17.798   1.725 -10.963
   47    HA   PRO   8           HA       PRO   8  11.044   1.475  -8.465
   48   1HB   PRO   8          1HB       PRO   8  11.069  -0.438  -6.573
   49   2HB   PRO   8          2HB       PRO   8   9.740  -0.371  -7.773
   50   1HG   PRO   8          1HG       PRO   8  12.194  -2.156  -7.781
   51   2HG   PRO   8          2HG       PRO   8  10.478  -2.601  -8.085
   52   1HD   PRO   8          1HD       PRO   8  12.372  -1.992 -10.069
   53   2HD   PRO   8          2HD       PRO   8  10.605  -1.887 -10.286
   54    H    GLY   9           H        GLY   9  12.390   2.124  -6.679
   55   1HA   GLY   9          1HA       GLY   9  15.257   1.809  -7.091
   56   2HA   GLY   9          2HA       GLY   9  14.438   2.879  -5.965
   57    HA   PRO  11           HA       PRO  11  14.000   9.150  -2.931
   58   1HB   PRO  11          1HB       PRO  11  12.644   7.133  -4.099
   59   2HB   PRO  11          2HB       PRO  11  14.423   7.138  -4.010
   60   1HG   PRO  11          1HG       PRO  11  12.472   5.652  -2.250
   61   2HG   PRO  11          2HG       PRO  11  14.010   5.070  -2.971
   62   1HD   PRO  11          1HD       PRO  11  13.671   6.060  -0.392
   63   2HD   PRO  11          2HD       PRO  11  15.246   5.962  -1.255
   64    H    VAL  12           H        VAL  12  11.405   8.891  -3.863
   65    HA   VAL  12           HA       VAL  12   9.705   9.464  -1.478
   66    HB   VAL  12           HB       VAL  12   9.687  10.810  -4.206
   67   1HG1  VAL  12          1HG1      VAL  12   7.977  12.337  -3.177
   68   2HG1  VAL  12          2HG1      VAL  12   7.375  10.692  -3.389
   69   3HG1  VAL  12          3HG1      VAL  12   7.886  11.241  -1.791
   70   1HG2  VAL  12          1HG2      VAL  12  10.260  11.989  -1.443
   71   2HG2  VAL  12          2HG2      VAL  12  11.495  11.605  -2.647
   72   3HG2  VAL  12          3HG2      VAL  12  10.299  12.848  -2.996
   73    H    GLU  13           H        GLU  13  10.081   7.663  -4.461
   74    HA   GLU  13           HA       GLU  13   7.391   6.902  -4.879
   75   1HB   GLU  13          1HB       GLU  13   8.301   5.217  -6.323
   76   2HB   GLU  13          2HB       GLU  13   9.316   6.652  -6.467
   77   1HG   GLU  13          1HG       GLU  13  10.951   5.643  -4.865
   78   2HG   GLU  13          2HG       GLU  13   9.952   4.185  -4.784
   79    H    ASP  14           H        ASP  14   9.700   5.765  -2.481
   80    HA   ASP  14           HA       ASP  14   8.561   3.196  -1.899
   81   1HB   ASP  14          1HB       ASP  14   9.937   3.291   0.098
   82   2HB   ASP  14          2HB       ASP  14  10.884   3.848  -1.276
   83    H    LEU  15           H        LEU  15   8.311   6.422  -0.505
   84    HA   LEU  15           HA       LEU  15   6.418   5.822   1.486
   85   1HB   LEU  15          1HB       LEU  15   7.835   8.098   0.538
   86   2HB   LEU  15          2HB       LEU  15   6.148   8.557   0.412
   87    HG   LEU  15           HG       LEU  15   7.110   9.234   2.535
   88   1HD1  LEU  15          1HD1      LEU  15   5.469   8.266   4.081
   89   2HD1  LEU  15          2HD1      LEU  15   5.085   6.987   2.902
   90   3HD1  LEU  15          3HD1      LEU  15   4.735   8.681   2.522
   91   1HD2  LEU  15          1HD2      LEU  15   7.884   7.636   4.234
   92   2HD2  LEU  15          2HD2      LEU  15   8.854   7.540   2.766
   93   3HD2  LEU  15          3HD2      LEU  15   7.685   6.281   3.094
   94    H    ILE  16           H        ILE  16   5.947   7.004  -1.839
   95    HA   ILE  16           HA       ILE  16   3.099   7.100  -1.640
   96    HB   ILE  16           HB       ILE  16   4.832   6.673  -4.110
   97   1HG1  ILE  16          1HG1      ILE  16   5.329   8.810  -2.995
   98   2HG1  ILE  16          2HG1      ILE  16   4.536   9.056  -4.539
   99   1HG2  ILE  16          1HG2      ILE  16   2.801   7.578  -5.339
  100   2HG2  ILE  16          2HG2      ILE  16   2.613   5.949  -4.678
  101   3HG2  ILE  16          3HG2      ILE  16   1.864   7.323  -3.854
  102   1HD1  ILE  16          1HD1      ILE  16   3.168   9.253  -1.814
  103   2HD1  ILE  16          2HD1      ILE  16   3.717  10.607  -2.798
  104   3HD1  ILE  16          3HD1      ILE  16   2.406   9.579  -3.394
  105    H    ARG  17           H        ARG  17   5.292   4.330  -2.565
  106    HA   ARG  17           HA       ARG  17   3.018   2.678  -3.089
  107   1HB   ARG  17          1HB       ARG  17   5.414   2.162  -3.828
  108   2HB   ARG  17          2HB       ARG  17   5.759   1.675  -2.163
  109   1HG   ARG  17          1HG       ARG  17   3.845  -0.001  -2.363
  110   2HG   ARG  17          2HG       ARG  17   3.695   0.453  -4.056
  111   1HD   ARG  17          1HD       ARG  17   6.102  -0.837  -2.695
  112   2HD   ARG  17          2HD       ARG  17   4.952  -1.652  -3.755
  113    HE   ARG  17           HE       ARG  17   7.285  -0.245  -4.502
  114   1HH1  ARG  17          1HH1      ARG  17   4.014  -0.971  -5.733
  115   2HH1  ARG  17          2HH1      ARG  17   4.469  -0.627  -7.380
  116   1HH2  ARG  17          1HH2      ARG  17   7.703   0.495  -6.605
  117   2HH2  ARG  17          2HH2      ARG  17   6.572   0.208  -7.881
  118    H    PHE  18           H        PHE  18   4.969   3.005  -0.107
  119    HA   PHE  18           HA       PHE  18   3.606   1.052   1.383
  120   1HB   PHE  18          1HB       PHE  18   5.707   2.288   1.993
  121   2HB   PHE  18          2HB       PHE  18   4.740   3.705   2.366
  122    HD1  PHE  18           HD1      PHE  18   3.173   3.668   4.346
  123    HD2  PHE  18           HD2      PHE  18   5.839   0.389   3.495
  124    HE1  PHE  18           HE1      PHE  18   2.909   2.850   6.669
  125    HE2  PHE  18           HE2      PHE  18   5.558  -0.438   5.807
  126    HZ   PHE  18           HZ       PHE  18   4.100   0.792   7.407
  127    H    TYR  19           H        TYR  19   2.709   4.399   0.649
  128    HA   TYR  19           HA       TYR  19   0.456   4.455   2.502
  129   1HB   TYR  19          1HB       TYR  19   1.933   6.399   1.488
  130   2HB   TYR  19          2HB       TYR  19   0.780   6.369   0.178
  131    HD1  TYR  19           HD1      TYR  19  -1.813   6.477   0.974
  132    HD2  TYR  19           HD2      TYR  19   1.574   7.777   3.317
  133    HE1  TYR  19           HE1      TYR  19  -3.294   7.957   2.284
  134    HE2  TYR  19           HE2      TYR  19   0.100   9.294   4.600
  135    HH   TYR  19           HH       TYR  19  -3.292   9.796   3.685
  136    H    ASN  20           H        ASN  20   0.866   4.182  -1.026
  137    HA   ASN  20           HA       ASN  20  -1.852   4.025  -1.797
  138   1HB   ASN  20          1HB       ASN  20  -0.093   4.296  -3.451
  139   2HB   ASN  20          2HB       ASN  20   0.640   2.745  -3.007
  140   1HD2  ASN  20          2HD2      ASN  20   0.104   1.054  -4.442
  141   2HD2  ASN  20          1HD2      ASN  20  -1.411   0.989  -5.310
  142    H    ASP  21           H        ASP  21   0.407   1.483  -0.724
  143    HA   ASP  21           HA       ASP  21  -1.223  -0.768  -1.148
  144   1HB   ASP  21          1HB       ASP  21   1.199  -0.743  -0.610
  145   2HB   ASP  21          2HB       ASP  21   0.827  -0.226   1.036
  146    H    LEU  22           H        LEU  22  -1.150   1.510   1.596
  147    HA   LEU  22           HA       LEU  22  -2.901  -0.062   3.310
  148   1HB   LEU  22          1HB       LEU  22  -2.034   2.860   3.318
  149   2HB   LEU  22          2HB       LEU  22  -3.156   2.211   4.499
  150    HG   LEU  22           HG       LEU  22  -0.454   0.892   4.065
  151   1HD1  LEU  22          1HD1      LEU  22   0.036   3.238   4.553
  152   2HD1  LEU  22          2HD1      LEU  22   0.454   2.213   5.928
  153   3HD1  LEU  22          3HD1      LEU  22  -1.036   3.187   5.975
  154   1HD2  LEU  22          1HD2      LEU  22  -2.187  -0.321   5.394
  155   2HD2  LEU  22          2HD2      LEU  22  -2.288   1.068   6.495
  156   3HD2  LEU  22          3HD2      LEU  22  -0.782   0.133   6.355
  157    H    GLN  23           H        GLN  23  -3.274   2.673   1.047
  158    HA   GLN  23           HA       GLN  23  -6.131   2.821   1.368
  159   1HB   GLN  23          1HB       GLN  23  -4.381   3.777  -0.925
  160   2HB   GLN  23          2HB       GLN  23  -6.089   4.193  -0.674
  161   1HG   GLN  23          1HG       GLN  23  -5.464   5.137   1.583
  162   2HG   GLN  23          2HG       GLN  23  -3.767   4.929   1.155
  163   1HE2  GLN  23          2HE2      GLN  23  -3.614   5.816  -1.516
  164   2HE2  GLN  23          1HE2      GLN  23  -4.129   7.479  -1.556
  165    H    GLN  24           H        GLN  24  -4.063   0.718  -0.552
  166    HA   GLN  24           HA       GLN  24  -6.002  -0.184  -2.416
  167   1HB   GLN  24          1HB       GLN  24  -3.549  -0.595  -2.663
  168   2HB   GLN  24          2HB       GLN  24  -3.658  -1.769  -1.342
  169   1HG   GLN  24          1HG       GLN  24  -5.370  -3.048  -2.665
  170   2HG   GLN  24          2HG       GLN  24  -5.148  -1.907  -3.988
  171   1HE2  GLN  24          2HE2      GLN  24  -3.783  -4.589  -2.211
  172   2HE2  GLN  24          1HE2      GLN  24  -2.889  -5.151  -3.603
  173    H    TYR  25           H        TYR  25  -5.019  -1.329   0.777
  174    HA   TYR  25           HA       TYR  25  -6.838  -3.569   1.005
  175   1HB   TYR  25          1HB       TYR  25  -5.076  -3.424   2.572
  176   2HB   TYR  25          2HB       TYR  25  -5.428  -1.765   2.984
  177    HD1  TYR  25           HD1      TYR  25  -7.123  -1.144   4.590
  178    HD2  TYR  25           HD2      TYR  25  -6.378  -5.282   3.598
  179    HE1  TYR  25           HE1      TYR  25  -8.335  -1.848   6.627
  180    HE2  TYR  25           HE2      TYR  25  -7.592  -5.994   5.627
  181    HH   TYR  25           HH       TYR  25  -9.124  -5.226   7.386
  182    H    LEU  26           H        LEU  26  -7.222  -0.122   1.923
  183    HA   LEU  26           HA       LEU  26  -9.965  -0.423   2.545
  184   1HB   LEU  26          1HB       LEU  26  -8.497   2.100   1.655
  185   2HB   LEU  26          2HB       LEU  26 -10.068   2.084   2.446
  186    HG   LEU  26           HG       LEU  26  -7.531   1.004   3.719
  187   1HD1  LEU  26          1HD1      LEU  26  -8.855   3.738   4.016
  188   2HD1  LEU  26          2HD1      LEU  26  -7.265   3.393   3.317
  189   3HD1  LEU  26          3HD1      LEU  26  -7.513   3.116   5.038
  190   1HD2  LEU  26          1HD2      LEU  26  -8.806   1.194   5.841
  191   2HD2  LEU  26          2HD2      LEU  26  -9.553   0.052   4.725
  192   3HD2  LEU  26          3HD2      LEU  26 -10.254   1.671   4.922
  193    H    ASN  27           H        ASN  27  -8.644  -0.642  -0.501
  194    HA   ASN  27           HA       ASN  27 -11.175   0.041  -1.830
  195   1HB   ASN  27          1HB       ASN  27  -8.206   0.377  -2.452
  196   2HB   ASN  27          2HB       ASN  27  -9.215  -0.035  -3.760
  197   1HD2  ASN  27          2HD2      ASN  27  -8.396   2.438  -1.514
  198   2HD2  ASN  27          1HD2      ASN  27  -9.458   3.702  -2.166
  199    H    VAL  28           H        VAL  28  -9.576  -2.571  -0.820
  200    HA   VAL  28           HA       VAL  28 -10.768  -4.244  -2.995
  201    HB   VAL  28           HB       VAL  28  -8.230  -4.646  -1.382
  202   1HG1  VAL  28          1HG1      VAL  28  -7.866  -6.741  -2.539
  203   2HG1  VAL  28          2HG1      VAL  28  -9.449  -6.847  -1.763
  204   3HG1  VAL  28          3HG1      VAL  28  -9.336  -6.541  -3.503
  205   1HG2  VAL  28          1HG2      VAL  28  -7.126  -4.659  -3.601
  206   2HG2  VAL  28          2HG2      VAL  28  -8.689  -4.366  -4.385
  207   3HG2  VAL  28          3HG2      VAL  28  -7.969  -3.129  -3.343
  208    H    VAL  29           H        VAL  29 -10.474  -3.449   0.456
  209    HA   VAL  29           HA       VAL  29 -12.063  -5.778   1.250
  210    HB   VAL  29           HB       VAL  29 -10.932  -3.367   2.691
  211   1HG1  VAL  29          1HG1      VAL  29 -12.585  -5.573   4.015
  212   2HG1  VAL  29          2HG1      VAL  29 -11.722  -4.266   4.837
  213   3HG1  VAL  29          3HG1      VAL  29 -13.116  -3.883   3.829
  214   1HG2  VAL  29          1HG2      VAL  29 -10.411  -6.341   2.963
  215   2HG2  VAL  29          2HG2      VAL  29  -9.350  -5.125   2.218
  216   3HG2  VAL  29          3HG2      VAL  29  -9.681  -5.063   3.942
  217    H    THR  30           H        THR  30 -12.565  -2.297   0.772
  218    HA   THR  30           HA       THR  30 -15.273  -2.239   1.558
  219    HB   THR  30           HB       THR  30 -13.450  -0.486   1.141
  220    HG1  THR  30           HG1      THR  30 -15.010   0.242   2.160
  221   1HG2  THR  30          1HG2      THR  30 -13.369  -0.731  -1.361
  222   2HG2  THR  30          2HG2      THR  30 -13.696   0.907  -0.809
  223   3HG2  THR  30          3HG2      THR  30 -15.026  -0.068  -1.428
  224    H    ARG  31           H        ARG  31 -13.823  -3.268  -1.429
  225    HA   ARG  31           HA       ARG  31 -16.127  -2.962  -3.149
  226   1HB   ARG  31          1HB       ARG  31 -13.947  -5.097  -3.141
  227   2HB   ARG  31          2HB       ARG  31 -15.062  -4.853  -4.487
  228   1HG   ARG  31          1HG       ARG  31 -13.348  -2.558  -3.468
  229   2HG   ARG  31          2HG       ARG  31 -12.667  -3.754  -4.547
  230   1HD   ARG  31          1HD       ARG  31 -15.292  -2.640  -5.418
  231   2HD   ARG  31          2HD       ARG  31 -13.988  -1.472  -5.306
  232    HE   ARG  31           HE       ARG  31 -14.192  -3.744  -7.157
  233   1HH1  ARG  31          1HH1      ARG  31 -12.143  -1.100  -5.948
  234   2HH1  ARG  31          2HH1      ARG  31 -11.083  -1.138  -7.303
  235   1HH2  ARG  31          1HH2      ARG  31 -12.779  -3.887  -8.841
  236   2HH2  ARG  31          2HH2      ARG  31 -11.335  -2.922  -8.936
  237    H    HIS  32           H        HIS  32 -15.410  -5.159  -0.643
  238    HA   HIS  32           HA       HIS  32 -17.761  -6.903  -1.187
  239   1HB   HIS  32          1HB       HIS  32 -15.107  -7.219   0.161
  240   2HB   HIS  32          2HB       HIS  32 -16.472  -7.985   0.973
  241    HD1  HIS  32           HD1      HIS  32 -17.937  -9.687  -0.555
  242    HD2  HIS  32           HD2      HIS  32 -14.185  -8.474  -2.031
  243    HE1  HIS  32           HE1      HIS  32 -17.313 -11.336  -2.461
  244    H    ARG  33           H        ARG  33 -16.187  -5.096   1.501
  245    HA   ARG  33           HA       ARG  33 -18.448  -5.201   3.177
  246   1HB   ARG  33          1HB       ARG  33 -15.999  -4.691   3.781
  247   2HB   ARG  33          2HB       ARG  33 -16.338  -3.024   3.371
  248   1HG   ARG  33          1HG       ARG  33 -17.663  -4.714   5.519
  249   2HG   ARG  33          2HG       ARG  33 -16.525  -3.390   5.752
  250   1HD   ARG  33          1HD       ARG  33 -18.323  -1.898   4.589
  251   2HD   ARG  33          2HD       ARG  33 -19.443  -3.235   4.909
  252    HE   ARG  33           HE       ARG  33 -18.435  -1.295   6.770
  253   1HH1  ARG  33          1HH1      ARG  33 -19.860  -4.561   6.590
  254   2HH1  ARG  33          2HH1      ARG  33 -19.800  -4.813   8.294
  255   1HH2  ARG  33          1HH2      ARG  33 -18.534  -1.570   9.002
  256   2HH2  ARG  33          2HH2      ARG  33 -18.888  -3.136   9.699
  257    H    TYR  34           H        TYR  34 -17.311  -2.105   1.494
  258    HA   TYR  34           HA       TYR  34 -19.907  -0.940   2.101
  259   1HB   TYR  34          1HB       TYR  34 -17.714   0.274   1.927
  260   2HB   TYR  34          2HB       TYR  34 -17.754   0.007   0.179
  261    HD1  TYR  34           HD1      TYR  34 -19.350   1.281  -1.215
  262    HD2  TYR  34           HD2      TYR  34 -19.230   1.769   3.058
  263    HE1  TYR  34           HE1      TYR  34 -20.772   3.293  -1.404
  264    HE2  TYR  34           HE2      TYR  34 -20.602   3.820   2.881
  265    HH   TYR  34           HH       TYR  34 -21.995   5.046   1.428
  266   1HN   NH2  35          1H        NH2  35 -21.268  -0.037   0.056
  267   2HN   NH2  35          2H        NH2  35 -21.407  -1.247  -1.216
  268   2HN   ZAB  10          H         AZO  10  14.412   2.283  -3.827
  269   2HA   ZAB  10          2HA       AZO  10  14.635  -0.543  -2.959
  270   3HA   ZAB  10          3HA       AZO  10  16.014   0.500  -2.553
  271    HG2  ZAB  10           HG2      AZO  10  12.262   0.303  -2.301
  272    HD2  ZAB  10           HD2      AZO  10  10.978   1.215  -0.398
  273    HE   ZAB  10           HE       AZO  10  12.140   2.489   1.388
  274    HG1  ZAB  10           HG1      AZO  10  15.919   1.803  -0.557
  275    HJ2  ZAB  10           HJ2      AZO  10  13.031   4.797   4.229
  276    HK2  ZAB  10           HK2      AZO  10  12.915   7.255   4.522
  277    HL   ZAB  10           HL       AZO  10  14.097   8.762   2.959
  278    HJ1  ZAB  10           HJ1      AZO  10  15.677   5.337   0.882
  279   2HM   ZAB  10          2HM       AZO  10  16.052   8.908   1.357
  280   3HM   ZAB  10          3HM       AZO  10  16.498   7.532   0.370
  Start of MODEL   15
    1   1H    GLY   1          H         GLY   1   2.228 -13.637  16.550
    2   1HA   GLY   1          1HA       GLY   1   1.669 -12.312  14.544
    3   2HA   GLY   1          2HA       GLY   1   2.862 -11.512  15.602
    4    HA   PRO   2           HA       PRO   2   4.547 -12.380  11.247
    5   1HB   PRO   2          1HB       PRO   2   4.215  -9.902  10.038
    6   2HB   PRO   2          2HB       PRO   2   3.083 -11.275   9.906
    7   1HG   PRO   2          1HG       PRO   2   2.911  -8.847  11.679
    8   2HG   PRO   2          2HG       PRO   2   1.593  -9.718  10.840
    9   1HD   PRO   2          1HD       PRO   2   2.166 -10.017  13.514
   10   2HD   PRO   2          2HD       PRO   2   1.392 -11.283  12.510
   11    H    SER   3           H        SER   3   6.487 -11.439  10.310
   12    HA   SER   3           HA       SER   3   7.914  -9.383  11.795
   13   1HB   SER   3          1HB       SER   3   9.320 -12.011  11.271
   14   2HB   SER   3          2HB       SER   3   9.747 -10.728  12.417
   15    HG   SER   3           HG       SER   3   8.129 -12.924  12.647
   16    H    GLN   4           H        GLN   4   8.950  -8.088  10.226
   17    HA   GLN   4           HA       GLN   4   9.897  -9.378   7.773
   18   1HB   GLN   4          1HB       GLN   4   8.699  -7.924   6.279
   19   2HB   GLN   4          2HB       GLN   4   7.559  -8.766   7.287
   20   1HG   GLN   4          1HG       GLN   4   7.221  -6.740   8.666
   21   2HG   GLN   4          2HG       GLN   4   8.450  -5.901   7.697
   22   1HE2  GLN   4          2HE2      GLN   4   5.036  -6.512   7.897
   23   2HE2  GLN   4          1HE2      GLN   4   4.684  -5.983   6.265
   24    HA   PRO   5           HA       PRO   5  13.173  -6.538   8.525
   25   1HB   PRO   5          1HB       PRO   5  14.356  -6.121   6.134
   26   2HB   PRO   5          2HB       PRO   5  14.216  -7.762   6.833
   27   1HG   PRO   5          1HG       PRO   5  12.399  -6.455   4.778
   28   2HG   PRO   5          2HG       PRO   5  13.172  -8.074   4.698
   29   1HD   PRO   5          1HD       PRO   5  10.611  -7.613   5.561
   30   2HD   PRO   5          2HD       PRO   5  11.604  -8.971   6.182
   31    H    THR   6           H        THR   6  11.253  -4.974   9.152
   32    HA   THR   6           HA       THR   6  10.505  -2.870   7.393
   33    HB   THR   6           HB       THR   6   9.765  -1.758   9.520
   34    HG1  THR   6           HG1      THR   6  11.538  -2.804  10.704
   35   1HG2  THR   6          1HG2      THR   6   8.042  -3.355  10.117
   36   2HG2  THR   6          2HG2      THR   6   8.997  -4.714   9.507
   37   3HG2  THR   6          3HG2      THR   6   8.323  -3.506   8.382
   38    H    TYR   7           H        TYR   7  11.855  -1.315   6.563
   39    HA   TYR   7           HA       TYR   7  13.652   0.087   8.369
   40   1HB   TYR   7          1HB       TYR   7  14.980  -1.918   7.657
   41   2HB   TYR   7          2HB       TYR   7  14.883  -1.354   5.996
   42    HD1  TYR   7           HD1      TYR   7  15.916  -0.223   9.459
   43    HD2  TYR   7           HD2      TYR   7  16.504   0.217   5.208
   44    HE1  TYR   7           HE1      TYR   7  17.866   1.240   9.882
   45    HE2  TYR   7           HE2      TYR   7  18.446   1.659   5.630
   46    HH   TYR   7           HH       TYR   7  18.976   3.243   8.272
   47    HA   PRO   8           HA       PRO   8  11.754   2.604   4.971
   48   1HB   PRO   8          1HB       PRO   8  10.752   4.651   6.489
   49   2HB   PRO   8          2HB       PRO   8   9.901   3.087   6.291
   50   1HG   PRO   8          1HG       PRO   8  11.690   3.964   8.581
   51   2HG   PRO   8          2HG       PRO   8  10.065   3.209   8.677
   52   1HD   PRO   8          1HD       PRO   8  12.382   1.770   8.926
   53   2HD   PRO   8          2HD       PRO   8  10.924   1.079   8.150
   54    H    GLY   9           H        GLY   9  12.442   4.872   4.294
   55   1HA   GLY   9          1HA       GLY   9  14.798   5.966   5.736
   56   2HA   GLY   9          2HA       GLY   9  14.989   5.402   4.072
   57    HA   PRO  11           HA       PRO  11  13.345   6.682  -4.526
   58   1HB   PRO  11          1HB       PRO  11  12.102   4.390  -3.684
   59   2HB   PRO  11          2HB       PRO  11  13.859   4.492  -4.008
   60   1HG   PRO  11          1HG       PRO  11  12.473   4.699  -1.322
   61   2HG   PRO  11          2HG       PRO  11  13.904   3.720  -1.775
   62   1HD   PRO  11          1HD       PRO  11  14.127   6.133  -0.572
   63   2HD   PRO  11          2HD       PRO  11  15.305   5.603  -1.811
   64    H    VAL  12           H        VAL  12  11.634   7.930  -5.172
   65    HA   VAL  12           HA       VAL  12   9.575   8.727  -3.282
   66    HB   VAL  12           HB       VAL  12   9.873   9.265  -6.264
   67   1HG1  VAL  12          1HG1      VAL  12   8.149  10.641  -4.147
   68   2HG1  VAL  12          2HG1      VAL  12   8.367  11.197  -5.823
   69   3HG1  VAL  12          3HG1      VAL  12   7.559   9.669  -5.504
   70   1HG2  VAL  12          1HG2      VAL  12  11.778  10.200  -4.974
   71   2HG2  VAL  12          2HG2      VAL  12  10.717  11.490  -5.544
   72   3HG2  VAL  12          3HG2      VAL  12  10.636  10.961  -3.855
   73    H    GLU  13           H        GLU  13   9.725   6.451  -6.134
   74    HA   GLU  13           HA       GLU  13   6.901   6.019  -6.095
   75   1HB   GLU  13          1HB       GLU  13   8.283   5.477  -8.016
   76   2HB   GLU  13          2HB       GLU  13   9.147   4.245  -7.131
   77   1HG   GLU  13          1HG       GLU  13   6.125   4.193  -7.527
   78   2HG   GLU  13          2HG       GLU  13   7.244   3.502  -8.691
   79    H    ASP  14           H        ASP  14   9.567   4.621  -4.251
   80    HA   ASP  14           HA       ASP  14   8.162   2.410  -3.067
   81   1HB   ASP  14          1HB       ASP  14  10.583   2.588  -2.938
   82   2HB   ASP  14          2HB       ASP  14  10.460   4.150  -2.118
   83    H    LEU  15           H        LEU  15   8.357   5.819  -2.298
   84    HA   LEU  15           HA       LEU  15   7.119   5.761   0.304
   85   1HB   LEU  15          1HB       LEU  15   8.664   7.522  -0.779
   86   2HB   LEU  15          2HB       LEU  15   7.248   8.116  -1.653
   87    HG   LEU  15           HG       LEU  15   7.448   7.907   1.371
   88   1HD1  LEU  15          1HD1      LEU  15   9.126   9.467   0.476
   89   2HD1  LEU  15          2HD1      LEU  15   7.848  10.343   1.327
   90   3HD1  LEU  15          3HD1      LEU  15   7.855  10.320  -0.449
   91   1HD2  LEU  15          1HD2      LEU  15   5.572   9.648   1.229
   92   2HD2  LEU  15          2HD2      LEU  15   5.122   8.001   0.782
   93   3HD2  LEU  15          3HD2      LEU  15   5.408   9.215  -0.483
   94    H    ILE  16           H        ILE  16   5.982   6.793  -2.931
   95    HA   ILE  16           HA       ILE  16   3.267   7.127  -2.401
   96    HB   ILE  16           HB       ILE  16   4.755   6.201  -4.890
   97   1HG1  ILE  16          1HG1      ILE  16   3.354   8.848  -4.424
   98   2HG1  ILE  16          2HG1      ILE  16   5.006   8.589  -3.844
   99   1HG2  ILE  16          1HG2      ILE  16   2.394   5.393  -5.112
  100   2HG2  ILE  16          2HG2      ILE  16   1.827   7.045  -4.801
  101   3HG2  ILE  16          3HG2      ILE  16   2.774   6.674  -6.250
  102   1HD1  ILE  16          1HD1      ILE  16   4.112   8.424  -6.750
  103   2HD1  ILE  16          2HD1      ILE  16   5.032   9.725  -5.986
  104   3HD1  ILE  16          3HD1      ILE  16   5.754   8.113  -6.135
  105    H    ARG  17           H        ARG  17   4.941   4.141  -3.469
  106    HA   ARG  17           HA       ARG  17   2.649   2.500  -3.532
  107   1HB   ARG  17          1HB       ARG  17   4.934   2.027  -4.572
  108   2HB   ARG  17          2HB       ARG  17   5.555   1.732  -2.939
  109   1HG   ARG  17          1HG       ARG  17   3.686  -0.080  -2.798
  110   2HG   ARG  17          2HG       ARG  17   3.595   0.067  -4.558
  111   1HD   ARG  17          1HD       ARG  17   5.990  -0.685  -2.851
  112   2HD   ARG  17          2HD       ARG  17   5.044  -1.771  -3.883
  113    HE   ARG  17           HE       ARG  17   6.081   0.324  -5.529
  114   1HH1  ARG  17          1HH1      ARG  17   7.271  -2.393  -3.560
  115   2HH1  ARG  17          2HH1      ARG  17   8.619  -2.711  -4.611
  116   1HH2  ARG  17          1HH2      ARG  17   8.048   0.160  -6.546
  117   2HH2  ARG  17          2HH2      ARG  17   9.129  -1.197  -6.319
  118    H    PHE  18           H        PHE  18   4.996   2.958  -0.852
  119    HA   PHE  18           HA       PHE  18   3.774   1.133   0.926
  120   1HB   PHE  18          1HB       PHE  18   5.999   2.060   1.173
  121   2HB   PHE  18          2HB       PHE  18   5.367   3.692   1.361
  122    HD1  PHE  18           HD1      PHE  18   4.528   4.488   3.486
  123    HD2  PHE  18           HD2      PHE  18   5.685   0.356   2.998
  124    HE1  PHE  18           HE1      PHE  18   4.534   4.183   5.953
  125    HE2  PHE  18           HE2      PHE  18   5.711   0.085   5.456
  126    HZ   PHE  18           HZ       PHE  18   5.129   1.981   6.938
  127    H    TYR  19           H        TYR  19   2.916   4.490   0.072
  128    HA   TYR  19           HA       TYR  19   1.064   4.718   2.321
  129   1HB   TYR  19          1HB       TYR  19   2.271   6.602   0.915
  130   2HB   TYR  19          2HB       TYR  19   0.876   6.470  -0.136
  131    HD1  TYR  19           HD1      TYR  19  -1.188   7.567   0.497
  132    HD2  TYR  19           HD2      TYR  19   1.893   6.896   3.427
  133    HE1  TYR  19           HE1      TYR  19  -2.481   8.890   2.169
  134    HE2  TYR  19           HE2      TYR  19   0.643   8.207   5.077
  135    HH   TYR  19           HH       TYR  19  -1.197   9.500   5.461
  136    H    ASN  20           H        ASN  20   0.853   4.095  -1.111
  137    HA   ASN  20           HA       ASN  20  -1.988   3.904  -1.370
  138   1HB   ASN  20          1HB       ASN  20  -0.391   4.161  -3.264
  139   2HB   ASN  20          2HB       ASN  20   0.162   2.500  -3.013
  140   1HD2  ASN  20          2HD2      ASN  20  -0.835   1.030  -4.420
  141   2HD2  ASN  20          1HD2      ASN  20  -2.515   1.200  -4.906
  142    H    ASP  21           H        ASP  21   0.380   1.679  -0.130
  143    HA   ASP  21           HA       ASP  21  -0.839  -0.834  -0.434
  144   1HB   ASP  21          1HB       ASP  21   1.469  -0.178   0.541
  145   2HB   ASP  21          2HB       ASP  21   0.648   0.036   2.070
  146    H    LEU  22           H        LEU  22  -1.102   1.423   2.344
  147    HA   LEU  22           HA       LEU  22  -3.128   0.074   3.742
  148   1HB   LEU  22          1HB       LEU  22  -2.209   2.982   3.680
  149   2HB   LEU  22          2HB       LEU  22  -3.591   2.472   4.638
  150    HG   LEU  22           HG       LEU  22  -2.146   0.765   5.774
  151   1HD1  LEU  22          1HD1      LEU  22  -0.266   0.519   4.274
  152   2HD1  LEU  22          2HD1      LEU  22   0.315   1.185   5.789
  153   3HD1  LEU  22          3HD1      LEU  22   0.118   2.256   4.383
  154   1HD2  LEU  22          1HD2      LEU  22  -2.731   2.928   6.808
  155   2HD2  LEU  22          2HD2      LEU  22  -1.308   3.683   6.064
  156   3HD2  LEU  22          3HD2      LEU  22  -1.117   2.404   7.290
  157    H    GLN  23           H        GLN  23  -3.334   2.518   1.153
  158    HA   GLN  23           HA       GLN  23  -6.191   2.860   1.322
  159   1HB   GLN  23          1HB       GLN  23  -4.364   3.297  -1.084
  160   2HB   GLN  23          2HB       GLN  23  -6.029   3.842  -0.921
  161   1HG   GLN  23          1HG       GLN  23  -5.348   5.241   1.055
  162   2HG   GLN  23          2HG       GLN  23  -3.673   4.733   0.781
  163   1HE2  GLN  23          2HE2      GLN  23  -6.428   6.155  -1.078
  164   2HE2  GLN  23          1HE2      GLN  23  -5.424   7.251  -2.023
  165    H    GLN  24           H        GLN  24  -4.106   0.518  -0.389
  166    HA   GLN  24           HA       GLN  24  -6.163  -0.501  -2.057
  167   1HB   GLN  24          1HB       GLN  24  -3.655  -0.745  -2.341
  168   2HB   GLN  24          2HB       GLN  24  -3.744  -2.057  -1.142
  169   1HG   GLN  24          1HG       GLN  24  -5.248  -3.326  -2.546
  170   2HG   GLN  24          2HG       GLN  24  -5.469  -1.964  -3.654
  171   1HE2  GLN  24          2HE2      GLN  24  -3.443  -1.164  -4.817
  172   2HE2  GLN  24          1HE2      GLN  24  -2.346  -2.441  -5.349
  173    H    TYR  25           H        TYR  25  -4.991  -1.446   1.137
  174    HA   TYR  25           HA       TYR  25  -6.867  -3.597   1.558
  175   1HB   TYR  25          1HB       TYR  25  -4.810  -3.349   2.891
  176   2HB   TYR  25          2HB       TYR  25  -5.389  -1.825   3.545
  177    HD1  TYR  25           HD1      TYR  25  -6.159  -1.933   5.771
  178    HD2  TYR  25           HD2      TYR  25  -6.701  -5.360   3.227
  179    HE1  TYR  25           HE1      TYR  25  -7.185  -3.145   7.649
  180    HE2  TYR  25           HE2      TYR  25  -7.709  -6.608   5.112
  181    HH   TYR  25           HH       TYR  25  -8.095  -6.591   7.468
  182    H    LEU  26           H        LEU  26  -7.479  -0.296   1.221
  183    HA   LEU  26           HA       LEU  26 -10.059  -0.558   2.631
  184   1HB   LEU  26          1HB       LEU  26  -8.359   1.919   2.003
  185   2HB   LEU  26          2HB       LEU  26  -9.958   2.012   2.715
  186    HG   LEU  26           HG       LEU  26  -7.684   0.474   4.007
  187   1HD1  LEU  26          1HD1      LEU  26  -7.357   2.431   5.487
  188   2HD1  LEU  26          2HD1      LEU  26  -8.544   3.357   4.551
  189   3HD1  LEU  26          3HD1      LEU  26  -7.015   2.845   3.808
  190   1HD2  LEU  26          1HD2      LEU  26  -9.130   0.779   6.046
  191   2HD2  LEU  26          2HD2      LEU  26  -9.911  -0.155   4.782
  192   3HD2  LEU  26          3HD2      LEU  26 -10.349   1.548   5.037
  193    H    ASN  27           H        ASN  27  -8.799  -0.663  -0.394
  194    HA   ASN  27           HA       ASN  27 -11.324   0.333  -1.553
  195   1HB   ASN  27          1HB       ASN  27  -8.414   0.331  -2.354
  196   2HB   ASN  27          2HB       ASN  27  -9.550  -0.011  -3.606
  197   1HD2  ASN  27          2HD2      ASN  27  -7.817   2.433  -2.527
  198   2HD2  ASN  27          1HD2      ASN  27  -8.953   3.774  -2.646
  199    H    VAL  28           H        VAL  28  -9.215  -2.369  -1.201
  200    HA   VAL  28           HA       VAL  28 -10.714  -3.947  -3.241
  201    HB   VAL  28           HB       VAL  28  -8.343  -4.614  -1.446
  202   1HG1  VAL  28          1HG1      VAL  28  -8.096  -6.655  -2.861
  203   2HG1  VAL  28          2HG1      VAL  28  -9.565  -6.684  -1.883
  204   3HG1  VAL  28          3HG1      VAL  28  -9.670  -6.296  -3.614
  205   1HG2  VAL  28          1HG2      VAL  28  -8.543  -4.102  -4.450
  206   2HG2  VAL  28          2HG2      VAL  28  -7.792  -3.022  -3.261
  207   3HG2  VAL  28          3HG2      VAL  28  -7.077  -4.604  -3.583
  208    H    VAL  29           H        VAL  29 -10.423  -3.382   0.258
  209    HA   VAL  29           HA       VAL  29 -12.084  -5.678   0.837
  210    HB   VAL  29           HB       VAL  29 -11.151  -3.444   2.649
  211   1HG1  VAL  29          1HG1      VAL  29 -12.402  -6.164   3.302
  212   2HG1  VAL  29          2HG1      VAL  29 -11.775  -4.994   4.494
  213   3HG1  VAL  29          3HG1      VAL  29 -13.196  -4.603   3.526
  214   1HG2  VAL  29          1HG2      VAL  29  -9.290  -4.832   1.765
  215   2HG2  VAL  29          2HG2      VAL  29  -9.556  -5.147   3.477
  216   3HG2  VAL  29          3HG2      VAL  29 -10.141  -6.301   2.264
  217    H    THR  30           H        THR  30 -12.746  -2.187   0.479
  218    HA   THR  30           HA       THR  30 -15.439  -2.402   1.238
  219    HB   THR  30           HB       THR  30 -15.528  -0.240  -0.110
  220    HG1  THR  30           HG1      THR  30 -13.461   0.541  -0.742
  221   1HG2  THR  30          1HG2      THR  30 -13.386  -0.542   2.055
  222   2HG2  THR  30          2HG2      THR  30 -15.111  -0.245   2.318
  223   3HG2  THR  30          3HG2      THR  30 -14.111   0.989   1.544
  224    H    ARG  31           H        ARG  31 -13.826  -2.794  -1.908
  225    HA   ARG  31           HA       ARG  31 -16.280  -3.116  -3.339
  226   1HB   ARG  31          1HB       ARG  31 -13.984  -2.626  -4.338
  227   2HB   ARG  31          2HB       ARG  31 -13.627  -4.356  -4.182
  228   1HG   ARG  31          1HG       ARG  31 -15.593  -4.871  -5.636
  229   2HG   ARG  31          2HG       ARG  31 -15.975  -3.152  -5.738
  230   1HD   ARG  31          1HD       ARG  31 -13.484  -4.547  -6.805
  231   2HD   ARG  31          2HD       ARG  31 -14.863  -4.012  -7.765
  232    HE   ARG  31           HE       ARG  31 -12.607  -2.473  -6.996
  233   1HH1  ARG  31          1HH1      ARG  31 -16.110  -2.077  -7.661
  234   2HH1  ARG  31          2HH1      ARG  31 -15.904  -0.397  -8.067
  235   1HH2  ARG  31          1HH2      ARG  31 -12.429  -0.380  -7.553
  236   2HH2  ARG  31          2HH2      ARG  31 -13.780   0.597  -8.062
  237    H    HIS  32           H        HIS  32 -14.688  -5.275  -1.236
  238    HA   HIS  32           HA       HIS  32 -16.360  -7.558  -2.200
  239   1HB   HIS  32          1HB       HIS  32 -13.606  -7.375  -1.381
  240   2HB   HIS  32          2HB       HIS  32 -14.443  -8.364  -0.197
  241    HD1  HIS  32           HD1      HIS  32 -15.040 -10.845  -0.984
  242    HD2  HIS  32           HD2      HIS  32 -13.938  -8.140  -4.048
  243    HE1  HIS  32           HE1      HIS  32 -14.802 -12.214  -3.096
  244    H    ARG  33           H        ARG  33 -16.046  -5.419   0.571
  245    HA   ARG  33           HA       ARG  33 -18.061  -7.125   2.004
  246   1HB   ARG  33          1HB       ARG  33 -15.991  -5.295   3.249
  247   2HB   ARG  33          2HB       ARG  33 -17.016  -6.453   4.074
  248   1HG   ARG  33          1HG       ARG  33 -14.725  -7.145   2.175
  249   2HG   ARG  33          2HG       ARG  33 -14.677  -7.147   3.932
  250   1HD   ARG  33          1HD       ARG  33 -16.280  -8.997   4.049
  251   2HD   ARG  33          2HD       ARG  33 -16.537  -8.942   2.302
  252    HE   ARG  33           HE       ARG  33 -14.670 -10.193   1.988
  253   1HH1  ARG  33          1HH1      ARG  33 -14.461  -8.938   5.334
  254   2HH1  ARG  33          2HH1      ARG  33 -12.856  -9.546   5.569
  255   1HH2  ARG  33          1HH2      ARG  33 -12.642 -11.073   2.375
  256   2HH2  ARG  33          2HH2      ARG  33 -11.863 -10.924   3.938
  257    H    TYR  34           H        TYR  34 -17.504  -3.789   0.808
  258    HA   TYR  34           HA       TYR  34 -19.445  -2.757   2.740
  259   1HB   TYR  34          1HB       TYR  34 -17.553  -1.360   2.057
  260   2HB   TYR  34          2HB       TYR  34 -18.102  -1.402   0.386
  261    HD1  TYR  34           HD1      TYR  34 -19.018   0.645  -0.302
  262    HD2  TYR  34           HD2      TYR  34 -19.821  -0.792   3.695
  263    HE1  TYR  34           HE1      TYR  34 -20.649   2.465   0.034
  264    HE2  TYR  34           HE2      TYR  34 -21.501   0.980   3.996
  265    HH   TYR  34           HH       TYR  34 -22.600   2.746   3.031
  266   1HN   NH2  35          1H        NH2  35 -19.814  -4.558  -0.230
  267   2HN   NH2  35          2H        NH2  35 -21.392  -3.908  -0.576
  268   2HN   ZAB  10          H         AZO  10  13.318   7.658   6.194
  269   2HA   ZAB  10          2HA       AZO  10  11.962   9.246   4.228
  270   3HA   ZAB  10          3HA       AZO  10  12.381   9.742   5.885
  271    HG2  ZAB  10           HG2      AZO  10  15.401   9.571   5.784
  272    HD2  ZAB  10           HD2      AZO  10  17.147  11.021   4.806
  273    HE   ZAB  10           HE       AZO  10  16.616  12.516   2.905
  274    HG1  ZAB  10           HG1      AZO  10  12.535  11.119   2.937
  275    HJ2  ZAB  10           HJ2      AZO  10  16.352  13.815  -1.074
  276    HK2  ZAB  10           HK2      AZO  10  17.410  12.412  -2.815
  277    HL   ZAB  10           HL       AZO  10  16.912   9.988  -2.938
  278    HJ1  ZAB  10           HJ1      AZO  10  14.317  10.361   0.498
  279   2HM   ZAB  10          2HM       AZO  10  16.156   7.992  -1.516
  280   3HM   ZAB  10          3HM       AZO  10  14.867   8.228  -0.325
  Start of MODEL   16
    1   1H    GLY   1          H         GLY   1  19.197  -9.755  15.771
    2   1HA   GLY   1          1HA       GLY   1  16.433 -10.233  16.719
    3   2HA   GLY   1          2HA       GLY   1  17.080  -8.662  16.225
    4    HA   PRO   2           HA       PRO   2  15.120 -11.129  12.629
    5   1HB   PRO   2          1HB       PRO   2  12.712  -9.826  12.378
    6   2HB   PRO   2          2HB       PRO   2  12.968 -11.237  13.445
    7   1HG   PRO   2          1HG       PRO   2  13.040  -8.301  14.192
    8   2HG   PRO   2          2HG       PRO   2  12.149  -9.623  15.012
    9   1HD   PRO   2          1HD       PRO   2  14.564  -8.726  15.865
   10   2HD   PRO   2          2HD       PRO   2  14.150 -10.471  15.957
   11    H    SER   3           H        SER   3  14.562 -10.203  10.478
   12    HA   SER   3           HA       SER   3  16.415  -8.241   9.685
   13   1HB   SER   3          1HB       SER   3  15.510 -10.104   8.279
   14   2HB   SER   3          2HB       SER   3  13.970  -9.256   8.170
   15    HG   SER   3           HG       SER   3  16.503  -8.288   7.295
   16    H    GLN   4           H        GLN   4  12.828  -8.036   9.654
   17    HA   GLN   4           HA       GLN   4  11.397  -6.316   9.445
   18   1HB   GLN   4          1HB       GLN   4  13.039  -5.341  11.805
   19   2HB   GLN   4          2HB       GLN   4  11.433  -4.741  11.340
   20   1HG   GLN   4          1HG       GLN   4  10.566  -7.104  11.489
   21   2HG   GLN   4          2HG       GLN   4  12.125  -7.590  12.156
   22   1HE2  GLN   4          2HE2      GLN   4  12.792  -5.690  14.055
   23   2HE2  GLN   4          1HE2      GLN   4  11.489  -5.525  15.203
   24    HA   PRO   5           HA       PRO   5  14.320  -3.578   7.046
   25   1HB   PRO   5          1HB       PRO   5  13.401  -4.086   4.537
   26   2HB   PRO   5          2HB       PRO   5  14.565  -5.143   5.366
   27   1HG   PRO   5          1HG       PRO   5  11.581  -5.512   5.086
   28   2HG   PRO   5          2HG       PRO   5  12.892  -6.719   4.876
   29   1HD   PRO   5          1HD       PRO   5  11.412  -6.419   7.186
   30   2HD   PRO   5          2HD       PRO   5  13.093  -7.045   7.140
   31    H    THR   6           H        THR   6  13.734  -1.472   7.032
   32    HA   THR   6           HA       THR   6  11.111  -0.621   6.145
   33    HB   THR   6           HB       THR   6  10.609  -1.165   8.394
   34    HG1  THR   6           HG1      THR   6  10.958   1.500   8.907
   35   1HG2  THR   6          1HG2      THR   6  12.732  -1.292   9.529
   36   2HG2  THR   6          2HG2      THR   6  11.769  -0.083  10.364
   37   3HG2  THR   6          3HG2      THR   6  13.073   0.421   9.263
   38    H    TYR   7           H        TYR   7  11.164   1.970   6.528
   39    HA   TYR   7           HA       TYR   7  13.851   2.980   5.737
   40   1HB   TYR   7          1HB       TYR   7  11.217   3.489   4.327
   41   2HB   TYR   7          2HB       TYR   7  12.678   4.431   4.077
   42    HD1  TYR   7           HD1      TYR   7  11.112   1.111   3.540
   43    HD2  TYR   7           HD2      TYR   7  14.581   3.578   2.844
   44    HE1  TYR   7           HE1      TYR   7  11.894  -0.486   1.820
   45    HE2  TYR   7           HE2      TYR   7  15.364   1.991   1.124
   46    HH   TYR   7           HH       TYR   7  14.669   0.233  -0.247
   47    HA   PRO   8           HA       PRO   8  11.926   5.594   9.082
   48   1HB   PRO   8          1HB       PRO   8  13.954   5.589  10.908
   49   2HB   PRO   8          2HB       PRO   8  12.821   4.217  10.730
   50   1HG   PRO   8          1HG       PRO   8  15.559   4.512   9.447
   51   2HG   PRO   8          2HG       PRO   8  14.948   3.147  10.456
   52   1HD   PRO   8          1HD       PRO   8  14.840   3.036   7.748
   53   2HD   PRO   8          2HD       PRO   8  13.483   2.430   8.740
   54    H    GLY   9           H        GLY   9  13.668   6.171   6.549
   55   1HA   GLY   9          1HA       GLY   9  14.339   8.917   7.194
   56   2HA   GLY   9          2HA       GLY   9  15.734   7.932   6.695
   57    HA   PRO  11           HA       PRO  11  11.789  10.609  -3.889
   58   1HB   PRO  11          1HB       PRO  11  11.779   7.884  -3.508
   59   2HB   PRO  11          2HB       PRO  11  13.268   8.863  -3.617
   60   1HG   PRO  11          1HG       PRO  11  11.863   7.922  -1.096
   61   2HG   PRO  11          2HG       PRO  11  13.600   7.827  -1.493
   62   1HD   PRO  11          1HD       PRO  11  12.538   9.799   0.048
   63   2HD   PRO  11          2HD       PRO  11  13.886  10.123  -1.066
   64    H    VAL  12           H        VAL  12   9.687  11.502  -3.986
   65    HA   VAL  12           HA       VAL  12   7.505  10.633  -2.480
   66    HB   VAL  12           HB       VAL  12   7.248  11.807  -5.267
   67   1HG1  VAL  12          1HG1      VAL  12   5.253  12.915  -4.284
   68   2HG1  VAL  12          2HG1      VAL  12   5.121  11.161  -4.299
   69   3HG1  VAL  12          3HG1      VAL  12   5.511  11.988  -2.779
   70   1HG2  VAL  12          1HG2      VAL  12   7.815  13.267  -2.648
   71   2HG2  VAL  12          2HG2      VAL  12   8.863  13.217  -4.076
   72   3HG2  VAL  12          3HG2      VAL  12   7.308  14.047  -4.160
   73    H    GLU  13           H        GLU  13   8.911   9.057  -5.313
   74    HA   GLU  13           HA       GLU  13   6.641   7.446  -5.993
   75   1HB   GLU  13          1HB       GLU  13   8.744   7.857  -7.363
   76   2HB   GLU  13          2HB       GLU  13   9.590   6.726  -6.294
   77   1HG   GLU  13          1HG       GLU  13   7.917   4.966  -6.910
   78   2HG   GLU  13          2HG       GLU  13   7.117   6.118  -7.982
   79    H    ASP  14           H        ASP  14   9.231   7.107  -3.564
   80    HA   ASP  14           HA       ASP  14   8.535   4.406  -2.750
   81   1HB   ASP  14          1HB       ASP  14  10.841   5.302  -2.603
   82   2HB   ASP  14          2HB       ASP  14  10.264   6.570  -1.515
   83    H    LEU  15           H        LEU  15   7.592   7.670  -1.923
   84    HA   LEU  15           HA       LEU  15   6.436   7.027   0.612
   85   1HB   LEU  15          1HB       LEU  15   7.406   9.289  -0.304
   86   2HB   LEU  15          2HB       LEU  15   5.854   9.448  -1.140
   87    HG   LEU  15           HG       LEU  15   4.792   8.958   1.138
   88   1HD1  LEU  15          1HD1      LEU  15   6.827   8.184   2.353
   89   2HD1  LEU  15          2HD1      LEU  15   6.160   9.628   3.107
   90   3HD1  LEU  15          3HD1      LEU  15   7.594   9.754   2.077
   91   1HD2  LEU  15          1HD2      LEU  15   4.749  11.197   0.077
   92   2HD2  LEU  15          2HD2      LEU  15   6.311  11.565   0.844
   93   3HD2  LEU  15          3HD2      LEU  15   4.875  11.302   1.842
   94    H    ILE  16           H        ILE  16   5.168   7.608  -2.704
   95    HA   ILE  16           HA       ILE  16   2.412   7.243  -1.958
   96    HB   ILE  16           HB       ILE  16   3.817   7.117  -4.649
   97   1HG1  ILE  16          1HG1      ILE  16   3.830   9.347  -3.729
   98   2HG1  ILE  16          2HG1      ILE  16   2.666   9.285  -5.038
   99   1HG2  ILE  16          1HG2      ILE  16   0.815   6.997  -4.127
  100   2HG2  ILE  16          2HG2      ILE  16   1.567   7.315  -5.707
  101   3HG2  ILE  16          3HG2      ILE  16   1.820   5.765  -4.917
  102   1HD1  ILE  16          1HD1      ILE  16   2.022   9.335  -2.066
  103   2HD1  ILE  16          2HD1      ILE  16   1.860  10.646  -3.226
  104   3HD1  ILE  16          3HD1      ILE  16   0.816   9.221  -3.376
  105    H    ARG  17           H        ARG  17   4.901   4.888  -3.160
  106    HA   ARG  17           HA       ARG  17   2.985   2.790  -3.357
  107   1HB   ARG  17          1HB       ARG  17   5.192   2.542  -4.357
  108   2HB   ARG  17          2HB       ARG  17   5.981   2.757  -2.799
  109   1HG   ARG  17          1HG       ARG  17   4.843   0.581  -2.032
  110   2HG   ARG  17          2HG       ARG  17   4.318   0.364  -3.712
  111   1HD   ARG  17          1HD       ARG  17   7.189   0.584  -2.707
  112   2HD   ARG  17          2HD       ARG  17   6.380  -0.904  -3.109
  113    HE   ARG  17           HE       ARG  17   7.382   1.185  -4.939
  114   1HH1  ARG  17          1HH1      ARG  17   5.577  -1.863  -4.612
  115   2HH1  ARG  17          2HH1      ARG  17   5.849  -2.341  -6.257
  116   1HH2  ARG  17          1HH2      ARG  17   7.718   0.549  -7.123
  117   2HH2  ARG  17          2HH2      ARG  17   7.151  -0.996  -7.678
  118    H    PHE  18           H        PHE  18   4.976   3.781  -0.578
  119    HA   PHE  18           HA       PHE  18   4.050   1.819   1.236
  120   1HB   PHE  18          1HB       PHE  18   5.996   3.306   1.545
  121   2HB   PHE  18          2HB       PHE  18   4.943   4.706   1.676
  122    HD1  PHE  18           HD1      PHE  18   3.802   5.233   3.771
  123    HD2  PHE  18           HD2      PHE  18   6.039   1.573   3.331
  124    HE1  PHE  18           HE1      PHE  18   3.766   4.906   6.222
  125    HE2  PHE  18           HE2      PHE  18   6.029   1.278   5.788
  126    HZ   PHE  18           HZ       PHE  18   4.905   2.949   7.242
  127    H    TYR  19           H        TYR  19   2.608   4.879   0.172
  128    HA   TYR  19           HA       TYR  19   0.572   4.987   2.223
  129   1HB   TYR  19          1HB       TYR  19   1.540   6.861   0.722
  130   2HB   TYR  19          2HB       TYR  19   0.480   6.289  -0.536
  131    HD1  TYR  19           HD1      TYR  19  -1.872   6.812  -0.526
  132    HD2  TYR  19           HD2      TYR  19   0.592   7.767   2.883
  133    HE1  TYR  19           HE1      TYR  19  -3.702   8.206   0.412
  134    HE2  TYR  19           HE2      TYR  19  -1.205   9.192   3.792
  135    HH   TYR  19           HH       TYR  19  -3.320  10.180   3.351
  136    H    ASN  20           H        ASN  20   0.691   3.980  -1.127
  137    HA   ASN  20           HA       ASN  20  -2.010   3.324  -1.582
  138   1HB   ASN  20          1HB       ASN  20  -0.297   3.586  -3.353
  139   2HB   ASN  20          2HB       ASN  20   0.415   2.036  -2.883
  140   1HD2  ASN  20          2HD2      ASN  20  -0.131   0.624  -4.606
  141   2HD2  ASN  20          1HD2      ASN  20  -1.725   0.580  -5.316
  142    H    ASP  21           H        ASP  21   0.529   1.317  -0.066
  143    HA   ASP  21           HA       ASP  21  -0.774  -1.201  -0.355
  144   1HB   ASP  21          1HB       ASP  21   1.556  -0.826   0.588
  145   2HB   ASP  21          2HB       ASP  21   0.800  -0.365   2.116
  146    H    LEU  22           H        LEU  22  -1.161   1.310   2.138
  147    HA   LEU  22           HA       LEU  22  -3.245  -0.065   3.603
  148   1HB   LEU  22          1HB       LEU  22  -2.426   2.862   3.532
  149   2HB   LEU  22          2HB       LEU  22  -3.575   2.174   4.679
  150    HG   LEU  22           HG       LEU  22  -0.685   1.213   4.433
  151   1HD1  LEU  22          1HD1      LEU  22  -0.205   2.531   6.420
  152   2HD1  LEU  22          2HD1      LEU  22  -1.861   3.194   6.411
  153   3HD1  LEU  22          3HD1      LEU  22  -0.728   3.577   5.084
  154   1HD2  LEU  22          1HD2      LEU  22  -2.784   0.812   6.620
  155   2HD2  LEU  22          2HD2      LEU  22  -1.088   0.286   6.703
  156   3HD2  LEU  22          3HD2      LEU  22  -2.166  -0.432   5.513
  157    H    GLN  23           H        GLN  23  -3.219   2.334   0.944
  158    HA   GLN  23           HA       GLN  23  -6.064   2.773   0.999
  159   1HB   GLN  23          1HB       GLN  23  -4.143   3.057  -1.353
  160   2HB   GLN  23          2HB       GLN  23  -5.813   3.600  -1.318
  161   1HG   GLN  23          1HG       GLN  23  -5.191   5.038   0.711
  162   2HG   GLN  23          2HG       GLN  23  -3.503   4.711   0.297
  163   1HE2  GLN  23          2HE2      GLN  23  -5.991   6.944  -0.197
  164   2HE2  GLN  23          1HE2      GLN  23  -5.541   7.555  -1.751
  165    H    GLN  24           H        GLN  24  -4.050   0.277  -0.571
  166    HA   GLN  24           HA       GLN  24  -6.028  -0.814  -2.281
  167   1HB   GLN  24          1HB       GLN  24  -3.584  -1.256  -2.444
  168   2HB   GLN  24          2HB       GLN  24  -3.694  -2.238  -0.977
  169   1HG   GLN  24          1HG       GLN  24  -5.292  -3.762  -2.087
  170   2HG   GLN  24          2HG       GLN  24  -5.257  -2.762  -3.544
  171   1HE2  GLN  24          2HE2      GLN  24  -2.953  -2.508  -4.559
  172   2HE2  GLN  24          1HE2      GLN  24  -2.074  -4.034  -4.610
  173    H    TYR  25           H        TYR  25  -5.101  -1.490   1.047
  174    HA   TYR  25           HA       TYR  25  -6.873  -3.613   1.618
  175   1HB   TYR  25          1HB       TYR  25  -4.957  -1.994   2.981
  176   2HB   TYR  25          2HB       TYR  25  -6.439  -1.748   3.858
  177    HD1  TYR  25           HD1      TYR  25  -7.285  -3.462   5.330
  178    HD2  TYR  25           HD2      TYR  25  -3.996  -4.283   2.664
  179    HE1  TYR  25           HE1      TYR  25  -6.768  -5.527   6.601
  180    HE2  TYR  25           HE2      TYR  25  -3.433  -6.297   3.952
  181    HH   TYR  25           HH       TYR  25  -4.965  -6.965   7.069
  182    H    LEU  26           H        LEU  26  -7.607  -0.321   1.062
  183    HA   LEU  26           HA       LEU  26 -10.332  -0.577   2.221
  184   1HB   LEU  26          1HB       LEU  26  -8.663   1.874   1.544
  185   2HB   LEU  26          2HB       LEU  26 -10.313   1.936   2.148
  186    HG   LEU  26           HG       LEU  26  -8.039   0.613   3.706
  187   1HD1  LEU  26          1HD1      LEU  26  -7.919   2.672   5.042
  188   2HD1  LEU  26          2HD1      LEU  26  -9.033   3.474   3.913
  189   3HD1  LEU  26          3HD1      LEU  26  -7.430   2.912   3.359
  190   1HD2  LEU  26          1HD2      LEU  26  -9.524   0.924   5.643
  191   2HD2  LEU  26          2HD2      LEU  26 -10.294  -0.076   4.414
  192   3HD2  LEU  26          3HD2      LEU  26 -10.774   1.629   4.600
  193    H    ASN  27           H        ASN  27  -8.650  -0.813  -0.626
  194    HA   ASN  27           HA       ASN  27 -10.979  -0.080  -2.270
  195   1HB   ASN  27          1HB       ASN  27  -8.047   0.227  -2.604
  196   2HB   ASN  27          2HB       ASN  27  -8.707  -0.680  -3.935
  197   1HD2  ASN  27          2HD2      ASN  27  -7.532   1.962  -3.974
  198   2HD2  ASN  27          1HD2      ASN  27  -8.743   2.779  -4.895
  199    H    VAL  28           H        VAL  28  -9.546  -2.795  -1.046
  200    HA   VAL  28           HA       VAL  28 -10.826  -4.459  -3.163
  201    HB   VAL  28           HB       VAL  28  -8.352  -4.958  -1.434
  202   1HG1  VAL  28          1HG1      VAL  28  -9.432  -7.115  -1.838
  203   2HG1  VAL  28          2HG1      VAL  28  -9.596  -6.754  -3.572
  204   3HG1  VAL  28          3HG1      VAL  28  -7.994  -6.997  -2.837
  205   1HG2  VAL  28          1HG2      VAL  28  -7.136  -4.940  -3.612
  206   2HG2  VAL  28          2HG2      VAL  28  -8.643  -4.498  -4.439
  207   3HG2  VAL  28          3HG2      VAL  28  -7.882  -3.385  -3.282
  208    H    VAL  29           H        VAL  29 -10.854  -3.572   0.117
  209    HA   VAL  29           HA       VAL  29 -12.379  -6.030   0.846
  210    HB   VAL  29           HB       VAL  29 -11.195  -3.812   2.527
  211   1HG1  VAL  29          1HG1      VAL  29 -12.490  -6.440   3.378
  212   2HG1  VAL  29          2HG1      VAL  29 -11.587  -5.342   4.422
  213   3HG1  VAL  29          3HG1      VAL  29 -13.111  -4.802   3.707
  214   1HG2  VAL  29          1HG2      VAL  29  -9.563  -5.546   3.217
  215   2HG2  VAL  29          2HG2      VAL  29 -10.264  -6.675   2.039
  216   3HG2  VAL  29          3HG2      VAL  29  -9.437  -5.199   1.499
  217    H    THR  30           H        THR  30 -12.689  -2.529   1.379
  218    HA   THR  30           HA       THR  30 -15.504  -2.727   1.878
  219    HB   THR  30           HB       THR  30 -14.858  -0.058   1.140
  220    HG1  THR  30           HG1      THR  30 -13.039   0.364   2.315
  221   1HG2  THR  30          1HG2      THR  30 -16.435  -0.760   2.894
  222   2HG2  THR  30          2HG2      THR  30 -15.251   0.400   3.510
  223   3HG2  THR  30          3HG2      THR  30 -15.092  -1.338   3.888
  224    H    ARG  31           H        ARG  31 -13.651  -2.455  -1.044
  225    HA   ARG  31           HA       ARG  31 -15.774  -1.513  -2.735
  226   1HB   ARG  31          1HB       ARG  31 -13.188  -1.531  -3.013
  227   2HB   ARG  31          2HB       ARG  31 -13.373  -3.196  -3.567
  228   1HG   ARG  31          1HG       ARG  31 -13.168  -1.711  -5.460
  229   2HG   ARG  31          2HG       ARG  31 -14.795  -2.365  -5.466
  230   1HD   ARG  31          1HD       ARG  31 -14.787   0.028  -5.991
  231   2HD   ARG  31          2HD       ARG  31 -15.663  -0.257  -4.490
  232    HE   ARG  31           HE       ARG  31 -12.871   0.327  -4.047
  233   1HH1  ARG  31          1HH1      ARG  31 -15.844   1.922  -5.069
  234   2HH1  ARG  31          2HH1      ARG  31 -15.423   3.495  -4.507
  235   1HH2  ARG  31          1HH2      ARG  31 -12.220   2.374  -3.340
  236   2HH2  ARG  31          2HH2      ARG  31 -13.312   3.738  -3.380
  237    H    HIS  32           H        HIS  32 -15.900  -4.232  -1.008
  238    HA   HIS  32           HA       HIS  32 -17.363  -5.777  -3.068
  239   1HB   HIS  32          1HB       HIS  32 -14.973  -6.568  -2.404
  240   2HB   HIS  32          2HB       HIS  32 -15.672  -6.999  -0.856
  241    HD1  HIS  32           HD1      HIS  32 -18.417  -8.330  -2.129
  242    HD2  HIS  32           HD2      HIS  32 -14.386  -8.935  -3.259
  243    HE1  HIS  32           HE1      HIS  32 -18.320 -10.596  -3.313
  244    H    ARG  33           H        ARG  33 -17.966  -3.759  -0.777
  245    HA   ARG  33           HA       ARG  33 -20.234  -5.212   0.366
  246   1HB   ARG  33          1HB       ARG  33 -18.423  -5.890   1.909
  247   2HB   ARG  33          2HB       ARG  33 -17.943  -4.213   2.115
  248   1HG   ARG  33          1HG       ARG  33 -19.107  -4.923   4.067
  249   2HG   ARG  33          2HG       ARG  33 -20.087  -3.718   3.266
  250   1HD   ARG  33          1HD       ARG  33 -21.559  -5.450   4.025
  251   2HD   ARG  33          2HD       ARG  33 -21.480  -5.581   2.268
  252    HE   ARG  33           HE       ARG  33 -20.617  -7.653   2.459
  253   1HH1  ARG  33          1HH1      ARG  33 -20.146  -6.012   5.613
  254   2HH1  ARG  33          2HH1      ARG  33 -19.629  -7.418   6.439
  255   1HH2  ARG  33          1HH2      ARG  33 -19.813  -9.554   3.597
  256   2HH2  ARG  33          2HH2      ARG  33 -19.296  -9.429   5.236
  257    H    TYR  34           H        TYR  34 -18.358  -2.143   0.189
  258    HA   TYR  34           HA       TYR  34 -20.756  -0.660   1.062
  259   1HB   TYR  34          1HB       TYR  34 -18.692  -0.462   2.383
  260   2HB   TYR  34          2HB       TYR  34 -17.808   0.049   0.939
  261    HD1  TYR  34           HD1      TYR  34 -17.004   2.120   1.772
  262    HD2  TYR  34           HD2      TYR  34 -21.253   1.271   1.895
  263    HE1  TYR  34           HE1      TYR  34 -17.462   4.484   2.292
  264    HE2  TYR  34           HE2      TYR  34 -21.705   3.616   2.406
  265    HH   TYR  34           HH       TYR  34 -20.693   5.762   2.227
  266   1HN   NH2  35          1H        NH2  35 -20.790  -1.786  -1.576
  267   2HN   NH2  35          2H        NH2  35 -20.684  -0.451  -2.697
  268   2HN   ZAB  10          H         AZO  10  15.328   6.562   4.649
  269   2HA   ZAB  10          2HA       AZO  10  14.301   6.228   2.560
  270   3HA   ZAB  10          3HA       AZO  10  13.423   7.764   2.705
  271    HG2  ZAB  10           HG2      AZO  10  16.057   6.199   1.054
  272    HD2  ZAB  10           HD2      AZO  10  17.947   7.331  -0.121
  273    HE   ZAB  10           HE       AZO  10  18.382   9.749   0.264
  274    HG1  ZAB  10           HG1      AZO  10  15.122   9.881   3.078
  275    HJ2  ZAB  10           HJ2      AZO  10  17.453  13.828  -0.698
  276    HK2  ZAB  10           HK2      AZO  10  15.763  14.819  -2.226
  277    HL   ZAB  10           HL       AZO  10  13.377  14.222  -1.997
  278    HJ1  ZAB  10           HJ1      AZO  10  14.324  11.686   1.358
  279   2HM   ZAB  10          2HM       AZO  10  12.064  11.853   0.629
  280   3HM   ZAB  10          3HM       AZO  10  11.658  13.472   0.036
  Start of MODEL   17
    1   1H    GLY   1          H         GLY   1  -2.668 -14.952   1.981
    2   1HA   GLY   1          1HA       GLY   1  -1.104 -15.249   3.958
    3   2HA   GLY   1          2HA       GLY   1  -0.038 -14.145   3.063
    4    HA   PRO   2           HA       PRO   2  -4.102 -11.744   4.144
    5   1HB   PRO   2          1HB       PRO   2  -5.610 -12.656   6.260
    6   2HB   PRO   2          2HB       PRO   2  -5.833 -13.163   4.564
    7   1HG   PRO   2          1HG       PRO   2  -4.245 -14.606   6.701
    8   2HG   PRO   2          2HG       PRO   2  -5.508 -15.276   5.624
    9   1HD   PRO   2          1HD       PRO   2  -2.904 -15.534   4.994
   10   2HD   PRO   2          2HD       PRO   2  -4.090 -15.118   3.726
   11    H    SER   3           H        SER   3  -1.737 -12.910   6.450
   12    HA   SER   3           HA       SER   3  -2.191 -11.234   8.599
   13   1HB   SER   3          1HB       SER   3   0.354 -11.278   8.859
   14   2HB   SER   3          2HB       SER   3  -0.509 -12.820   8.863
   15    HG   SER   3           HG       SER   3   1.525 -12.346   7.489
   16    H    GLN   4           H        GLN   4  -0.896 -10.284   5.497
   17    HA   GLN   4           HA       GLN   4   0.292  -8.376   4.854
   18   1HB   GLN   4          1HB       GLN   4  -2.641  -7.828   5.248
   19   2HB   GLN   4          2HB       GLN   4  -1.571  -6.618   4.498
   20   1HG   GLN   4          1HG       GLN   4  -0.876  -8.137   2.766
   21   2HG   GLN   4          2HG       GLN   4  -1.596  -9.520   3.581
   22   1HE2  GLN   4          2HE2      GLN   4  -2.860 -10.128   1.697
   23   2HE2  GLN   4          1HE2      GLN   4  -4.254  -9.190   1.275
   24    HA   PRO   5           HA       PRO   5   1.145  -6.667   9.025
   25   1HB   PRO   5          1HB       PRO   5   3.837  -7.077   9.107
   26   2HB   PRO   5          2HB       PRO   5   2.628  -8.351   9.484
   27   1HG   PRO   5          1HG       PRO   5   4.080  -7.898   6.867
   28   2HG   PRO   5          2HG       PRO   5   3.874  -9.426   7.766
   29   1HD   PRO   5          1HD       PRO   5   2.241  -8.728   5.704
   30   2HD   PRO   5          2HD       PRO   5   1.638  -9.624   7.132
   31    H    THR   6           H        THR   6   0.774  -4.514   8.717
   32    HA   THR   6           HA       THR   6   1.991  -2.894   6.722
   33    HB   THR   6           HB       THR   6   1.022  -1.129   8.451
   34    HG1  THR   6           HG1      THR   6  -0.231  -1.915   9.951
   35   1HG2  THR   6          1HG2      THR   6  -1.268  -1.552   7.546
   36   2HG2  THR   6          2HG2      THR   6  -0.713  -3.132   6.948
   37   3HG2  THR   6          3HG2      THR   6  -0.023  -1.640   6.287
   38    H    TYR   7           H        TYR   7   3.537  -1.134   7.155
   39    HA   TYR   7           HA       TYR   7   5.268  -1.555   9.550
   40   1HB   TYR   7          1HB       TYR   7   6.203  -2.605   7.452
   41   2HB   TYR   7          2HB       TYR   7   6.317  -0.998   6.766
   42    HD1  TYR   7           HD1      TYR   7   7.691  -3.396   9.189
   43    HD2  TYR   7           HD2      TYR   7   7.906   0.700   7.838
   44    HE1  TYR   7           HE1      TYR   7   9.831  -3.120  10.375
   45    HE2  TYR   7           HE2      TYR   7  10.050   0.984   9.039
   46    HH   TYR   7           HH       TYR   7  11.299  -1.355  11.278
   47    HA   PRO   8           HA       PRO   8   3.773   2.803   9.108
   48   1HB   PRO   8          1HB       PRO   8   3.226   3.324  11.735
   49   2HB   PRO   8          2HB       PRO   8   2.114   2.388  10.700
   50   1HG   PRO   8          1HG       PRO   8   4.215   1.317  12.611
   51   2HG   PRO   8          2HG       PRO   8   2.482   0.866  12.509
   52   1HD   PRO   8          1HD       PRO   8   4.422  -0.596  11.276
   53   2HD   PRO   8          2HD       PRO   8   2.820  -0.357  10.513
   54    H    GLY   9           H        GLY   9   4.661   4.827  10.189
   55   1HA   GLY   9          1HA       GLY   9   6.312   5.958  11.466
   56   2HA   GLY   9          2HA       GLY   9   7.357   4.538  11.412
   57    HA   PRO  11           HA       PRO  11  13.286   7.178  -0.175
   58   1HB   PRO  11          1HB       PRO  11  11.230   5.464  -0.726
   59   2HB   PRO  11          2HB       PRO  11  12.598   5.026   0.338
   60   1HG   PRO  11          1HG       PRO  11   9.849   5.962   1.162
   61   2HG   PRO  11          2HG       PRO  11  10.797   4.602   1.803
   62   1HD   PRO  11          1HD       PRO  11  10.726   7.061   3.010
   63   2HD   PRO  11          2HD       PRO  11  12.181   6.025   3.044
   64    H    VAL  12           H        VAL  12  12.084   7.090  -2.301
   65    HA   VAL  12           HA       VAL  12  10.142   9.340  -2.540
   66    HB   VAL  12           HB       VAL  12  12.507   8.501  -4.229
   67   1HG1  VAL  12          1HG1      VAL  12  10.277  10.373  -5.065
   68   2HG1  VAL  12          2HG1      VAL  12  11.846  10.209  -5.896
   69   3HG1  VAL  12          3HG1      VAL  12  10.729   8.849  -5.857
   70   1HG2  VAL  12          1HG2      VAL  12  13.175  10.839  -3.961
   71   2HG2  VAL  12          2HG2      VAL  12  11.697  11.169  -3.026
   72   3HG2  VAL  12          3HG2      VAL  12  12.944  10.079  -2.381
   73    H    GLU  13           H        GLU  13  11.112   6.482  -4.603
   74    HA   GLU  13           HA       GLU  13   8.321   6.229  -5.407
   75   1HB   GLU  13          1HB       GLU  13  10.838   4.580  -5.870
   76   2HB   GLU  13          2HB       GLU  13   9.248   3.992  -6.359
   77   1HG   GLU  13          1HG       GLU  13  10.378   6.679  -7.251
   78   2HG   GLU  13          2HG       GLU  13  10.501   5.198  -8.187
   79    H    ASP  14           H        ASP  14  10.442   4.389  -3.176
   80    HA   ASP  14           HA       ASP  14   8.473   2.491  -2.517
   81   1HB   ASP  14          1HB       ASP  14  11.058   2.654  -1.921
   82   2HB   ASP  14          2HB       ASP  14  10.434   3.301  -0.397
   83    H    LEU  15           H        LEU  15   8.749   5.823  -1.472
   84    HA   LEU  15           HA       LEU  15   7.120   5.641   0.873
   85   1HB   LEU  15          1HB       LEU  15   8.561   7.573   0.535
   86   2HB   LEU  15          2HB       LEU  15   7.801   7.933  -1.016
   87    HG   LEU  15           HG       LEU  15   5.719   8.512   0.060
   88   1HD1  LEU  15          1HD1      LEU  15   5.702   7.058   2.044
   89   2HD1  LEU  15          2HD1      LEU  15   5.639   8.728   2.574
   90   3HD1  LEU  15          3HD1      LEU  15   7.178   7.832   2.663
   91   1HD2  LEU  15          1HD2      LEU  15   6.471  10.547   1.250
   92   2HD2  LEU  15          2HD2      LEU  15   7.352  10.248  -0.248
   93   3HD2  LEU  15          3HD2      LEU  15   8.120   9.888   1.313
   94    H    ILE  16           H        ILE  16   6.469   6.265  -2.604
   95    HA   ILE  16           HA       ILE  16   3.651   6.760  -2.223
   96    HB   ILE  16           HB       ILE  16   5.188   5.846  -4.698
   97   1HG1  ILE  16          1HG1      ILE  16   6.017   7.983  -3.978
   98   2HG1  ILE  16          2HG1      ILE  16   5.039   8.206  -5.410
   99   1HG2  ILE  16          1HG2      ILE  16   3.228   6.740  -5.975
  100   2HG2  ILE  16          2HG2      ILE  16   2.842   5.311  -5.013
  101   3HG2  ILE  16          3HG2      ILE  16   2.342   6.915  -4.443
  102   1HD1  ILE  16          1HD1      ILE  16   3.164   9.039  -3.956
  103   2HD1  ILE  16          2HD1      ILE  16   4.254   8.902  -2.551
  104   3HD1  ILE  16          3HD1      ILE  16   4.636  10.019  -3.869
  105    H    ARG  17           H        ARG  17   5.619   3.837  -2.844
  106    HA   ARG  17           HA       ARG  17   3.407   2.014  -3.063
  107   1HB   ARG  17          1HB       ARG  17   6.320   1.644  -2.236
  108   2HB   ARG  17          2HB       ARG  17   5.154   0.334  -2.115
  109   1HG   ARG  17          1HG       ARG  17   6.350   0.113  -4.169
  110   2HG   ARG  17          2HG       ARG  17   4.650   0.440  -4.470
  111   1HD   ARG  17          1HD       ARG  17   5.339   2.892  -4.928
  112   2HD   ARG  17          2HD       ARG  17   7.010   2.340  -4.760
  113    HE   ARG  17           HE       ARG  17   6.948   1.498  -6.846
  114   1HH1  ARG  17          1HH1      ARG  17   3.641   1.951  -5.766
  115   2HH1  ARG  17          2HH1      ARG  17   2.976   0.905  -6.963
  116   1HH2  ARG  17          1HH2      ARG  17   5.987   0.755  -8.841
  117   2HH2  ARG  17          2HH2      ARG  17   4.255   0.530  -8.941
  118    H    PHE  18           H        PHE  18   5.234   3.157  -0.230
  119    HA   PHE  18           HA       PHE  18   3.824   1.681   1.718
  120   1HB   PHE  18          1HB       PHE  18   6.047   2.623   2.077
  121   2HB   PHE  18          2HB       PHE  18   5.475   4.233   1.740
  122    HD1  PHE  18           HD1      PHE  18   6.232   5.367   3.630
  123    HD2  PHE  18           HD2      PHE  18   3.865   1.795   4.140
  124    HE1  PHE  18           HE1      PHE  18   6.025   5.846   6.053
  125    HE2  PHE  18           HE2      PHE  18   3.620   2.310   6.533
  126    HZ   PHE  18           HZ       PHE  18   4.719   4.322   7.512
  127    H    TYR  19           H        TYR  19   2.641   4.311  -0.127
  128    HA   TYR  19           HA       TYR  19   0.619   4.970   1.960
  129   1HB   TYR  19          1HB       TYR  19   2.118   6.509   0.108
  130   2HB   TYR  19          2HB       TYR  19   0.506   6.457  -0.569
  131    HD1  TYR  19           HD1      TYR  19  -1.373   6.613   1.551
  132    HD2  TYR  19           HD2      TYR  19   2.531   8.440   1.318
  133    HE1  TYR  19           HE1      TYR  19  -2.153   8.433   2.980
  134    HE2  TYR  19           HE2      TYR  19   1.747  10.293   2.764
  135    HH   TYR  19           HH       TYR  19  -1.695  10.598   3.650
  136    H    ASN  20           H        ASN  20   1.030   3.949  -1.355
  137    HA   ASN  20           HA       ASN  20  -1.538   3.621  -2.281
  138   1HB   ASN  20          1HB       ASN  20   0.552   3.734  -3.525
  139   2HB   ASN  20          2HB       ASN  20   1.041   2.159  -2.933
  140   1HD2  ASN  20          2HD2      ASN  20   0.248   0.321  -3.923
  141   2HD2  ASN  20          1HD2      ASN  20  -0.665   0.357  -5.401
  142    H    ASP  21           H        ASP  21   0.296   1.240  -0.299
  143    HA   ASP  21           HA       ASP  21  -1.632  -0.872  -1.003
  144   1HB   ASP  21          1HB       ASP  21   0.796  -1.365  -0.481
  145   2HB   ASP  21          2HB       ASP  21   0.409  -1.089   1.225
  146    H    LEU  22           H        LEU  22  -1.180   1.351   1.683
  147    HA   LEU  22           HA       LEU  22  -3.038   0.221   3.536
  148   1HB   LEU  22          1HB       LEU  22  -2.118   3.083   3.026
  149   2HB   LEU  22          2HB       LEU  22  -3.295   2.714   4.271
  150    HG   LEU  22           HG       LEU  22  -0.542   1.419   4.221
  151   1HD1  LEU  22          1HD1      LEU  22  -1.440   3.926   5.721
  152   2HD1  LEU  22          2HD1      LEU  22  -0.332   3.888   4.329
  153   3HD1  LEU  22          3HD1      LEU  22   0.146   3.129   5.839
  154   1HD2  LEU  22          1HD2      LEU  22  -2.216   0.248   5.612
  155   2HD2  LEU  22          2HD2      LEU  22  -2.616   1.770   6.440
  156   3HD2  LEU  22          3HD2      LEU  22  -1.011   1.039   6.627
  157    H    GLN  23           H        GLN  23  -3.458   2.777   1.048
  158    HA   GLN  23           HA       GLN  23  -6.321   2.910   1.462
  159   1HB   GLN  23          1HB       GLN  23  -6.397   4.178  -0.652
  160   2HB   GLN  23          2HB       GLN  23  -5.167   4.795   0.454
  161   1HG   GLN  23          1HG       GLN  23  -3.391   3.724  -0.823
  162   2HG   GLN  23          2HG       GLN  23  -4.576   2.898  -1.838
  163   1HE2  GLN  23          2HE2      GLN  23  -4.107   3.736  -3.831
  164   2HE2  GLN  23          1HE2      GLN  23  -4.080   5.449  -4.203
  165    H    GLN  24           H        GLN  24  -4.324   0.702  -0.424
  166    HA   GLN  24           HA       GLN  24  -6.449  -0.260  -2.093
  167   1HB   GLN  24          1HB       GLN  24  -4.020  -0.529  -2.547
  168   2HB   GLN  24          2HB       GLN  24  -3.920  -1.683  -1.230
  169   1HG   GLN  24          1HG       GLN  24  -5.580  -3.134  -2.411
  170   2HG   GLN  24          2HG       GLN  24  -5.550  -1.996  -3.771
  171   1HE2  GLN  24          2HE2      GLN  24  -2.862  -1.390  -4.090
  172   2HE2  GLN  24          1HE2      GLN  24  -1.899  -2.844  -4.205
  173    H    TYR  25           H        TYR  25  -5.156  -1.205   1.043
  174    HA   TYR  25           HA       TYR  25  -6.826  -3.441   1.547
  175   1HB   TYR  25          1HB       TYR  25  -4.748  -2.434   2.826
  176   2HB   TYR  25          2HB       TYR  25  -5.931  -1.488   3.708
  177    HD1  TYR  25           HD1      TYR  25  -7.443  -2.592   5.354
  178    HD2  TYR  25           HD2      TYR  25  -4.603  -4.853   3.012
  179    HE1  TYR  25           HE1      TYR  25  -7.652  -4.488   6.936
  180    HE2  TYR  25           HE2      TYR  25  -4.773  -6.723   4.631
  181    HH   TYR  25           HH       TYR  25  -6.550  -6.606   7.628
  182    H    LEU  26           H        LEU  26  -7.714  -0.217   1.240
  183    HA   LEU  26           HA       LEU  26 -10.314  -0.641   2.568
  184   1HB   LEU  26          1HB       LEU  26  -8.765   1.947   2.059
  185   2HB   LEU  26          2HB       LEU  26 -10.346   1.874   2.826
  186    HG   LEU  26           HG       LEU  26  -7.868   0.519   3.977
  187   1HD1  LEU  26          1HD1      LEU  26  -7.751   2.423   5.539
  188   2HD1  LEU  26          2HD1      LEU  26  -9.043   3.246   4.628
  189   3HD1  LEU  26          3HD1      LEU  26  -7.471   2.912   3.868
  190   1HD2  LEU  26          1HD2      LEU  26  -9.167   0.492   6.072
  191   2HD2  LEU  26          2HD2      LEU  26  -9.971  -0.436   4.806
  192   3HD2  LEU  26          3HD2      LEU  26 -10.571   1.181   5.229
  193    H    ASN  27           H        ASN  27  -8.898  -0.586  -0.429
  194    HA   ASN  27           HA       ASN  27 -11.401   0.289  -1.716
  195   1HB   ASN  27          1HB       ASN  27  -8.493   0.812  -2.282
  196   2HB   ASN  27          2HB       ASN  27  -9.405   0.295  -3.634
  197   1HD2  ASN  27          2HD2      ASN  27  -8.909   2.863  -1.345
  198   2HD2  ASN  27          1HD2      ASN  27  -9.993   4.025  -2.124
  199    H    VAL  28           H        VAL  28  -9.465  -2.386  -1.080
  200    HA   VAL  28           HA       VAL  28 -10.729  -3.895  -3.307
  201    HB   VAL  28           HB       VAL  28  -8.106  -4.204  -1.783
  202   1HG1  VAL  28          1HG1      VAL  28  -8.910  -6.472  -2.267
  203   2HG1  VAL  28          2HG1      VAL  28  -9.151  -6.027  -3.976
  204   3HG1  VAL  28          3HG1      VAL  28  -7.520  -6.067  -3.262
  205   1HG2  VAL  28          1HG2      VAL  28  -8.763  -3.567  -4.707
  206   2HG2  VAL  28          2HG2      VAL  28  -7.996  -2.478  -3.534
  207   3HG2  VAL  28          3HG2      VAL  28  -7.131  -3.905  -4.117
  208    H    VAL  29           H        VAL  29 -10.646  -3.438   0.132
  209    HA   VAL  29           HA       VAL  29 -11.735  -6.164   0.539
  210    HB   VAL  29           HB       VAL  29 -11.099  -3.978   2.521
  211   1HG1  VAL  29          1HG1      VAL  29 -12.812  -5.580   3.378
  212   2HG1  VAL  29          2HG1      VAL  29 -11.769  -6.939   2.918
  213   3HG1  VAL  29          3HG1      VAL  29 -11.260  -5.826   4.199
  214   1HG2  VAL  29          1HG2      VAL  29  -9.139  -5.389   3.088
  215   2HG2  VAL  29          2HG2      VAL  29  -9.580  -6.520   1.798
  216   3HG2  VAL  29          3HG2      VAL  29  -9.055  -4.866   1.407
  217    H    THR  30           H        THR  30 -12.842  -2.886   1.414
  218    HA   THR  30           HA       THR  30 -15.527  -3.677   1.781
  219    HB   THR  30           HB       THR  30 -15.796  -1.114   1.535
  220    HG1  THR  30           HG1      THR  30 -13.712  -0.070   1.873
  221   1HG2  THR  30          1HG2      THR  30 -13.893  -2.209   3.655
  222   2HG2  THR  30          2HG2      THR  30 -15.668  -2.288   3.729
  223   3HG2  THR  30          3HG2      THR  30 -14.848  -0.721   3.785
  224    H    ARG  31           H        ARG  31 -13.740  -2.685  -1.112
  225    HA   ARG  31           HA       ARG  31 -16.070  -2.139  -2.642
  226   1HB   ARG  31          1HB       ARG  31 -13.676  -1.529  -3.112
  227   2HB   ARG  31          2HB       ARG  31 -13.404  -3.175  -3.696
  228   1HG   ARG  31          1HG       ARG  31 -13.706  -1.655  -5.531
  229   2HG   ARG  31          2HG       ARG  31 -15.110  -2.730  -5.506
  230   1HD   ARG  31          1HD       ARG  31 -16.557  -1.040  -4.802
  231   2HD   ARG  31          2HD       ARG  31 -15.294  -0.129  -3.971
  232    HE   ARG  31           HE       ARG  31 -15.950  -0.127  -6.840
  233   1HH1  ARG  31          1HH1      ARG  31 -13.875   1.224  -4.259
  234   2HH1  ARG  31          2HH1      ARG  31 -13.357   2.573  -5.205
  235   1HH2  ARG  31          1HH2      ARG  31 -15.021   1.462  -8.134
  236   2HH2  ARG  31          2HH2      ARG  31 -13.956   2.687  -7.483
  237    H    HIS  32           H        HIS  32 -14.940  -5.145  -1.505
  238    HA   HIS  32           HA       HIS  32 -16.649  -6.679  -3.400
  239   1HB   HIS  32          1HB       HIS  32 -14.192  -7.375  -1.750
  240   2HB   HIS  32          2HB       HIS  32 -15.243  -8.593  -2.444
  241    HD1  HIS  32           HD1      HIS  32 -14.123  -9.557  -4.568
  242    HD2  HIS  32           HD2      HIS  32 -13.500  -5.420  -4.000
  243    HE1  HIS  32           HE1      HIS  32 -12.805  -8.747  -6.567
  244    H    ARG  33           H        ARG  33 -16.695  -5.373  -0.272
  245    HA   ARG  33           HA       ARG  33 -18.655  -7.442   0.641
  246   1HB   ARG  33          1HB       ARG  33 -16.553  -7.699   1.806
  247   2HB   ARG  33          2HB       ARG  33 -16.550  -5.993   2.286
  248   1HG   ARG  33          1HG       ARG  33 -18.376  -6.287   3.768
  249   2HG   ARG  33          2HG       ARG  33 -18.824  -7.845   3.057
  250   1HD   ARG  33          1HD       ARG  33 -16.912  -8.940   3.995
  251   2HD   ARG  33          2HD       ARG  33 -16.192  -7.412   4.523
  252    HE   ARG  33           HE       ARG  33 -18.501  -8.851   5.700
  253   1HH1  ARG  33          1HH1      ARG  33 -16.620  -5.857   5.709
  254   2HH1  ARG  33          2HH1      ARG  33 -17.376  -5.214   7.127
  255   1HH2  ARG  33          1HH2      ARG  33 -19.148  -8.250   7.760
  256   2HH2  ARG  33          2HH2      ARG  33 -18.662  -6.739   8.478
  257    H    TYR  34           H        TYR  34 -18.207  -4.138  -0.052
  258    HA   TYR  34           HA       TYR  34 -20.757  -3.383   1.243
  259   1HB   TYR  34          1HB       TYR  34 -18.582  -2.401   2.240
  260   2HB   TYR  34          2HB       TYR  34 -18.389  -1.542   0.719
  261    HD1  TYR  34           HD1      TYR  34 -20.123   0.182   0.008
  262    HD2  TYR  34           HD2      TYR  34 -20.223  -1.760   3.871
  263    HE1  TYR  34           HE1      TYR  34 -21.648   1.926   0.856
  264    HE2  TYR  34           HE2      TYR  34 -21.748  -0.032   4.699
  265    HH   TYR  34           HH       TYR  34 -23.014   1.825   4.182
  266   1HN   NH2  35          1H        NH2  35 -18.374  -2.893  -1.440
  267   2HN   NH2  35          2H        NH2  35 -19.613  -2.816  -2.676
  268   2HN   ZAB  10          H         AZO  10   7.124   7.562  10.235
  269   2HA   ZAB  10          2HA       AZO  10   7.873   7.167   7.446
  270   3HA   ZAB  10          3HA       AZO  10   7.811   8.692   8.363
  271    HG2  ZAB  10           HG2      AZO  10   9.709   9.369   9.806
  272    HD2  ZAB  10           HD2      AZO  10  12.181   9.236  10.150
  273    HE   ZAB  10           HE       AZO  10  13.477   7.375   9.131
  274    HG1  ZAB  10           HG1      AZO  10   9.852   5.804   7.415
  275    HJ2  ZAB  10           HJ2      AZO  10  15.891   5.892   6.871
  276    HK2  ZAB  10           HK2      AZO  10  16.927   7.639   5.457
  277    HL   ZAB  10           HL       AZO  10  15.502   9.091   4.028
  278    HJ1  ZAB  10           HJ1      AZO  10  12.006   6.944   5.341
  279   2HM   ZAB  10          2HM       AZO  10  11.773   8.852   3.913
  280   3HM   ZAB  10          3HM       AZO  10  13.109   9.976   3.739
  Start of MODEL   18
    1   1H    GLY   1          H         GLY   1   1.658  -2.093  12.028
    2   1HA   GLY   1          1HA       GLY   1   3.955  -2.439  11.184
    3   2HA   GLY   1          2HA       GLY   1   3.548  -0.714  11.355
    4    HA   PRO   2           HA       PRO   2   7.358  -1.340  13.836
    5   1HB   PRO   2          1HB       PRO   2   8.389   1.202  13.458
    6   2HB   PRO   2          2HB       PRO   2   8.690  -0.206  12.422
    7   1HG   PRO   2          1HG       PRO   2   6.949   2.137  11.859
    8   2HG   PRO   2          2HG       PRO   2   7.740   1.010  10.739
    9   1HD   PRO   2          1HD       PRO   2   5.011   1.030  11.618
   10   2HD   PRO   2          2HD       PRO   2   5.809  -0.197  10.592
   11    H    SER   3           H        SER   3   7.930  -0.481  15.858
   12    HA   SER   3           HA       SER   3   5.875   0.363  17.611
   13   1HB   SER   3          1HB       SER   3   8.051  -1.069  17.874
   14   2HB   SER   3          2HB       SER   3   8.872   0.474  18.118
   15    HG   SER   3           HG       SER   3   8.284  -0.547  20.021
   16    H    GLN   4           H        GLN   4   7.708   2.193  15.490
   17    HA   GLN   4           HA       GLN   4   7.239   4.802  16.774
   18   1HB   GLN   4          1HB       GLN   4   9.431   5.447  15.547
   19   2HB   GLN   4          2HB       GLN   4   9.603   4.585  17.073
   20   1HG   GLN   4          1HG       GLN   4  10.406   2.653  16.080
   21   2HG   GLN   4          2HG       GLN   4   9.513   2.889  14.593
   22   1HE2  GLN   4          2HE2      GLN   4  11.070   2.653  13.084
   23   2HE2  GLN   4          1HE2      GLN   4  12.399   3.783  12.901
   24    HA   PRO   5           HA       PRO   5   5.523   5.218  12.673
   25   1HB   PRO   5          1HB       PRO   5   5.484   7.927  12.288
   26   2HB   PRO   5          2HB       PRO   5   4.450   7.128  13.511
   27   1HG   PRO   5          1HG       PRO   5   7.130   8.489  13.914
   28   2HG   PRO   5          2HG       PRO   5   5.622   8.711  14.866
   29   1HD   PRO   5          1HD       PRO   5   7.635   7.041  15.669
   30   2HD   PRO   5          2HD       PRO   5   5.916   6.639  15.958
   31    H    THR   6           H        THR   6   6.100   5.946  10.403
   32    HA   THR   6           HA       THR   6   9.017   6.488  10.076
   33    HB   THR   6           HB       THR   6   7.486   4.664   8.216
   34    HG1  THR   6           HG1      THR   6   7.306   3.510   9.971
   35   1HG2  THR   6          1HG2      THR   6   9.774   5.499   7.533
   36   2HG2  THR   6          2HG2      THR   6   9.690   3.743   7.718
   37   3HG2  THR   6          3HG2      THR   6  10.436   4.724   8.989
   38    H    TYR   7           H        TYR   7   9.576   7.718   8.265
   39    HA   TYR   7           HA       TYR   7   9.395   9.480   6.906
   40   1HB   TYR   7          1HB       TYR   7   6.860   8.415   5.751
   41   2HB   TYR   7          2HB       TYR   7   8.187   9.238   4.961
   42    HD1  TYR   7           HD1      TYR   7   6.726   6.072   5.940
   43    HD2  TYR   7           HD2      TYR   7  10.428   7.930   4.713
   44    HE1  TYR   7           HE1      TYR   7   7.583   3.881   5.292
   45    HE2  TYR   7           HE2      TYR   7  11.324   5.724   4.079
   46    HH   TYR   7           HH       TYR   7  10.952   3.491   4.038
   47    HA   PRO   8           HA       PRO   8   6.299  11.690   9.551
   48   1HB   PRO   8          1HB       PRO   8   7.962  13.608  10.592
   49   2HB   PRO   8          2HB       PRO   8   7.862  11.945  11.218
   50   1HG   PRO   8          1HG       PRO   8   9.879  13.049   9.239
   51   2HG   PRO   8          2HG       PRO   8  10.203  12.120  10.732
   52   1HD   PRO   8          1HD       PRO   8  10.097  10.915   8.311
   53   2HD   PRO   8          2HD       PRO   8   9.448  10.110   9.770
   54    H    GLY   9           H        GLY   9   7.165  12.016   6.533
   55   1HA   GLY   9          1HA       GLY   9   5.660  14.134   5.753
   56   2HA   GLY   9          2HA       GLY   9   7.309  14.773   5.862
   57    HA   PRO  11           HA       PRO  11  12.246   9.165  -4.479
   58   1HB   PRO  11          1HB       PRO  11  11.575   6.803  -3.212
   59   2HB   PRO  11          2HB       PRO  11  13.229   7.300  -3.648
   60   1HG   PRO  11          1HG       PRO  11  11.848   7.553  -0.965
   61   2HG   PRO  11          2HG       PRO  11  13.511   6.989  -1.293
   62   1HD   PRO  11          1HD       PRO  11  12.873   9.519  -0.473
   63   2HD   PRO  11          2HD       PRO  11  14.250   9.206  -1.570
   64    H    VAL  12           H        VAL  12  10.322   9.465  -5.400
   65    HA   VAL  12           HA       VAL  12   7.976  10.114  -3.868
   66    HB   VAL  12           HB       VAL  12   8.211   9.503  -6.846
   67   1HG1  VAL  12          1HG1      VAL  12   5.889   9.582  -6.097
   68   2HG1  VAL  12          2HG1      VAL  12   6.183  11.098  -5.216
   69   3HG1  VAL  12          3HG1      VAL  12   6.231  11.063  -6.985
   70   1HG2  VAL  12          1HG2      VAL  12   8.585  12.155  -5.404
   71   2HG2  VAL  12          2HG2      VAL  12   9.836  11.272  -6.306
   72   3HG2  VAL  12          3HG2      VAL  12   8.463  11.951  -7.166
   73    H    GLU  13           H        GLU  13   8.981   7.257  -5.879
   74    HA   GLU  13           HA       GLU  13   6.523   5.880  -5.473
   75   1HB   GLU  13          1HB       GLU  13   9.273   5.131  -6.444
   76   2HB   GLU  13          2HB       GLU  13   8.190   3.836  -5.991
   77   1HG   GLU  13          1HG       GLU  13   7.502   6.052  -7.971
   78   2HG   GLU  13          2HG       GLU  13   8.037   4.426  -8.399
   79    H    ASP  14           H        ASP  14   9.271   6.187  -3.313
   80    HA   ASP  14           HA       ASP  14   8.557   3.833  -1.733
   81   1HB   ASP  14          1HB       ASP  14  10.845   4.812  -1.750
   82   2HB   ASP  14          2HB       ASP  14  10.172   6.282  -1.020
   83    H    LEU  15           H        LEU  15   7.558   7.189  -1.888
   84    HA   LEU  15           HA       LEU  15   6.217   7.232   0.693
   85   1HB   LEU  15          1HB       LEU  15   7.376   9.194  -0.241
   86   2HB   LEU  15          2HB       LEU  15   6.327   9.165  -1.659
   87    HG   LEU  15           HG       LEU  15   4.373   9.644  -0.280
   88   1HD1  LEU  15          1HD1      LEU  15   4.709  10.407   2.106
   89   2HD1  LEU  15          2HD1      LEU  15   6.356   9.760   2.046
   90   3HD1  LEU  15          3HD1      LEU  15   4.959   8.683   1.874
   91   1HD2  LEU  15          1HD2      LEU  15   6.745  11.521   0.117
   92   2HD2  LEU  15          2HD2      LEU  15   5.050  11.992   0.348
   93   3HD2  LEU  15          3HD2      LEU  15   5.626  11.496  -1.247
   94    H    ILE  16           H        ILE  16   5.302   7.425  -2.751
   95    HA   ILE  16           HA       ILE  16   2.546   7.102  -2.431
   96    HB   ILE  16           HB       ILE  16   4.386   6.432  -4.760
   97   1HG1  ILE  16          1HG1      ILE  16   4.468   8.794  -4.293
   98   2HG1  ILE  16          2HG1      ILE  16   3.540   8.536  -5.745
   99   1HG2  ILE  16          1HG2      ILE  16   2.372   5.161  -5.163
  100   2HG2  ILE  16          2HG2      ILE  16   1.353   6.560  -4.787
  101   3HG2  ILE  16          3HG2      ILE  16   2.395   6.556  -6.232
  102   1HD1  ILE  16          1HD1      ILE  16   2.429  10.227  -4.545
  103   2HD1  ILE  16          2HD1      ILE  16   1.439   8.795  -4.216
  104   3HD1  ILE  16          3HD1      ILE  16   2.592   9.382  -3.002
  105    H    ARG  17           H        ARG  17   4.947   4.402  -3.151
  106    HA   ARG  17           HA       ARG  17   2.874   2.466  -3.249
  107   1HB   ARG  17          1HB       ARG  17   5.167   2.031  -4.073
  108   2HB   ARG  17          2HB       ARG  17   5.771   2.018  -2.402
  109   1HG   ARG  17          1HG       ARG  17   4.438   0.060  -1.856
  110   2HG   ARG  17          2HG       ARG  17   3.613   0.120  -3.408
  111   1HD   ARG  17          1HD       ARG  17   6.580  -0.429  -3.011
  112   2HD   ARG  17          2HD       ARG  17   5.360  -1.665  -3.263
  113    HE   ARG  17           HE       ARG  17   6.605   0.005  -5.247
  114   1HH1  ARG  17          1HH1      ARG  17   3.630  -1.895  -4.703
  115   2HH1  ARG  17          2HH1      ARG  17   3.028  -1.639  -6.297
  116   1HH2  ARG  17          1HH2      ARG  17   5.871   0.281  -7.292
  117   2HH2  ARG  17          2HH2      ARG  17   4.319  -0.340  -7.812
  118    H    PHE  18           H        PHE  18   4.814   3.495  -0.405
  119    HA   PHE  18           HA       PHE  18   3.641   1.620   1.354
  120   1HB   PHE  18          1HB       PHE  18   5.714   3.049   1.683
  121   2HB   PHE  18          2HB       PHE  18   4.668   4.400   2.033
  122    HD1  PHE  18           HD1      PHE  18   4.256   4.812   4.354
  123    HD2  PHE  18           HD2      PHE  18   5.133   0.800   3.032
  124    HE1  PHE  18           HE1      PHE  18   4.289   4.034   6.709
  125    HE2  PHE  18           HE2      PHE  18   5.171   0.037   5.390
  126    HZ   PHE  18           HZ       PHE  18   4.754   1.645   7.223
  127    H    TYR  19           H        TYR  19   2.422   4.731   0.151
  128    HA   TYR  19           HA       TYR  19   0.315   4.836   2.184
  129   1HB   TYR  19          1HB       TYR  19   1.437   6.828   0.909
  130   2HB   TYR  19          2HB       TYR  19   0.415   6.409  -0.423
  131    HD1  TYR  19           HD1      TYR  19  -1.411   7.832  -0.588
  132    HD2  TYR  19           HD2      TYR  19  -0.085   6.666   3.349
  133    HE1  TYR  19           HE1      TYR  19  -3.402   8.886   0.386
  134    HE2  TYR  19           HE2      TYR  19  -2.010   7.790   4.346
  135    HH   TYR  19           HH       TYR  19  -3.956   8.922   3.964
  136    H    ASN  20           H        ASN  20   0.587   4.168  -1.248
  137    HA   ASN  20           HA       ASN  20  -2.158   3.639  -1.832
  138   1HB   ASN  20          1HB       ASN  20  -0.514   3.989  -3.612
  139   2HB   ASN  20          2HB       ASN  20   0.347   2.509  -3.143
  140   1HD2  ASN  20          2HD2      ASN  20  -0.393   0.530  -3.987
  141   2HD2  ASN  20          1HD2      ASN  20  -1.964   0.363  -4.785
  142    H    ASP  21           H        ASP  21   0.417   1.590  -0.469
  143    HA   ASP  21           HA       ASP  21  -0.911  -0.906  -0.667
  144   1HB   ASP  21          1HB       ASP  21   1.491  -0.633  -0.101
  145   2HB   ASP  21          2HB       ASP  21   1.045   0.048   1.473
  146    H    LEU  22           H        LEU  22  -1.024   1.625   1.862
  147    HA   LEU  22           HA       LEU  22  -2.762   0.173   3.651
  148   1HB   LEU  22          1HB       LEU  22  -2.266   3.165   3.284
  149   2HB   LEU  22          2HB       LEU  22  -3.261   2.502   4.559
  150    HG   LEU  22           HG       LEU  22  -0.327   1.807   4.209
  151   1HD1  LEU  22          1HD1      LEU  22   0.086   3.371   6.070
  152   2HD1  LEU  22          2HD1      LEU  22  -1.629   3.847   6.066
  153   3HD1  LEU  22          3HD1      LEU  22  -0.587   4.205   4.667
  154   1HD2  LEU  22          1HD2      LEU  22  -0.519   1.048   6.577
  155   2HD2  LEU  22          2HD2      LEU  22  -1.567   0.117   5.511
  156   3HD2  LEU  22          3HD2      LEU  22  -2.266   1.387   6.540
  157    H    GLN  23           H        GLN  23  -3.288   2.464   0.970
  158    HA   GLN  23           HA       GLN  23  -6.159   2.588   1.275
  159   1HB   GLN  23          1HB       GLN  23  -4.371   3.173  -1.125
  160   2HB   GLN  23          2HB       GLN  23  -6.107   3.485  -1.064
  161   1HG   GLN  23          1HG       GLN  23  -5.794   5.011   0.846
  162   2HG   GLN  23          2HG       GLN  23  -4.056   4.739   0.815
  163   1HE2  GLN  23          2HE2      GLN  23  -2.835   5.907  -0.635
  164   2HE2  GLN  23          1HE2      GLN  23  -3.464   7.048  -1.803
  165    H    GLN  24           H        GLN  24  -4.007   0.261  -0.321
  166    HA   GLN  24           HA       GLN  24  -5.891  -0.900  -2.071
  167   1HB   GLN  24          1HB       GLN  24  -3.407  -1.236  -2.064
  168   2HB   GLN  24          2HB       GLN  24  -3.606  -2.345  -0.706
  169   1HG   GLN  24          1HG       GLN  24  -4.895  -3.887  -2.024
  170   2HG   GLN  24          2HG       GLN  24  -5.109  -2.720  -3.329
  171   1HE2  GLN  24          2HE2      GLN  24  -3.013  -1.939  -4.437
  172   2HE2  GLN  24          1HE2      GLN  24  -1.762  -3.147  -4.657
  173    H    TYR  25           H        TYR  25  -5.161  -1.510   1.316
  174    HA   TYR  25           HA       TYR  25  -6.884  -3.717   1.715
  175   1HB   TYR  25          1HB       TYR  25  -5.124  -2.689   3.283
  176   2HB   TYR  25          2HB       TYR  25  -6.341  -1.529   3.761
  177    HD1  TYR  25           HD1      TYR  25  -7.724  -2.088   5.640
  178    HD2  TYR  25           HD2      TYR  25  -5.749  -5.224   3.433
  179    HE1  TYR  25           HE1      TYR  25  -8.397  -3.722   7.366
  180    HE2  TYR  25           HE2      TYR  25  -6.419  -6.868   5.142
  181    HH   TYR  25           HH       TYR  25  -8.349  -5.953   8.030
  182    H    LEU  26           H        LEU  26  -7.628  -0.213   1.526
  183    HA   LEU  26           HA       LEU  26 -10.403  -0.747   2.250
  184   1HB   LEU  26          1HB       LEU  26  -9.063   1.814   1.343
  185   2HB   LEU  26          2HB       LEU  26 -10.698   1.713   1.958
  186    HG   LEU  26           HG       LEU  26  -8.241   0.950   3.580
  187   1HD1  LEU  26          1HD1      LEU  26  -8.506   3.099   4.715
  188   2HD1  LEU  26          2HD1      LEU  26  -9.856   3.528   3.643
  189   3HD1  LEU  26          3HD1      LEU  26  -8.215   3.349   2.995
  190   1HD2  LEU  26          1HD2      LEU  26 -10.293  -0.138   4.392
  191   2HD2  LEU  26          2HD2      LEU  26 -11.125   1.433   4.418
  192   3HD2  LEU  26          3HD2      LEU  26  -9.769   1.113   5.518
  193    H    ASN  27           H        ASN  27  -8.646  -0.564  -0.583
  194    HA   ASN  27           HA       ASN  27 -10.981  -0.217  -2.261
  195   1HB   ASN  27          1HB       ASN  27  -7.967  -0.099  -2.536
  196   2HB   ASN  27          2HB       ASN  27  -8.901  -0.397  -3.937
  197   1HD2  ASN  27          2HD2      ASN  27  -7.840   1.980  -1.775
  198   2HD2  ASN  27          1HD2      ASN  27  -8.632   3.378  -2.473
  199    H    VAL  28           H        VAL  28  -9.486  -2.873  -0.991
  200    HA   VAL  28           HA       VAL  28 -10.669  -4.550  -3.164
  201    HB   VAL  28           HB       VAL  28  -8.194  -5.013  -1.409
  202   1HG1  VAL  28          1HG1      VAL  28  -9.512  -6.871  -3.432
  203   2HG1  VAL  28          2HG1      VAL  28  -7.875  -7.077  -2.789
  204   3HG1  VAL  28          3HG1      VAL  28  -9.249  -7.164  -1.699
  205   1HG2  VAL  28          1HG2      VAL  28  -8.440  -4.659  -4.439
  206   2HG2  VAL  28          2HG2      VAL  28  -7.753  -3.472  -3.306
  207   3HG2  VAL  28          3HG2      VAL  28  -6.944  -5.013  -3.545
  208    H    VAL  29           H        VAL  29 -10.699  -3.679   0.155
  209    HA   VAL  29           HA       VAL  29 -12.286  -6.115   0.768
  210    HB   VAL  29           HB       VAL  29 -11.187  -4.050   2.659
  211   1HG1  VAL  29          1HG1      VAL  29 -12.429  -6.767   3.072
  212   2HG1  VAL  29          2HG1      VAL  29 -11.591  -5.834   4.336
  213   3HG1  VAL  29          3HG1      VAL  29 -13.064  -5.176   3.586
  214   1HG2  VAL  29          1HG2      VAL  29  -9.323  -5.332   1.521
  215   2HG2  VAL  29          2HG2      VAL  29  -9.470  -5.754   3.222
  216   3HG2  VAL  29          3HG2      VAL  29 -10.128  -6.839   1.983
  217    H    THR  30           H        THR  30 -12.557  -2.612   1.356
  218    HA   THR  30           HA       THR  30 -15.398  -2.907   1.711
  219    HB   THR  30           HB       THR  30 -14.948  -0.183   1.426
  220    HG1  THR  30           HG1      THR  30 -12.735  -0.336   1.454
  221   1HG2  THR  30          1HG2      THR  30 -16.244  -1.388   3.204
  222   2HG2  THR  30          2HG2      THR  30 -15.169  -0.144   3.845
  223   3HG2  THR  30          3HG2      THR  30 -14.709  -1.857   3.955
  224    H    ARG  31           H        ARG  31 -13.411  -2.008  -1.095
  225    HA   ARG  31           HA       ARG  31 -15.555  -0.950  -2.606
  226   1HB   ARG  31          1HB       ARG  31 -13.030  -0.973  -3.123
  227   2HB   ARG  31          2HB       ARG  31 -13.287  -2.606  -3.753
  228   1HG   ARG  31          1HG       ARG  31 -14.931  -1.561  -5.434
  229   2HG   ARG  31          2HG       ARG  31 -14.381   0.023  -4.834
  230   1HD   ARG  31          1HD       ARG  31 -11.980  -0.849  -5.306
  231   2HD   ARG  31          2HD       ARG  31 -12.750  -2.173  -6.180
  232    HE   ARG  31           HE       ARG  31 -13.324  -0.766  -7.900
  233   1HH1  ARG  31          1HH1      ARG  31 -11.563   1.067  -5.353
  234   2HH1  ARG  31          2HH1      ARG  31 -11.215   2.383  -6.379
  235   1HH2  ARG  31          1HH2      ARG  31 -12.732   1.060  -9.291
  236   2HH2  ARG  31          2HH2      ARG  31 -11.653   2.238  -8.649
  237    H    HIS  32           H        HIS  32 -14.806  -4.187  -1.828
  238    HA   HIS  32           HA       HIS  32 -16.613  -5.416  -3.800
  239   1HB   HIS  32          1HB       HIS  32 -14.585  -6.365  -1.780
  240   2HB   HIS  32          2HB       HIS  32 -15.876  -7.461  -2.195
  241    HD1  HIS  32           HD1      HIS  32 -15.033  -9.134  -3.880
  242    HD2  HIS  32           HD2      HIS  32 -13.603  -5.223  -4.517
  243    HE1  HIS  32           HE1      HIS  32 -13.565  -9.230  -5.979
  244    H    ARG  33           H        ARG  33 -17.268  -3.778  -0.901
  245    HA   ARG  33           HA       ARG  33 -19.736  -5.383  -0.556
  246   1HB   ARG  33          1HB       ARG  33 -17.815  -4.761   1.731
  247   2HB   ARG  33          2HB       ARG  33 -19.488  -5.275   1.912
  248   1HG   ARG  33          1HG       ARG  33 -18.868  -7.348   0.502
  249   2HG   ARG  33          2HG       ARG  33 -17.187  -6.869   0.761
  250   1HD   ARG  33          1HD       ARG  33 -17.717  -8.467   2.455
  251   2HD   ARG  33          2HD       ARG  33 -17.691  -6.895   3.270
  252    HE   ARG  33           HE       ARG  33 -20.294  -7.844   2.234
  253   1HH1  ARG  33          1HH1      ARG  33 -18.275  -7.738   5.198
  254   2HH1  ARG  33          2HH1      ARG  33 -19.657  -7.807   6.215
  255   1HH2  ARG  33          1HH2      ARG  33 -21.977  -8.038   3.560
  256   2HH2  ARG  33          2HH2      ARG  33 -21.862  -7.920   5.298
  257    H    TYR  34           H        TYR  34 -18.284  -2.684   1.319
  258    HA   TYR  34           HA       TYR  34 -20.657  -1.246   1.660
  259   1HB   TYR  34          1HB       TYR  34 -18.707  -0.851   3.031
  260   2HB   TYR  34          2HB       TYR  34 -17.732  -0.449   1.625
  261    HD1  TYR  34           HD1      TYR  34 -17.990   1.668   0.431
  262    HD2  TYR  34           HD2      TYR  34 -20.128   0.876   4.094
  263    HE1  TYR  34           HE1      TYR  34 -18.398   4.066   0.686
  264    HE2  TYR  34           HE2      TYR  34 -20.516   3.305   4.394
  265    HH   TYR  34           HH       TYR  34 -20.268   5.457   3.442
  266   1HN   NH2  35          1H        NH2  35 -21.587   0.573   0.532
  267   2HN   NH2  35          2H        NH2  35 -21.177   0.839  -1.159
  268   2HN   ZAB  10          H         AZO  10   8.272  14.712   3.942
  269   2HA   ZAB  10          2HA       AZO  10   9.229  12.670   2.509
  270   3HA   ZAB  10          3HA       AZO  10   7.553  12.666   1.930
  271    HG2  ZAB  10           HG2      AZO  10   6.964  14.025   0.114
  272    HD2  ZAB  10           HD2      AZO  10   7.664  15.629  -1.628
  273    HE   ZAB  10           HE       AZO  10   9.806  16.854  -1.407
  274    HG1  ZAB  10           HG1      AZO  10  10.528  14.922   2.382
  275    HJ2  ZAB  10           HJ2      AZO  10  14.195  17.270  -1.766
  276    HK2  ZAB  10           HK2      AZO  10  15.284  15.696  -3.355
  277    HL   ZAB  10           HL       AZO  10  14.748  13.289  -3.272
  278    HJ1  ZAB  10           HJ1      AZO  10  11.958  14.017  -0.064
  279   2HM   ZAB  10          2HM       AZO  10  14.064  11.600  -1.251
  280   3HM   ZAB  10          3HM       AZO  10  12.440  11.868  -0.624
  Start of MODEL   19
    1   1H    GLY   1          H         GLY   1  24.405   3.996  -2.753
    2   1HA   GLY   1          1HA       GLY   1  25.979   1.544  -3.296
    3   2HA   GLY   1          2HA       GLY   1  26.465   2.780  -2.131
    4    HA   PRO   2           HA       PRO   2  23.775  -0.528  -0.146
    5   1HB   PRO   2          1HB       PRO   2  25.573  -1.499   1.682
    6   2HB   PRO   2          2HB       PRO   2  25.431  -2.119   0.010
    7   1HG   PRO   2          1HG       PRO   2  27.400  -0.090   1.111
    8   2HG   PRO   2          2HG       PRO   2  27.740  -1.506   0.067
    9   1HD   PRO   2          1HD       PRO   2  27.467   1.006  -0.945
   10   2HD   PRO   2          2HD       PRO   2  26.867  -0.420  -1.840
   11    H    SER   3           H        SER   3  25.792   2.154   1.066
   12    HA   SER   3           HA       SER   3  24.661   2.123   3.696
   13   1HB   SER   3          1HB       SER   3  26.880   3.162   3.013
   14   2HB   SER   3          2HB       SER   3  25.952   4.482   2.282
   15    HG   SER   3           HG       SER   3  26.199   5.208   4.284
   16    H    GLN   4           H        GLN   4  22.610   2.576   4.150
   17    HA   GLN   4           HA       GLN   4  21.235   4.805   2.777
   18   1HB   GLN   4          1HB       GLN   4  20.280   1.917   2.907
   19   2HB   GLN   4          2HB       GLN   4  19.124   3.238   2.870
   20   1HG   GLN   4          1HG       GLN   4  21.241   2.723   0.757
   21   2HG   GLN   4          2HG       GLN   4  19.517   2.397   0.615
   22   1HE2  GLN   4          2HE2      GLN   4  18.292   4.723   1.633
   23   2HE2  GLN   4          1HE2      GLN   4  18.851   6.140   0.800
   24    HA   PRO   5           HA       PRO   5  20.838   4.707   7.420
   25   1HB   PRO   5          1HB       PRO   5  22.044   7.070   8.034
   26   2HB   PRO   5          2HB       PRO   5  22.984   5.568   7.747
   27   1HG   PRO   5          1HG       PRO   5  22.406   7.806   5.813
   28   2HG   PRO   5          2HG       PRO   5  23.995   7.066   6.180
   29   1HD   PRO   5          1HD       PRO   5  22.488   6.308   4.027
   30   2HD   PRO   5          2HD       PRO   5  23.476   5.141   4.953
   31    H    THR   6           H        THR   6  19.370   6.226   8.648
   32    HA   THR   6           HA       THR   6  18.056   8.367   7.146
   33    HB   THR   6           HB       THR   6  16.681   5.824   7.964
   34    HG1  THR   6           HG1      THR   6  17.715   6.297   5.789
   35   1HG2  THR   6          1HG2      THR   6  15.134   7.546   8.658
   36   2HG2  THR   6          2HG2      THR   6  14.547   6.714   7.233
   37   3HG2  THR   6          3HG2      THR   6  15.258   8.334   7.070
   38    H    TYR   7           H        TYR   7  16.809   9.633   8.506
   39    HA   TYR   7           HA       TYR   7  17.958  10.066  11.118
   40   1HB   TYR   7          1HB       TYR   7  15.771  11.335   9.499
   41   2HB   TYR   7          2HB       TYR   7  15.688  11.581  11.222
   42    HD1  TYR   7           HD1      TYR   7  18.294  11.748   8.493
   43    HD2  TYR   7           HD2      TYR   7  16.732  13.491  12.117
   44    HE1  TYR   7           HE1      TYR   7  20.025  13.491   8.397
   45    HE2  TYR   7           HE2      TYR   7  18.469  15.232  12.030
   46    HH   TYR   7           HH       TYR   7  20.437  15.932  11.005
   47    HA   PRO   8           HA       PRO   8  15.250   7.516  13.517
   48   1HB   PRO   8          1HB       PRO   8  15.378   8.582  16.009
   49   2HB   PRO   8          2HB       PRO   8  16.838   7.990  15.183
   50   1HG   PRO   8          1HG       PRO   8  15.831  10.852  15.284
   51   2HG   PRO   8          2HG       PRO   8  17.466  10.245  15.703
   52   1HD   PRO   8          1HD       PRO   8  16.885  11.245  13.232
   53   2HD   PRO   8          2HD       PRO   8  18.026   9.884  13.454
   54    H    GLY   9           H        GLY   9  13.977  10.080  12.126
   55   1HA   GLY   9          1HA       GLY   9  11.458   9.854  12.093
   56   2HA   GLY   9          2HA       GLY   9  11.558  10.417  13.778
   57    HA   PRO  11           HA       PRO  11  12.079  11.270   0.799
   58   1HB   PRO  11          1HB       PRO  11  11.628   8.599   0.473
   59   2HB   PRO  11          2HB       PRO  11  13.221   9.228   1.004
   60   1HG   PRO  11          1HG       PRO  11  10.997   8.116   2.733
   61   2HG   PRO  11          2HG       PRO  11  12.746   7.716   2.765
   62   1HD   PRO  11          1HD       PRO  11  11.558   9.551   4.453
   63   2HD   PRO  11          2HD       PRO  11  13.255   9.716   3.918
   64    H    VAL  12           H        VAL  12  10.342  10.663  -0.769
   65    HA   VAL  12           HA       VAL  12   7.639  10.511   0.490
   66    HB   VAL  12           HB       VAL  12   8.373  12.205  -1.909
   67   1HG1  VAL  12          1HG1      VAL  12   6.140  13.195  -1.529
   68   2HG1  VAL  12          2HG1      VAL  12   6.033  11.476  -1.911
   69   3HG1  VAL  12          3HG1      VAL  12   5.853  12.008  -0.232
   70   1HG2  VAL  12          1HG2      VAL  12   7.956  14.159  -0.356
   71   2HG2  VAL  12          2HG2      VAL  12   7.902  13.025   1.003
   72   3HG2  VAL  12          3HG2      VAL  12   9.401  13.248   0.083
   73    H    GLU  13           H        GLU  13   9.794   9.437  -2.141
   74    HA   GLU  13           HA       GLU  13   7.766   8.185  -3.683
   75   1HB   GLU  13          1HB       GLU  13   9.507   7.148  -4.861
   76   2HB   GLU  13          2HB       GLU  13  10.141   8.685  -4.333
   77   1HG   GLU  13          1HG       GLU  13  11.943   7.346  -3.867
   78   2HG   GLU  13          2HG       GLU  13  11.159   7.343  -2.298
   79    H    ASP  14           H        ASP  14   9.553   7.148  -0.866
   80    HA   ASP  14           HA       ASP  14   8.729   4.465  -0.611
   81   1HB   ASP  14          1HB       ASP  14  10.602   5.559   0.623
   82   2HB   ASP  14          2HB       ASP  14   9.461   6.566   1.477
   83    H    LEU  15           H        LEU  15   7.403   7.498   0.607
   84    HA   LEU  15           HA       LEU  15   5.295   6.585   2.181
   85   1HB   LEU  15          1HB       LEU  15   6.452   8.978   1.622
   86   2HB   LEU  15          2HB       LEU  15   5.086   9.107   0.523
   87    HG   LEU  15           HG       LEU  15   4.561  10.208   2.467
   88   1HD1  LEU  15          1HD1      LEU  15   3.081   7.571   2.743
   89   2HD1  LEU  15          2HD1      LEU  15   2.696   8.825   1.548
   90   3HD1  LEU  15          3HD1      LEU  15   2.533   9.149   3.300
   91   1HD2  LEU  15          1HD2      LEU  15   6.102   9.486   4.082
   92   2HD2  LEU  15          2HD2      LEU  15   5.557   7.806   4.004
   93   3HD2  LEU  15          3HD2      LEU  15   4.520   9.024   4.741
   94    H    ILE  16           H        ILE  16   5.362   7.512  -1.324
   95    HA   ILE  16           HA       ILE  16   2.633   6.915  -1.773
   96    HB   ILE  16           HB       ILE  16   4.897   6.736  -3.788
   97   1HG1  ILE  16          1HG1      ILE  16   4.933   8.956  -2.870
   98   2HG1  ILE  16          2HG1      ILE  16   4.248   9.029  -4.467
   99   1HG2  ILE  16          1HG2      ILE  16   2.935   5.704  -4.769
  100   2HG2  ILE  16          2HG2      ILE  16   1.887   7.012  -4.216
  101   3HG2  ILE  16          3HG2      ILE  16   3.110   7.289  -5.480
  102   1HD1  ILE  16          1HD1      ILE  16   2.691   9.175  -1.845
  103   2HD1  ILE  16          2HD1      ILE  16   3.058  10.513  -2.937
  104   3HD1  ILE  16          3HD1      ILE  16   1.960   9.232  -3.471
  105    H    ARG  17           H        ARG  17   5.284   4.600  -1.314
  106    HA   ARG  17           HA       ARG  17   3.700   2.442  -2.581
  107   1HB   ARG  17          1HB       ARG  17   6.139   2.279  -0.707
  108   2HB   ARG  17          2HB       ARG  17   5.464   0.930  -1.603
  109   1HG   ARG  17          1HG       ARG  17   6.640   3.398  -2.956
  110   2HG   ARG  17          2HG       ARG  17   7.584   1.981  -2.516
  111   1HD   ARG  17          1HD       ARG  17   6.201   0.536  -3.937
  112   2HD   ARG  17          2HD       ARG  17   5.139   1.904  -4.310
  113    HE   ARG  17           HE       ARG  17   8.026   2.169  -4.953
  114   1HH1  ARG  17          1HH1      ARG  17   4.828   1.360  -6.303
  115   2HH1  ARG  17          2HH1      ARG  17   5.150   2.078  -7.840
  116   1HH2  ARG  17          1HH2      ARG  17   8.531   2.848  -6.944
  117   2HH2  ARG  17          2HH2      ARG  17   7.397   2.880  -8.272
  118    H    PHE  18           H        PHE  18   4.640   3.254   0.760
  119    HA   PHE  18           HA       PHE  18   2.989   1.293   1.957
  120   1HB   PHE  18          1HB       PHE  18   4.875   2.801   2.880
  121   2HB   PHE  18          2HB       PHE  18   3.654   4.042   3.061
  122    HD1  PHE  18           HD1      PHE  18   2.129   3.967   4.967
  123    HD2  PHE  18           HD2      PHE  18   4.734   0.635   4.117
  124    HE1  PHE  18           HE1      PHE  18   1.733   3.069   7.238
  125    HE2  PHE  18           HE2      PHE  18   4.282  -0.285   6.367
  126    HZ   PHE  18           HZ       PHE  18   2.804   0.933   7.949
  127    H    TYR  19           H        TYR  19   2.293   4.516   0.707
  128    HA   TYR  19           HA       TYR  19  -0.315   4.786   1.946
  129   1HB   TYR  19          1HB       TYR  19   1.134   6.655   0.955
  130   2HB   TYR  19          2HB       TYR  19   0.561   6.181  -0.630
  131    HD1  TYR  19           HD1      TYR  19  -2.235   5.904  -0.684
  132    HD2  TYR  19           HD2      TYR  19   0.062   8.366   2.027
  133    HE1  TYR  19           HE1      TYR  19  -4.281   7.111  -0.042
  134    HE2  TYR  19           HE2      TYR  19  -1.951   9.686   2.524
  135    HH   TYR  19           HH       TYR  19  -4.222   9.828   2.283
  136    H    ASN  20           H        ASN  20   0.839   3.968  -1.301
  137    HA   ASN  20           HA       ASN  20  -1.630   3.450  -2.551
  138   1HB   ASN  20          1HB       ASN  20   0.477   3.684  -3.731
  139   2HB   ASN  20          2HB       ASN  20   1.075   2.154  -3.051
  140   1HD2  ASN  20          2HD2      ASN  20   0.207   0.135  -3.981
  141   2HD2  ASN  20          1HD2      ASN  20  -0.487   0.303  -5.580
  142    H    ASP  21           H        ASP  21   0.441   1.321  -0.550
  143    HA   ASP  21           HA       ASP  21  -1.156  -1.036  -0.941
  144   1HB   ASP  21          1HB       ASP  21   1.231  -1.020  -0.199
  145   2HB   ASP  21          2HB       ASP  21   0.729  -0.331   1.351
  146    H    LEU  22           H        LEU  22  -0.994   1.332   1.776
  147    HA   LEU  22           HA       LEU  22  -3.015   0.266   3.380
  148   1HB   LEU  22          1HB       LEU  22  -2.103   3.118   2.856
  149   2HB   LEU  22          2HB       LEU  22  -3.419   2.795   3.966
  150    HG   LEU  22           HG       LEU  22  -0.701   1.493   4.336
  151   1HD1  LEU  22          1HD1      LEU  22  -1.746   4.119   5.495
  152   2HD1  LEU  22          2HD1      LEU  22  -0.398   3.941   4.344
  153   3HD1  LEU  22          3HD1      LEU  22  -0.256   3.302   5.983
  154   1HD2  LEU  22          1HD2      LEU  22  -2.598   0.495   5.591
  155   2HD2  LEU  22          2HD2      LEU  22  -2.985   2.087   6.275
  156   3HD2  LEU  22          3HD2      LEU  22  -1.439   1.306   6.660
  157    H    GLN  23           H        GLN  23  -3.393   2.682   0.724
  158    HA   GLN  23           HA       GLN  23  -6.273   2.677   1.061
  159   1HB   GLN  23          1HB       GLN  23  -6.455   4.098  -0.796
  160   2HB   GLN  23          2HB       GLN  23  -5.055   4.600   0.136
  161   1HG   GLN  23          1HG       GLN  23  -4.388   4.802  -2.091
  162   2HG   GLN  23          2HG       GLN  23  -3.620   3.334  -1.531
  163   1HE2  GLN  23          2HE2      GLN  23  -3.588   1.849  -3.157
  164   2HE2  GLN  23          1HE2      GLN  23  -4.723   1.700  -4.467
  165    H    GLN  24           H        GLN  24  -4.063   0.589  -0.819
  166    HA   GLN  24           HA       GLN  24  -6.116  -0.385  -2.559
  167   1HB   GLN  24          1HB       GLN  24  -3.657  -0.614  -2.937
  168   2HB   GLN  24          2HB       GLN  24  -3.633  -1.909  -1.733
  169   1HG   GLN  24          1HG       GLN  24  -5.080  -3.276  -3.108
  170   2HG   GLN  24          2HG       GLN  24  -5.472  -1.915  -4.169
  171   1HE2  GLN  24          2HE2      GLN  24  -3.311  -0.811  -5.172
  172   2HE2  GLN  24          1HE2      GLN  24  -2.220  -1.969  -5.862
  173    H    TYR  25           H        TYR  25  -4.889  -1.321   0.608
  174    HA   TYR  25           HA       TYR  25  -6.591  -3.577   0.983
  175   1HB   TYR  25          1HB       TYR  25  -4.562  -2.820   2.392
  176   2HB   TYR  25          2HB       TYR  25  -5.666  -1.714   3.202
  177    HD1  TYR  25           HD1      TYR  25  -6.647  -2.537   5.212
  178    HD2  TYR  25           HD2      TYR  25  -5.437  -5.316   2.146
  179    HE1  TYR  25           HE1      TYR  25  -7.454  -4.446   6.607
  180    HE2  TYR  25           HE2      TYR  25  -6.234  -7.202   3.529
  181    HH   TYR  25           HH       TYR  25  -7.463  -7.821   5.415
  182    H    LEU  26           H        LEU  26  -7.311  -0.151   1.035
  183    HA   LEU  26           HA       LEU  26  -9.947  -0.663   2.254
  184   1HB   LEU  26          1HB       LEU  26  -8.580   1.926   1.403
  185   2HB   LEU  26          2HB       LEU  26 -10.183   1.853   2.123
  186    HG   LEU  26           HG       LEU  26  -7.660   0.888   3.528
  187   1HD1  LEU  26          1HD1      LEU  26  -7.601   3.313   3.087
  188   2HD1  LEU  26          2HD1      LEU  26  -7.820   2.971   4.810
  189   3HD1  LEU  26          3HD1      LEU  26  -9.204   3.503   3.828
  190   1HD2  LEU  26          1HD2      LEU  26  -9.096   1.036   5.568
  191   2HD2  LEU  26          2HD2      LEU  26  -9.638  -0.198   4.437
  192   3HD2  LEU  26          3HD2      LEU  26 -10.501   1.359   4.534
  193    H    ASN  27           H        ASN  27  -8.590  -0.605  -0.777
  194    HA   ASN  27           HA       ASN  27 -11.181   0.065  -2.067
  195   1HB   ASN  27          1HB       ASN  27  -8.380   0.490  -2.832
  196   2HB   ASN  27          2HB       ASN  27  -9.191  -0.462  -4.053
  197   1HD2  ASN  27          2HD2      ASN  27  -8.279   2.552  -3.707
  198   2HD2  ASN  27          1HD2      ASN  27  -9.685   3.391  -4.344
  199    H    VAL  28           H        VAL  28  -9.112  -2.659  -1.466
  200    HA   VAL  28           HA       VAL  28 -10.832  -4.262  -3.292
  201    HB   VAL  28           HB       VAL  28  -8.260  -5.006  -1.853
  202   1HG1  VAL  28          1HG1      VAL  28  -9.877  -6.407  -4.036
  203   2HG1  VAL  28          2HG1      VAL  28  -8.197  -6.800  -3.704
  204   3HG1  VAL  28          3HG1      VAL  28  -9.416  -7.045  -2.446
  205   1HG2  VAL  28          1HG2      VAL  28  -8.781  -4.078  -4.699
  206   2HG2  VAL  28          2HG2      VAL  28  -7.803  -3.222  -3.490
  207   3HG2  VAL  28          3HG2      VAL  28  -7.225  -4.755  -4.143
  208    H    VAL  29           H        VAL  29 -10.527  -3.555   0.017
  209    HA   VAL  29           HA       VAL  29 -12.047  -6.048   0.712
  210    HB   VAL  29           HB       VAL  29 -10.697  -4.067   2.544
  211   1HG1  VAL  29          1HG1      VAL  29 -11.954  -6.780   3.085
  212   2HG1  VAL  29          2HG1      VAL  29 -10.971  -5.858   4.250
  213   3HG1  VAL  29          3HG1      VAL  29 -12.516  -5.208   3.698
  214   1HG2  VAL  29          1HG2      VAL  29  -9.799  -6.768   1.470
  215   2HG2  VAL  29          2HG2      VAL  29  -8.978  -5.217   1.261
  216   3HG2  VAL  29          3HG2      VAL  29  -9.038  -5.958   2.860
  217    H    THR  30           H        THR  30 -12.196  -2.582   1.509
  218    HA   THR  30           HA       THR  30 -14.866  -2.805   2.453
  219    HB   THR  30           HB       THR  30 -14.411  -0.155   1.505
  220    HG1  THR  30           HG1      THR  30 -12.292  -0.162   1.705
  221   1HG2  THR  30          1HG2      THR  30 -14.341   0.373   3.979
  222   2HG2  THR  30          2HG2      THR  30 -14.544  -1.371   4.275
  223   3HG2  THR  30          3HG2      THR  30 -15.782  -0.441   3.406
  224    H    ARG  31           H        ARG  31 -13.658  -2.450  -0.859
  225    HA   ARG  31           HA       ARG  31 -16.178  -1.660  -1.966
  226   1HB   ARG  31          1HB       ARG  31 -13.888  -1.456  -2.994
  227   2HB   ARG  31          2HB       ARG  31 -13.941  -3.192  -3.326
  228   1HG   ARG  31          1HG       ARG  31 -14.481  -2.040  -5.345
  229   2HG   ARG  31          2HG       ARG  31 -15.973  -2.765  -4.778
  230   1HD   ARG  31          1HD       ARG  31 -16.409  -0.515  -5.569
  231   2HD   ARG  31          2HD       ARG  31 -16.666  -0.563  -3.825
  232    HE   ARG  31           HE       ARG  31 -14.152   0.404  -5.142
  233   1HH1  ARG  31          1HH1      ARG  31 -16.843   1.224  -2.955
  234   2HH1  ARG  31          2HH1      ARG  31 -16.007   2.564  -2.239
  235   1HH2  ARG  31          1HH2      ARG  31 -12.977   2.028  -4.020
  236   2HH2  ARG  31          2HH2      ARG  31 -13.872   3.175  -3.078
  237    H    HIS  32           H        HIS  32 -15.200  -4.608  -0.582
  238    HA   HIS  32           HA       HIS  32 -17.256  -6.162  -2.057
  239   1HB   HIS  32          1HB       HIS  32 -14.640  -6.743  -1.821
  240   2HB   HIS  32          2HB       HIS  32 -15.192  -7.469  -0.314
  241    HD1  HIS  32           HD1      HIS  32 -17.955  -8.736  -1.384
  242    HD2  HIS  32           HD2      HIS  32 -14.270  -8.693  -3.430
  243    HE1  HIS  32           HE1      HIS  32 -18.086 -10.560  -3.144
  244    H    ARG  33           H        ARG  33 -16.419  -4.925   1.126
  245    HA   ARG  33           HA       ARG  33 -18.891  -6.261   2.167
  246   1HB   ARG  33          1HB       ARG  33 -17.878  -6.835   4.212
  247   2HB   ARG  33          2HB       ARG  33 -16.863  -7.455   2.916
  248   1HG   ARG  33          1HG       ARG  33 -15.218  -5.657   3.283
  249   2HG   ARG  33          2HG       ARG  33 -16.292  -4.870   4.431
  250   1HD   ARG  33          1HD       ARG  33 -14.827  -5.912   5.845
  251   2HD   ARG  33          2HD       ARG  33 -16.153  -7.064   5.813
  252    HE   ARG  33           HE       ARG  33 -13.416  -7.346   4.790
  253   1HH1  ARG  33          1HH1      ARG  33 -16.595  -8.954   5.038
  254   2HH1  ARG  33          2HH1      ARG  33 -16.030 -10.401   4.292
  255   1HH2  ARG  33          1HH2      ARG  33 -12.661  -9.319   4.191
  256   2HH2  ARG  33          2HH2      ARG  33 -13.705 -10.673   3.918
  257    H    TYR  34           H        TYR  34 -17.331  -3.153   1.858
  258    HA   TYR  34           HA       TYR  34 -17.569  -1.253   2.796
  259   1HB   TYR  34          1HB       TYR  34 -19.599  -1.664   1.321
  260   2HB   TYR  34          2HB       TYR  34 -20.529  -1.708   2.806
  261    HD1  TYR  34           HD1      TYR  34 -21.436   0.396   3.478
  262    HD2  TYR  34           HD2      TYR  34 -17.754   0.343   1.213
  263    HE1  TYR  34           HE1      TYR  34 -21.320   2.864   3.595
  264    HE2  TYR  34           HE2      TYR  34 -17.618   2.794   1.356
  265    HH   TYR  34           HH       TYR  34 -19.948   4.719   3.260
  266   1HN   NH2  35          1H        NH2  35 -16.683  -2.734   4.887
  267   2HN   NH2  35          2H        NH2  35 -17.405  -1.964   6.277
  268   2HN   ZAB  10          H         AZO  10  10.528  11.703  11.261
  269   2HA   ZAB  10          2HA       AZO  10  11.500  14.398  11.814
  270   3HA   ZAB  10          3HA       AZO  10  12.020  13.789  10.241
  271    HG2  ZAB  10           HG2      AZO  10   8.722  13.385  12.057
  272    HD2  ZAB  10           HD2      AZO  10   6.583  14.175  11.076
  273    HE   ZAB  10           HE       AZO  10   6.571  15.359   8.886
  274    HG1  ZAB  10           HG1      AZO  10  10.833  14.943   8.642
  275    HJ2  ZAB  10           HJ2      AZO  10  11.440  17.271   6.945
  276    HK2  ZAB  10           HK2      AZO  10  13.733  16.373   6.384
  277    HL   ZAB  10           HL       AZO  10  13.953  14.100   5.431
  278    HJ1  ZAB  10           HJ1      AZO  10   9.657  13.663   5.464
  279   2HM   ZAB  10          2HM       AZO  10  12.937  11.941   5.127
  280   3HM   ZAB  10          3HM       AZO  10  11.212  11.703   5.431
  Start of MODEL   20
    1   1H    GLY   1          H         GLY   1   9.215 -15.953  -0.326
    2   1HA   GLY   1          1HA       GLY   1   7.926 -17.544   1.027
    3   2HA   GLY   1          2HA       GLY   1   9.431 -17.969   1.846
    4    HA   PRO   2           HA       PRO   2   7.767 -14.734   4.539
    5   1HB   PRO   2          1HB       PRO   2   9.488 -14.985   6.642
    6   2HB   PRO   2          2HB       PRO   2   8.116 -16.096   6.328
    7   1HG   PRO   2          1HG       PRO   2  11.028 -16.517   5.700
    8   2HG   PRO   2          2HG       PRO   2   9.856 -17.674   6.370
    9   1HD   PRO   2          1HD       PRO   2  10.535 -17.597   3.686
   10   2HD   PRO   2          2HD       PRO   2   8.934 -18.132   4.268
   11    H    SER   3           H        SER   3   8.196 -12.939   3.374
   12    HA   SER   3           HA       SER   3  10.857 -12.018   2.701
   13   1HB   SER   3          1HB       SER   3   8.245 -10.531   2.216
   14   2HB   SER   3          2HB       SER   3   9.752 -10.479   1.290
   15    HG   SER   3           HG       SER   3   9.338 -12.647   0.696
   16    H    GLN   4           H        GLN   4   8.014 -10.363   4.041
   17    HA   GLN   4           HA       GLN   4   7.902  -8.538   5.392
   18   1HB   GLN   4          1HB       GLN   4   8.605 -10.856   7.239
   19   2HB   GLN   4          2HB       GLN   4   7.789  -9.380   7.712
   20   1HG   GLN   4          1HG       GLN   4   5.943 -10.651   7.367
   21   2HG   GLN   4          2HG       GLN   4   6.103 -10.038   5.734
   22   1HE2  GLN   4          2HE2      GLN   4   6.704 -12.785   7.889
   23   2HE2  GLN   4          1HE2      GLN   4   6.561 -14.018   6.668
   24    HA   PRO   5           HA       PRO   5  12.428  -7.611   6.022
   25   1HB   PRO   5          1HB       PRO   5  12.768  -5.512   4.327
   26   2HB   PRO   5          2HB       PRO   5  12.763  -7.197   3.730
   27   1HG   PRO   5          1HG       PRO   5  10.445  -5.232   3.768
   28   2HG   PRO   5          2HG       PRO   5  11.042  -6.205   2.385
   29   1HD   PRO   5          1HD       PRO   5   8.946  -7.013   3.960
   30   2HD   PRO   5          2HD       PRO   5  10.108  -8.176   3.250
   31    H    THR   6           H        THR   6  13.294  -5.264   6.646
   32    HA   THR   6           HA       THR   6  11.147  -3.689   7.953
   33    HB   THR   6           HB       THR   6  12.298  -5.340   9.423
   34    HG1  THR   6           HG1      THR   6  12.604  -2.910  10.682
   35   1HG2  THR   6          1HG2      THR   6  14.570  -3.322   9.491
   36   2HG2  THR   6          2HG2      THR   6  14.652  -4.931   8.740
   37   3HG2  THR   6          3HG2      THR   6  14.407  -4.778  10.489
   38    H    TYR   7           H        TYR   7  11.862  -1.611   8.584
   39    HA   TYR   7           HA       TYR   7  13.922  -0.382   6.778
   40   1HB   TYR   7          1HB       TYR   7  12.340   1.457   6.303
   41   2HB   TYR   7          2HB       TYR   7  11.829  -0.084   5.672
   42    HD1  TYR   7           HD1      TYR   7  10.899   2.744   7.720
   43    HD2  TYR   7           HD2      TYR   7   9.944  -1.386   6.839
   44    HE1  TYR   7           HE1      TYR   7   8.654   3.045   8.704
   45    HE2  TYR   7           HE2      TYR   7   7.714  -1.088   7.811
   46    HH   TYR   7           HH       TYR   7   6.266   0.372   8.929
   47    HA   PRO   8           HA       PRO   8  15.197   1.666  10.465
   48   1HB   PRO   8          1HB       PRO   8  16.224   4.084   9.602
   49   2HB   PRO   8          2HB       PRO   8  16.965   2.491   9.280
   50   1HG   PRO   8          1HG       PRO   8  15.097   4.071   7.471
   51   2HG   PRO   8          2HG       PRO   8  16.698   3.360   7.064
   52   1HD   PRO   8          1HD       PRO   8  14.427   2.042   6.478
   53   2HD   PRO   8          2HD       PRO   8  15.834   1.150   7.124
   54    H    GLY   9           H        GLY   9  12.267   2.269   9.504
   55   1HA   GLY   9          1HA       GLY   9  10.519   3.241  10.665
   56   2HA   GLY   9          2HA       GLY   9  11.648   4.236  11.581
   57    HA   PRO  11           HA       PRO  11  13.243   7.946  -1.095
   58   1HB   PRO  11          1HB       PRO  11  11.547   5.919  -0.381
   59   2HB   PRO  11          2HB       PRO  11  13.308   5.915  -0.129
   60   1HG   PRO  11          1HG       PRO  11  11.183   6.683   1.911
   61   2HG   PRO  11          2HG       PRO  11  12.575   5.578   2.117
   62   1HD   PRO  11          1HD       PRO  11  12.653   8.161   2.905
   63   2HD   PRO  11          2HD       PRO  11  14.087   7.406   2.154
   64    H    VAL  12           H        VAL  12  12.148   9.102  -2.482
   65    HA   VAL  12           HA       VAL  12   9.676  10.490  -1.975
   66    HB   VAL  12           HB       VAL  12  11.221   9.896  -4.551
   67   1HG1  VAL  12          1HG1      VAL  12   8.933  10.698  -5.053
   68   2HG1  VAL  12          2HG1      VAL  12   9.192  12.094  -3.979
   69   3HG1  VAL  12          3HG1      VAL  12  10.142  11.912  -5.469
   70   1HG2  VAL  12          1HG2      VAL  12  12.644  11.116  -2.930
   71   2HG2  VAL  12          2HG2      VAL  12  12.183  12.160  -4.261
   72   3HG2  VAL  12          3HG2      VAL  12  11.352  12.320  -2.706
   73    H    GLU  13           H        GLU  13  10.600   7.381  -3.417
   74    HA   GLU  13           HA       GLU  13   7.960   6.808  -4.517
   75   1HB   GLU  13          1HB       GLU  13  10.468   5.141  -4.122
   76   2HB   GLU  13          2HB       GLU  13   9.004   4.602  -4.960
   77   1HG   GLU  13          1HG       GLU  13   9.223   6.487  -6.577
   78   2HG   GLU  13          2HG       GLU  13  10.692   7.030  -5.770
   79    H    ASP  14           H        ASP  14   9.803   5.678  -1.639
   80    HA   ASP  14           HA       ASP  14   7.971   3.762  -0.747
   81   1HB   ASP  14          1HB       ASP  14  10.204   4.133   0.246
   82   2HB   ASP  14          2HB       ASP  14   9.626   5.672   0.887
   83    H    LEU  15           H        LEU  15   7.933   7.255  -0.291
   84    HA   LEU  15           HA       LEU  15   5.893   7.378   1.636
   85   1HB   LEU  15          1HB       LEU  15   7.374   9.242  -0.056
   86   2HB   LEU  15          2HB       LEU  15   5.692   9.715   0.026
   87    HG   LEU  15           HG       LEU  15   7.420   9.086   2.464
   88   1HD1  LEU  15          1HD1      LEU  15   7.559  11.499   2.820
   89   2HD1  LEU  15          2HD1      LEU  15   6.607  11.797   1.343
   90   3HD1  LEU  15          3HD1      LEU  15   8.228  11.064   1.235
   91   1HD2  LEU  15          1HD2      LEU  15   5.652  10.270   3.748
   92   2HD2  LEU  15          2HD2      LEU  15   5.013   8.836   2.979
   93   3HD2  LEU  15          3HD2      LEU  15   4.674  10.424   2.271
   94    H    ILE  16           H        ILE  16   5.746   6.860  -1.825
   95    HA   ILE  16           HA       ILE  16   2.821   7.218  -1.954
   96    HB   ILE  16           HB       ILE  16   4.778   6.372  -4.127
   97   1HG1  ILE  16          1HG1      ILE  16   5.477   8.557  -3.543
   98   2HG1  ILE  16          2HG1      ILE  16   4.581   8.643  -5.049
   99   1HG2  ILE  16          1HG2      ILE  16   2.501   5.693  -4.656
  100   2HG2  ILE  16          2HG2      ILE  16   1.882   7.312  -4.266
  101   3HG2  ILE  16          3HG2      ILE  16   2.943   7.069  -5.668
  102   1HD1  ILE  16          1HD1      ILE  16   2.590   9.500  -3.740
  103   2HD1  ILE  16          2HD1      ILE  16   3.644   9.529  -2.300
  104   3HD1  ILE  16          3HD1      ILE  16   4.020  10.550  -3.691
  105    H    ARG  17           H        ARG  17   5.345   4.667  -2.296
  106    HA   ARG  17           HA       ARG  17   3.582   2.583  -2.889
  107   1HB   ARG  17          1HB       ARG  17   6.219   2.456  -1.348
  108   2HB   ARG  17          2HB       ARG  17   5.394   1.032  -1.938
  109   1HG   ARG  17          1HG       ARG  17   6.427   3.203  -3.804
  110   2HG   ARG  17          2HG       ARG  17   7.388   1.831  -3.251
  111   1HD   ARG  17          1HD       ARG  17   5.573   0.310  -4.207
  112   2HD   ARG  17          2HD       ARG  17   4.882   1.757  -4.956
  113    HE   ARG  17           HE       ARG  17   7.692   0.796  -5.404
  114   1HH1  ARG  17          1HH1      ARG  17   4.567   1.352  -6.867
  115   2HH1  ARG  17          2HH1      ARG  17   5.140   1.598  -8.461
  116   1HH2  ARG  17          1HH2      ARG  17   8.573   1.133  -7.493
  117   2HH2  ARG  17          2HH2      ARG  17   7.526   1.381  -8.841
  118    H    PHE  18           H        PHE  18   4.721   3.420   0.420
  119    HA   PHE  18           HA       PHE  18   3.130   1.323   1.570
  120   1HB   PHE  18          1HB       PHE  18   4.991   2.381   2.734
  121   2HB   PHE  18          2HB       PHE  18   4.185   3.929   2.691
  122    HD1  PHE  18           HD1      PHE  18   4.207   4.412   5.016
  123    HD2  PHE  18           HD2      PHE  18   2.525   0.663   3.655
  124    HE1  PHE  18           HE1      PHE  18   3.260   4.003   7.263
  125    HE2  PHE  18           HE2      PHE  18   1.565   0.292   5.885
  126    HZ   PHE  18           HZ       PHE  18   1.913   1.985   7.701
  127    H    TYR  19           H        TYR  19   2.348   4.622   0.489
  128    HA   TYR  19           HA       TYR  19  -0.187   4.689   1.877
  129   1HB   TYR  19          1HB       TYR  19   1.319   6.527   0.376
  130   2HB   TYR  19          2HB       TYR  19  -0.145   6.331  -0.557
  131    HD1  TYR  19           HD1      TYR  19  -2.357   6.119   1.253
  132    HD2  TYR  19           HD2      TYR  19   1.279   8.404   1.741
  133    HE1  TYR  19           HE1      TYR  19  -3.512   7.614   2.849
  134    HE2  TYR  19           HE2      TYR  19   0.130   9.918   3.290
  135    HH   TYR  19           HH       TYR  19  -3.090   9.316   4.608
  136    H    ASN  20           H        ASN  20   0.850   3.852  -1.352
  137    HA   ASN  20           HA       ASN  20  -1.612   3.271  -2.642
  138   1HB   ASN  20          1HB       ASN  20   0.440   3.585  -3.853
  139   2HB   ASN  20          2HB       ASN  20   1.227   2.255  -3.022
  140   1HD2  ASN  20          2HD2      ASN  20   1.077   0.149  -3.880
  141   2HD2  ASN  20          1HD2      ASN  20   0.127  -0.119  -5.332
  142    H    ASP  21           H        ASP  21   0.383   1.464  -0.374
  143    HA   ASP  21           HA       ASP  21  -0.933  -1.095  -0.857
  144   1HB   ASP  21          1HB       ASP  21   1.440  -0.883   0.024
  145   2HB   ASP  21          2HB       ASP  21   0.777  -0.315   1.552
  146    H    LEU  22           H        LEU  22  -0.906   1.318   1.805
  147    HA   LEU  22           HA       LEU  22  -2.882   0.166   3.427
  148   1HB   LEU  22          1HB       LEU  22  -2.153   3.092   2.944
  149   2HB   LEU  22          2HB       LEU  22  -3.278   2.574   4.193
  150    HG   LEU  22           HG       LEU  22  -0.361   1.729   4.064
  151   1HD1  LEU  22          1HD1      LEU  22  -1.792   3.784   5.807
  152   2HD1  LEU  22          2HD1      LEU  22  -0.624   4.137   4.515
  153   3HD1  LEU  22          3HD1      LEU  22  -0.090   3.294   5.966
  154   1HD2  LEU  22          1HD2      LEU  22  -0.730   0.981   6.360
  155   2HD2  LEU  22          2HD2      LEU  22  -1.665   0.042   5.212
  156   3HD2  LEU  22          3HD2      LEU  22  -2.482   1.287   6.189
  157    H    GLN  23           H        GLN  23  -3.283   2.666   0.880
  158    HA   GLN  23           HA       GLN  23  -6.077   2.807   1.210
  159   1HB   GLN  23          1HB       GLN  23  -6.181   4.048  -0.829
  160   2HB   GLN  23          2HB       GLN  23  -4.694   4.504   0.012
  161   1HG   GLN  23          1HG       GLN  23  -3.449   2.900  -1.487
  162   2HG   GLN  23          2HG       GLN  23  -4.932   2.614  -2.376
  163   1HE2  GLN  23          2HE2      GLN  23  -5.647   4.154  -3.868
  164   2HE2  GLN  23          1HE2      GLN  23  -4.832   5.705  -4.143
  165    H    GLN  24           H        GLN  24  -4.145   0.435  -0.700
  166    HA   GLN  24           HA       GLN  24  -6.282  -0.509  -2.275
  167   1HB   GLN  24          1HB       GLN  24  -3.457  -1.079  -1.660
  168   2HB   GLN  24          2HB       GLN  24  -4.364  -2.539  -1.677
  169   1HG   GLN  24          1HG       GLN  24  -5.220  -2.030  -3.946
  170   2HG   GLN  24          2HG       GLN  24  -4.311  -0.505  -3.943
  171   1HE2  GLN  24          2HE2      GLN  24  -1.900  -0.816  -3.290
  172   2HE2  GLN  24          1HE2      GLN  24  -1.066  -2.264  -3.820
  173    H    TYR  25           H        TYR  25  -4.830  -1.466   0.799
  174    HA   TYR  25           HA       TYR  25  -6.594  -3.646   1.358
  175   1HB   TYR  25          1HB       TYR  25  -4.331  -3.265   2.370
  176   2HB   TYR  25          2HB       TYR  25  -4.994  -1.926   3.296
  177    HD1  TYR  25           HD1      TYR  25  -5.536  -2.401   5.520
  178    HD2  TYR  25           HD2      TYR  25  -5.756  -5.579   2.608
  179    HE1  TYR  25           HE1      TYR  25  -6.225  -3.959   7.294
  180    HE2  TYR  25           HE2      TYR  25  -6.475  -7.160   4.392
  181    HH   TYR  25           HH       TYR  25  -6.436  -6.322   7.790
  182    H    LEU  26           H        LEU  26  -7.381  -0.431   1.118
  183    HA   LEU  26           HA       LEU  26  -9.789  -0.817   2.790
  184   1HB   LEU  26          1HB       LEU  26  -8.219   1.740   2.243
  185   2HB   LEU  26          2HB       LEU  26  -9.745   1.665   3.143
  186    HG   LEU  26           HG       LEU  26  -7.208   0.221   4.020
  187   1HD1  LEU  26          1HD1      LEU  26  -6.771   2.624   4.005
  188   2HD1  LEU  26          2HD1      LEU  26  -6.947   2.031   5.668
  189   3HD1  LEU  26          3HD1      LEU  26  -8.275   2.932   4.909
  190   1HD2  LEU  26          1HD2      LEU  26  -8.385   0.196   6.219
  191   2HD2  LEU  26          2HD2      LEU  26  -9.232  -0.738   4.978
  192   3HD2  LEU  26          3HD2      LEU  26  -9.812   0.878   5.432
  193    H    ASN  27           H        ASN  27  -8.719  -0.609  -0.316
  194    HA   ASN  27           HA       ASN  27 -11.322   0.418  -1.295
  195   1HB   ASN  27          1HB       ASN  27  -8.522   0.668  -2.283
  196   2HB   ASN  27          2HB       ASN  27  -9.559  -0.011  -3.493
  197   1HD2  ASN  27          2HD2      ASN  27  -8.228   2.692  -3.387
  198   2HD2  ASN  27          1HD2      ASN  27  -9.582   3.774  -3.626
  199    H    VAL  28           H        VAL  28  -9.226  -2.347  -1.208
  200    HA   VAL  28           HA       VAL  28 -10.891  -3.782  -3.219
  201    HB   VAL  28           HB       VAL  28  -8.472  -4.662  -1.584
  202   1HG1  VAL  28          1HG1      VAL  28  -9.932  -6.031  -3.894
  203   2HG1  VAL  28          2HG1      VAL  28  -8.358  -6.543  -3.253
  204   3HG1  VAL  28          3HG1      VAL  28  -9.785  -6.624  -2.229
  205   1HG2  VAL  28          1HG2      VAL  28  -8.646  -3.893  -4.534
  206   2HG2  VAL  28          2HG2      VAL  28  -7.891  -2.906  -3.269
  207   3HG2  VAL  28          3HG2      VAL  28  -7.205  -4.473  -3.678
  208    H    VAL  29           H        VAL  29 -10.339  -3.407   0.223
  209    HA   VAL  29           HA       VAL  29 -11.762  -5.722   1.059
  210    HB   VAL  29           HB       VAL  29 -10.853  -3.177   2.418
  211   1HG1  VAL  29          1HG1      VAL  29 -11.462  -4.135   4.598
  212   2HG1  VAL  29          2HG1      VAL  29 -12.915  -3.819   3.660
  213   3HG1  VAL  29          3HG1      VAL  29 -12.296  -5.484   3.797
  214   1HG2  VAL  29          1HG2      VAL  29  -9.384  -4.807   3.607
  215   2HG2  VAL  29          2HG2      VAL  29 -10.138  -6.133   2.720
  216   3HG2  VAL  29          3HG2      VAL  29  -9.182  -4.904   1.848
  217    H    THR  30           H        THR  30 -12.789  -2.315   1.094
  218    HA   THR  30           HA       THR  30 -15.467  -2.795   1.691
  219    HB   THR  30           HB       THR  30 -15.671  -0.461   0.863
  220    HG1  THR  30           HG1      THR  30 -13.109   0.196   0.677
  221   1HG2  THR  30          1HG2      THR  30 -14.212   0.551   2.627
  222   2HG2  THR  30          2HG2      THR  30 -13.311  -0.970   2.768
  223   3HG2  THR  30          3HG2      THR  30 -15.030  -0.907   3.224
  224    H    ARG  31           H        ARG  31 -13.880  -2.372  -1.464
  225    HA   ARG  31           HA       ARG  31 -16.263  -2.388  -2.967
  226   1HB   ARG  31          1HB       ARG  31 -14.049  -1.639  -3.683
  227   2HB   ARG  31          2HB       ARG  31 -13.497  -3.322  -3.836
  228   1HG   ARG  31          1HG       ARG  31 -14.991  -3.636  -5.750
  229   2HG   ARG  31          2HG       ARG  31 -15.776  -2.075  -5.428
  230   1HD   ARG  31          1HD       ARG  31 -14.204  -1.708  -7.217
  231   2HD   ARG  31          2HD       ARG  31 -13.581  -0.922  -5.775
  232    HE   ARG  31           HE       ARG  31 -12.698  -3.657  -6.581
  233   1HH1  ARG  31          1HH1      ARG  31 -11.767  -0.234  -6.105
  234   2HH1  ARG  31          2HH1      ARG  31 -10.100  -0.534  -6.456
  235   1HH2  ARG  31          1HH2      ARG  31 -10.408  -4.050  -6.658
  236   2HH2  ARG  31          2HH2      ARG  31  -9.313  -2.701  -6.676
  237    H    HIS  32           H        HIS  32 -14.917  -5.052  -1.325
  238    HA   HIS  32           HA       HIS  32 -16.633  -6.952  -2.825
  239   1HB   HIS  32          1HB       HIS  32 -13.946  -7.250  -1.467
  240   2HB   HIS  32          2HB       HIS  32 -15.008  -8.626  -1.709
  241    HD1  HIS  32           HD1      HIS  32 -15.661  -9.251  -4.309
  242    HD2  HIS  32           HD2      HIS  32 -12.742  -6.256  -3.707
  243    HE1  HIS  32           HE1      HIS  32 -14.584  -8.826  -6.565
  244    H    ARG  33           H        ARG  33 -16.704  -5.117  -0.050
  245    HA   ARG  33           HA       ARG  33 -18.355  -7.192   1.314
  246   1HB   ARG  33          1HB       ARG  33 -16.182  -6.837   2.452
  247   2HB   ARG  33          2HB       ARG  33 -16.566  -5.131   2.654
  248   1HG   ARG  33          1HG       ARG  33 -16.951  -6.467   4.710
  249   2HG   ARG  33          2HG       ARG  33 -18.391  -5.638   4.160
  250   1HD   ARG  33          1HD       ARG  33 -18.894  -7.922   4.933
  251   2HD   ARG  33          2HD       ARG  33 -19.303  -7.712   3.239
  252    HE   ARG  33           HE       ARG  33 -16.696  -8.909   4.068
  253   1HH1  ARG  33          1HH1      ARG  33 -19.902  -9.410   2.497
  254   2HH1  ARG  33          2HH1      ARG  33 -19.473 -10.966   1.913
  255   1HH2  ARG  33          1HH2      ARG  33 -16.248 -11.083   3.335
  256   2HH2  ARG  33          2HH2      ARG  33 -17.506 -11.942   2.494
  257    H    TYR  34           H        TYR  34 -18.162  -3.786   0.268
  258    HA   TYR  34           HA       TYR  34 -20.821  -3.272   1.451
  259   1HB   TYR  34          1HB       TYR  34 -18.712  -1.835   1.888
  260   2HB   TYR  34          2HB       TYR  34 -18.869  -1.313   0.212
  261    HD1  TYR  34           HD1      TYR  34 -20.461   0.424  -0.353
  262    HD2  TYR  34           HD2      TYR  34 -20.564  -1.433   3.539
  263    HE1  TYR  34           HE1      TYR  34 -21.938   2.222   0.456
  264    HE2  TYR  34           HE2      TYR  34 -22.063   0.365   4.357
  265    HH   TYR  34           HH       TYR  34 -23.498   2.814   2.270
  266   1HN   NH2  35          1H        NH2  35 -19.718  -4.684  -1.329
  267   2HN   NH2  35          2H        NH2  35 -20.708  -3.905  -2.520
  268   2HN   ZAB  10          H         AZO  10  12.748   4.877   8.668
  269   2HA   ZAB  10          2HA       AZO  10  10.757   6.390   7.281
  270   3HA   ZAB  10          3HA       AZO  10  11.727   7.447   8.346
  271    HG2  ZAB  10           HG2      AZO  10  11.908   4.903   5.600
  272    HD2  ZAB  10           HD2      AZO  10  13.806   4.746   4.017
  273    HE   ZAB  10           HE       AZO  10  15.795   6.203   4.306
  274    HG1  ZAB  10           HG1      AZO  10  14.016   7.927   7.834
  275    HJ2  ZAB  10           HJ2      AZO  10  18.549   8.197   3.564
  276    HK2  ZAB  10           HK2      AZO  10  18.201   8.831   1.201
  277    HL   ZAB  10           HL       AZO  10  16.108   9.948   0.494
  278    HJ1  ZAB  10           HJ1      AZO  10  14.611   9.648   4.540
  279   2HM   ZAB  10          2HM       AZO  10  13.204  10.442   2.915
  280   3HM   ZAB  10          3HM       AZO  10  14.077  11.593   1.896